USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 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 61 TYR OH : rot 180:sc= -0.176 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0533 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 60:sc= 0.2 USER MOD Single : A 5 SER OG : rot 20:sc= 0.126 USER MOD Single : A 6 SER OG : rot 21:sc= 0.187 USER MOD Single : A 8 CYS SG : rot 180:sc=-0.00401 USER MOD Single : A 14 TYR OH : rot 15:sc= -1.18 USER MOD Single : A 17 GLN : amide:sc= -1.15 K(o=-1.2,f=-1.9) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.985 K(o=-0.98,f=-0.1) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= -0.403 (180deg=-1.55!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.3!) USER MOD Single : A 53 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-5.62e-05 X(o=-5.6e-05,f=-0.48) USER MOD Single : A 59 MET CE :methyl 175:sc= -4.63! (180deg=-4.8!) USER MOD Single : A 60 THR OG1 : rot 179:sc= -0.621 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -174:sc= -0.0029 (180deg=-0.0308) USER MOD Single : A 70 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-3.1) USER MOD Single : A 71 TYR OH : rot -55:sc= -1.58! USER MOD Single : A 72 TYR OH : rot -36:sc= -0.103 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.31 K(o=-1.3,f=0.21) USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 0.299 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.15 K(o=-1.2,f=-5.4!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -24:sc= 0.488 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 16:sc= 0.522 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.680 9.028 11.576 1.00 0.00 N ATOM 2 CA GLY A 1 -28.880 9.121 13.010 1.00 0.00 C ATOM 3 C GLY A 1 -27.751 9.854 13.707 1.00 0.00 C ATOM 4 O GLY A 1 -26.639 9.935 13.185 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.335 9.675 11.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.700 9.289 11.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.861 8.053 11.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.820 9.635 13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.970 8.118 13.427 1.00 0.00 H new ATOM 8 N SER A 2 -28.036 10.390 14.889 1.00 0.00 N ATOM 9 CA SER A 2 -27.037 11.125 15.656 1.00 0.00 C ATOM 10 C SER A 2 -26.483 10.267 16.789 1.00 0.00 C ATOM 11 O SER A 2 -26.309 10.740 17.912 1.00 0.00 O ATOM 12 CB SER A 2 -27.643 12.410 16.223 1.00 0.00 C ATOM 13 OG SER A 2 -26.641 13.382 16.467 1.00 0.00 O ATOM 0 H SER A 2 -28.951 10.329 15.337 1.00 0.00 H new ATOM 0 HA SER A 2 -26.217 11.383 14.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.378 12.809 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.172 12.188 17.150 1.00 0.00 H new ATOM 0 HG SER A 2 -27.054 14.194 16.828 1.00 0.00 H new ATOM 19 N SER A 3 -26.209 9.003 16.486 1.00 0.00 N ATOM 20 CA SER A 3 -25.678 8.076 17.479 1.00 0.00 C ATOM 21 C SER A 3 -24.153 8.049 17.437 1.00 0.00 C ATOM 22 O SER A 3 -23.537 6.987 17.515 1.00 0.00 O ATOM 23 CB SER A 3 -26.231 6.670 17.243 1.00 0.00 C ATOM 24 OG SER A 3 -25.671 6.091 16.076 1.00 0.00 O ATOM 0 H SER A 3 -26.346 8.597 15.561 1.00 0.00 H new ATOM 0 HA SER A 3 -25.991 8.421 18.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.013 6.040 18.106 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.316 6.714 17.146 1.00 0.00 H new ATOM 0 HG SER A 3 -24.698 6.027 16.177 1.00 0.00 H new ATOM 30 N GLY A 4 -23.550 9.227 17.312 1.00 0.00 N ATOM 31 CA GLY A 4 -22.102 9.318 17.261 1.00 0.00 C ATOM 32 C GLY A 4 -21.624 10.580 16.571 1.00 0.00 C ATOM 33 O GLY A 4 -21.873 11.688 17.047 1.00 0.00 O ATOM 0 H GLY A 4 -24.038 10.120 17.245 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.703 9.289 18.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.705 8.449 16.737 1.00 0.00 H new ATOM 37 N SER A 5 -20.934 10.414 15.447 1.00 0.00 N ATOM 38 CA SER A 5 -20.414 11.549 14.694 1.00 0.00 C ATOM 39 C SER A 5 -20.163 11.166 13.239 1.00 0.00 C ATOM 40 O SER A 5 -19.541 10.144 12.953 1.00 0.00 O ATOM 41 CB SER A 5 -19.120 12.061 15.329 1.00 0.00 C ATOM 42 OG SER A 5 -18.097 11.082 15.261 1.00 0.00 O ATOM 0 H SER A 5 -20.722 9.504 15.038 1.00 0.00 H new ATOM 0 HA SER A 5 -21.161 12.343 14.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.795 12.968 14.819 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.303 12.329 16.370 1.00 0.00 H new ATOM 0 HG SER A 5 -18.319 10.424 14.569 1.00 0.00 H new ATOM 48 N SER A 6 -20.653 11.995 12.322 1.00 0.00 N ATOM 49 CA SER A 6 -20.486 11.743 10.896 1.00 0.00 C ATOM 50 C SER A 6 -19.472 12.707 10.289 1.00 0.00 C ATOM 51 O SER A 6 -19.540 13.916 10.507 1.00 0.00 O ATOM 52 CB SER A 6 -21.828 11.874 10.173 1.00 0.00 C ATOM 53 OG SER A 6 -22.303 13.208 10.216 1.00 0.00 O ATOM 0 H SER A 6 -21.169 12.847 12.542 1.00 0.00 H new ATOM 0 HA SER A 6 -20.113 10.726 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.718 11.557 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.559 11.209 10.634 1.00 0.00 H new ATOM 0 HG SER A 6 -21.554 13.816 10.388 1.00 0.00 H new ATOM 59 N GLY A 7 -18.531 12.163 9.524 1.00 0.00 N ATOM 60 CA GLY A 7 -17.515 12.988 8.896 1.00 0.00 C ATOM 61 C GLY A 7 -16.233 13.042 9.702 1.00 0.00 C ATOM 62 O GLY A 7 -15.138 12.940 9.147 1.00 0.00 O ATOM 0 H GLY A 7 -18.454 11.165 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.299 12.599 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.902 13.999 8.766 1.00 0.00 H new ATOM 66 N CYS A 8 -16.367 13.204 11.014 1.00 0.00 N ATOM 67 CA CYS A 8 -15.208 13.274 11.897 1.00 0.00 C ATOM 68 C CYS A 8 -14.428 11.964 11.877 1.00 0.00 C ATOM 69 O CYS A 8 -14.675 11.070 12.686 1.00 0.00 O ATOM 70 CB CYS A 8 -15.650 13.596 13.326 1.00 0.00 C ATOM 71 SG CYS A 8 -14.307 13.573 14.536 1.00 0.00 S ATOM 0 H CYS A 8 -17.266 13.289 11.489 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.555 14.069 11.537 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -16.118 14.580 13.337 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.411 12.878 13.630 1.00 0.00 H new ATOM 0 HG CYS A 8 -14.779 13.859 15.713 1.00 0.00 H new ATOM 77 N ARG A 9 -13.487 11.856 10.944 1.00 0.00 N ATOM 78 CA ARG A 9 -12.673 10.654 10.816 1.00 0.00 C ATOM 79 C ARG A 9 -11.247 11.004 10.402 1.00 0.00 C ATOM 80 O ARG A 9 -11.011 11.478 9.290 1.00 0.00 O ATOM 81 CB ARG A 9 -13.293 9.699 9.793 1.00 0.00 C ATOM 82 CG ARG A 9 -14.741 9.345 10.089 1.00 0.00 C ATOM 83 CD ARG A 9 -15.090 7.956 9.578 1.00 0.00 C ATOM 84 NE ARG A 9 -14.807 6.921 10.569 1.00 0.00 N ATOM 85 CZ ARG A 9 -14.780 5.623 10.288 1.00 0.00 C ATOM 86 NH1 ARG A 9 -15.016 5.204 9.053 1.00 0.00 N ATOM 87 NH2 ARG A 9 -14.515 4.742 11.244 1.00 0.00 N ATOM 0 H ARG A 9 -13.270 12.587 10.266 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.640 10.163 11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.234 10.152 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.703 8.783 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.916 9.393 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.399 10.080 9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.146 7.923 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.525 7.752 8.669 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.620 7.211 11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.219 5.879 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.995 4.207 8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.332 5.061 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.494 3.745 11.028 1.00 0.00 H new ATOM 101 N LEU A 10 -10.300 10.769 11.303 1.00 0.00 N ATOM 102 CA LEU A 10 -8.896 11.060 11.032 1.00 0.00 C ATOM 103 C LEU A 10 -8.375 10.204 9.882 1.00 0.00 C ATOM 104 O LEU A 10 -9.119 9.423 9.288 1.00 0.00 O ATOM 105 CB LEU A 10 -8.054 10.818 12.285 1.00 0.00 C ATOM 106 CG LEU A 10 -8.223 11.835 13.414 1.00 0.00 C ATOM 107 CD1 LEU A 10 -9.335 11.405 14.358 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.916 12.012 14.173 1.00 0.00 C ATOM 0 H LEU A 10 -10.478 10.378 12.228 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.816 12.109 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.295 9.829 12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.004 10.799 11.994 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.498 12.794 12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.441 12.141 15.155 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.272 11.331 13.806 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.090 10.435 14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.055 12.739 14.973 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.611 11.057 14.600 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.144 12.367 13.490 1.00 0.00 H new ATOM 120 N LEU A 11 -7.092 10.356 9.574 1.00 0.00 N ATOM 121 CA LEU A 11 -6.469 9.595 8.496 1.00 0.00 C ATOM 122 C LEU A 11 -5.789 8.341 9.036 1.00 0.00 C ATOM 123 O LEU A 11 -6.211 7.221 8.750 1.00 0.00 O ATOM 124 CB LEU A 11 -5.450 10.463 7.755 1.00 0.00 C ATOM 125 CG LEU A 11 -4.346 9.713 7.008 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.946 8.740 6.005 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.413 10.693 6.312 1.00 0.00 C ATOM 0 H LEU A 11 -6.463 10.999 10.055 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.251 9.290 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.986 11.087 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.982 11.134 8.475 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.766 9.142 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.145 8.216 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.572 8.018 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.551 9.289 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.634 10.142 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.980 11.291 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.956 11.349 7.053 1.00 0.00 H new ATOM 139 N TRP A 12 -4.735 8.538 9.821 1.00 0.00 N ATOM 140 CA TRP A 12 -3.997 7.423 10.403 1.00 0.00 C ATOM 141 C TRP A 12 -4.940 6.287 10.785 1.00 0.00 C ATOM 142 O TRP A 12 -4.606 5.112 10.629 1.00 0.00 O ATOM 143 CB TRP A 12 -3.217 7.889 11.633 1.00 0.00 C ATOM 144 CG TRP A 12 -4.069 8.039 12.857 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.103 8.914 13.033 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.960 7.294 14.074 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.643 8.758 14.287 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.960 7.770 14.945 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.116 6.270 14.513 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.136 7.256 16.227 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.292 5.762 15.786 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.295 6.255 16.631 1.00 0.00 C ATOM 0 H TRP A 12 -4.373 9.459 10.069 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.296 7.053 9.655 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.419 7.176 11.840 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.741 8.844 11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.446 9.624 12.295 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.425 9.291 14.666 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.340 5.883 13.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.909 7.634 16.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.645 4.971 16.136 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.407 5.837 17.620 1.00 0.00 H new ATOM 163 N ASP A 13 -6.118 6.644 11.284 1.00 0.00 N ATOM 164 CA ASP A 13 -7.110 5.653 11.686 1.00 0.00 C ATOM 165 C ASP A 13 -7.836 5.086 10.470 1.00 0.00 C ATOM 166 O ASP A 13 -8.091 3.884 10.392 1.00 0.00 O ATOM 167 CB ASP A 13 -8.119 6.274 12.654 1.00 0.00 C ATOM 168 CG ASP A 13 -9.232 5.314 13.024 1.00 0.00 C ATOM 169 OD1 ASP A 13 -9.741 4.620 12.119 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.596 5.257 14.217 1.00 0.00 O ATOM 0 H ASP A 13 -6.410 7.612 11.420 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.590 4.838 12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.602 6.592 13.559 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.549 7.168 12.202 1.00 0.00 H new ATOM 175 N TYR A 14 -8.166 5.958 9.524 1.00 0.00 N ATOM 176 CA TYR A 14 -8.865 5.545 8.314 1.00 0.00 C ATOM 177 C TYR A 14 -8.262 4.264 7.746 1.00 0.00 C ATOM 178 O TYR A 14 -8.919 3.526 7.012 1.00 0.00 O ATOM 179 CB TYR A 14 -8.811 6.656 7.264 1.00 0.00 C ATOM 180 CG TYR A 14 -9.130 6.183 5.864 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.441 5.934 5.476 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.121 5.983 4.930 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.738 5.501 4.198 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.409 5.551 3.650 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.718 5.311 3.288 1.00 0.00 C ATOM 186 OH TYR A 14 -10.008 4.879 2.014 1.00 0.00 O ATOM 0 H TYR A 14 -7.960 6.956 9.572 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.905 5.351 8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.514 7.441 7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.816 7.102 7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.242 6.082 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.094 6.168 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.762 5.312 3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.613 5.402 2.936 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.967 4.983 1.844 1.00 0.00 H new ATOM 196 N VAL A 15 -7.005 4.005 8.093 1.00 0.00 N ATOM 197 CA VAL A 15 -6.311 2.813 7.621 1.00 0.00 C ATOM 198 C VAL A 15 -7.002 1.545 8.110 1.00 0.00 C ATOM 199 O VAL A 15 -7.593 0.804 7.324 1.00 0.00 O ATOM 200 CB VAL A 15 -4.843 2.796 8.086 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.094 1.636 7.449 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.167 4.120 7.761 1.00 0.00 C ATOM 0 H VAL A 15 -6.446 4.605 8.700 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.339 2.842 6.532 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.824 2.659 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.059 1.641 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.566 0.696 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.120 1.738 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.130 4.091 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.196 4.289 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.690 4.930 8.269 1.00 0.00 H new ATOM 212 N TYR A 16 -6.925 1.302 9.414 1.00 0.00 N ATOM 213 CA TYR A 16 -7.541 0.122 10.009 1.00 0.00 C ATOM 214 C TYR A 16 -8.852 -0.220 9.307 1.00 0.00 C ATOM 215 O TYR A 16 -8.994 -1.295 8.725 1.00 0.00 O ATOM 216 CB TYR A 16 -7.793 0.350 11.500 1.00 0.00 C ATOM 217 CG TYR A 16 -7.789 -0.923 12.316 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.602 -1.590 12.593 1.00 0.00 C ATOM 219 CD2 TYR A 16 -8.972 -1.459 12.810 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.593 -2.754 13.337 1.00 0.00 C ATOM 221 CE2 TYR A 16 -8.972 -2.621 13.557 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.781 -3.265 13.818 1.00 0.00 C ATOM 223 OH TYR A 16 -7.777 -4.424 14.560 1.00 0.00 O ATOM 0 H TYR A 16 -6.442 1.906 10.079 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.855 -0.716 9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.030 1.024 11.890 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.754 0.849 11.625 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.670 -1.191 12.220 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.907 -0.959 12.607 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.661 -3.261 13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.900 -3.023 13.935 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.694 -4.647 14.823 1.00 0.00 H new ATOM 233 N GLN A 17 -9.806 0.703 9.367 1.00 0.00 N ATOM 234 CA GLN A 17 -11.106 0.499 8.737 1.00 0.00 C ATOM 235 C GLN A 17 -10.957 -0.226 7.404 1.00 0.00 C ATOM 236 O GLN A 17 -11.743 -1.116 7.078 1.00 0.00 O ATOM 237 CB GLN A 17 -11.810 1.841 8.526 1.00 0.00 C ATOM 238 CG GLN A 17 -12.109 2.581 9.820 1.00 0.00 C ATOM 239 CD GLN A 17 -13.123 1.859 10.685 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.921 1.062 10.191 1.00 0.00 O ATOM 241 NE2 GLN A 17 -13.096 2.134 11.984 1.00 0.00 N ATOM 0 H GLN A 17 -9.704 1.598 9.845 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.710 -0.120 9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.188 2.472 7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.744 1.672 7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.184 2.710 10.382 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.482 3.578 9.586 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.417 2.802 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.754 1.678 12.616 1.00 0.00 H new ATOM 250 N LEU A 18 -9.944 0.161 6.636 1.00 0.00 N ATOM 251 CA LEU A 18 -9.692 -0.452 5.336 1.00 0.00 C ATOM 252 C LEU A 18 -9.215 -1.892 5.496 1.00 0.00 C ATOM 253 O LEU A 18 -9.805 -2.818 4.938 1.00 0.00 O ATOM 254 CB LEU A 18 -8.652 0.359 4.561 1.00 0.00 C ATOM 255 CG LEU A 18 -9.059 1.782 4.178 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.874 2.538 3.597 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.215 1.758 3.189 1.00 0.00 C ATOM 0 H LEU A 18 -9.284 0.896 6.891 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.628 -0.459 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.742 0.411 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.403 -0.184 3.649 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.388 2.300 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.183 3.549 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.075 2.586 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.514 2.022 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.491 2.779 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.913 1.222 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.070 1.255 3.641 1.00 0.00 H new ATOM 269 N LEU A 19 -8.146 -2.073 6.263 1.00 0.00 N ATOM 270 CA LEU A 19 -7.591 -3.401 6.500 1.00 0.00 C ATOM 271 C LEU A 19 -8.701 -4.432 6.680 1.00 0.00 C ATOM 272 O LEU A 19 -8.762 -5.426 5.957 1.00 0.00 O ATOM 273 CB LEU A 19 -6.688 -3.386 7.735 1.00 0.00 C ATOM 274 CG LEU A 19 -5.235 -2.975 7.499 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.688 -3.643 6.246 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.118 -1.462 7.392 1.00 0.00 C ATOM 0 H LEU A 19 -7.646 -1.317 6.731 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.999 -3.680 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.122 -2.707 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.696 -4.382 8.178 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.642 -3.306 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.652 -3.339 6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.735 -4.726 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.284 -3.344 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.076 -1.189 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.725 -1.108 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.469 -1.004 8.317 1.00 0.00 H new ATOM 288 N SER A 20 -9.579 -4.185 7.647 1.00 0.00 N ATOM 289 CA SER A 20 -10.686 -5.093 7.924 1.00 0.00 C ATOM 290 C SER A 20 -11.397 -5.491 6.633 1.00 0.00 C ATOM 291 O SER A 20 -11.501 -6.674 6.309 1.00 0.00 O ATOM 292 CB SER A 20 -11.681 -4.439 8.885 1.00 0.00 C ATOM 293 OG SER A 20 -12.751 -5.318 9.188 1.00 0.00 O ATOM 0 H SER A 20 -9.545 -3.364 8.251 1.00 0.00 H new ATOM 0 HA SER A 20 -10.280 -5.992 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.169 -4.153 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.073 -3.524 8.441 1.00 0.00 H new ATOM 0 HG SER A 20 -13.372 -4.877 9.805 1.00 0.00 H new ATOM 299 N ASP A 21 -11.883 -4.495 5.902 1.00 0.00 N ATOM 300 CA ASP A 21 -12.583 -4.740 4.646 1.00 0.00 C ATOM 301 C ASP A 21 -11.622 -5.255 3.579 1.00 0.00 C ATOM 302 O ASP A 21 -10.923 -4.476 2.931 1.00 0.00 O ATOM 303 CB ASP A 21 -13.266 -3.461 4.160 1.00 0.00 C ATOM 304 CG ASP A 21 -14.481 -3.100 4.993 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.578 -3.617 4.696 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.333 -2.303 5.942 1.00 0.00 O ATOM 0 H ASP A 21 -11.806 -3.510 6.157 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.341 -5.502 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.552 -2.638 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.567 -3.586 3.120 1.00 0.00 H new ATOM 311 N SER A 22 -11.591 -6.572 3.404 1.00 0.00 N ATOM 312 CA SER A 22 -10.712 -7.192 2.420 1.00 0.00 C ATOM 313 C SER A 22 -10.916 -6.571 1.041 1.00 0.00 C ATOM 314 O SER A 22 -10.003 -6.550 0.216 1.00 0.00 O ATOM 315 CB SER A 22 -10.966 -8.699 2.355 1.00 0.00 C ATOM 316 OG SER A 22 -12.243 -8.978 1.808 1.00 0.00 O ATOM 0 H SER A 22 -12.165 -7.230 3.931 1.00 0.00 H new ATOM 0 HA SER A 22 -9.682 -7.017 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.195 -9.175 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.894 -9.127 3.355 1.00 0.00 H new ATOM 0 HG SER A 22 -12.380 -9.948 1.776 1.00 0.00 H new ATOM 322 N ARG A 23 -12.121 -6.065 0.800 1.00 0.00 N ATOM 323 CA ARG A 23 -12.447 -5.444 -0.478 1.00 0.00 C ATOM 324 C ARG A 23 -11.442 -4.349 -0.823 1.00 0.00 C ATOM 325 O ARG A 23 -11.351 -3.915 -1.971 1.00 0.00 O ATOM 326 CB ARG A 23 -13.860 -4.860 -0.440 1.00 0.00 C ATOM 327 CG ARG A 23 -14.952 -5.913 -0.346 1.00 0.00 C ATOM 328 CD ARG A 23 -16.323 -5.280 -0.162 1.00 0.00 C ATOM 329 NE ARG A 23 -17.396 -6.151 -0.631 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.662 -5.764 -0.743 1.00 0.00 C ATOM 331 NH1 ARG A 23 -19.010 -4.525 -0.421 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.582 -6.615 -1.177 1.00 0.00 N ATOM 0 H ARG A 23 -12.888 -6.073 1.473 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.400 -6.213 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.943 -4.186 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.021 -4.261 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.950 -6.522 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.744 -6.581 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.477 -5.050 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.361 -4.335 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.161 -7.110 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.305 -3.868 -0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.982 -4.230 -0.508 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.318 -7.568 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.553 -6.316 -1.262 1.00 0.00 H new ATOM 346 N TYR A 24 -10.689 -3.908 0.179 1.00 0.00 N ATOM 347 CA TYR A 24 -9.692 -2.862 -0.018 1.00 0.00 C ATOM 348 C TYR A 24 -8.280 -3.425 0.110 1.00 0.00 C ATOM 349 O TYR A 24 -7.353 -2.719 0.505 1.00 0.00 O ATOM 350 CB TYR A 24 -9.898 -1.736 0.997 1.00 0.00 C ATOM 351 CG TYR A 24 -11.215 -1.010 0.837 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.422 -1.671 1.030 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.252 0.335 0.492 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.628 -1.012 0.884 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.453 1.002 0.346 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.638 0.324 0.543 1.00 0.00 C ATOM 357 OH TYR A 24 -14.836 0.985 0.396 1.00 0.00 O ATOM 0 H TYR A 24 -10.750 -4.258 1.135 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.814 -2.462 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.841 -2.151 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.083 -1.018 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.418 -2.717 1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.326 0.868 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.557 -1.541 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.464 2.048 0.079 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.666 1.920 0.155 1.00 0.00 H new ATOM 367 N GLU A 25 -8.126 -4.701 -0.228 1.00 0.00 N ATOM 368 CA GLU A 25 -6.827 -5.359 -0.152 1.00 0.00 C ATOM 369 C GLU A 25 -5.882 -4.825 -1.224 1.00 0.00 C ATOM 370 O GLU A 25 -4.740 -4.468 -0.938 1.00 0.00 O ATOM 371 CB GLU A 25 -6.987 -6.873 -0.306 1.00 0.00 C ATOM 372 CG GLU A 25 -7.215 -7.598 1.010 1.00 0.00 C ATOM 373 CD GLU A 25 -7.358 -9.098 0.832 1.00 0.00 C ATOM 374 OE1 GLU A 25 -6.802 -9.635 -0.148 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.027 -9.733 1.674 1.00 0.00 O ATOM 0 H GLU A 25 -8.884 -5.299 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.397 -5.144 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.825 -7.075 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.095 -7.277 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.382 -7.393 1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.113 -7.205 1.486 1.00 0.00 H new ATOM 382 N ASN A 26 -6.368 -4.774 -2.460 1.00 0.00 N ATOM 383 CA ASN A 26 -5.567 -4.284 -3.576 1.00 0.00 C ATOM 384 C ASN A 26 -4.953 -2.926 -3.251 1.00 0.00 C ATOM 385 O ASN A 26 -3.826 -2.631 -3.649 1.00 0.00 O ATOM 386 CB ASN A 26 -6.425 -4.180 -4.839 1.00 0.00 C ATOM 387 CG ASN A 26 -7.401 -5.332 -4.972 1.00 0.00 C ATOM 388 OD1 ASN A 26 -7.084 -6.364 -5.565 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.596 -5.162 -4.419 1.00 0.00 N ATOM 0 H ASN A 26 -7.312 -5.066 -2.714 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.759 -4.995 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.977 -3.240 -4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.776 -4.154 -5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.294 -5.903 -4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.816 -4.290 -3.937 1.00 0.00 H new ATOM 396 N PHE A 27 -5.702 -2.103 -2.526 1.00 0.00 N ATOM 397 CA PHE A 27 -5.232 -0.775 -2.147 1.00 0.00 C ATOM 398 C PHE A 27 -4.314 -0.850 -0.931 1.00 0.00 C ATOM 399 O PHE A 27 -3.263 -0.209 -0.893 1.00 0.00 O ATOM 400 CB PHE A 27 -6.419 0.143 -1.848 1.00 0.00 C ATOM 401 CG PHE A 27 -7.181 0.556 -3.074 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.534 1.170 -4.134 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.545 0.332 -3.167 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.232 1.551 -5.264 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.249 0.710 -4.294 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.592 1.322 -5.344 1.00 0.00 C ATOM 0 H PHE A 27 -6.637 -2.332 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.666 -0.365 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.097 -0.365 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.058 1.035 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.471 1.353 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.064 -0.144 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.715 2.027 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.312 0.527 -4.354 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.140 1.621 -6.225 1.00 0.00 H new ATOM 416 N ILE A 28 -4.718 -1.636 0.061 1.00 0.00 N ATOM 417 CA ILE A 28 -3.931 -1.795 1.278 1.00 0.00 C ATOM 418 C ILE A 28 -4.318 -3.071 2.019 1.00 0.00 C ATOM 419 O ILE A 28 -5.498 -3.403 2.131 1.00 0.00 O ATOM 420 CB ILE A 28 -4.107 -0.592 2.223 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.271 -0.784 3.490 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.576 -0.406 2.575 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.198 0.451 4.360 1.00 0.00 C ATOM 0 H ILE A 28 -5.585 -2.173 0.046 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.886 -1.857 0.973 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.758 0.306 1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.692 -1.604 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.261 -1.079 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.685 0.448 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.149 -0.229 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.948 -1.303 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.590 0.241 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.749 1.268 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.203 0.735 4.673 1.00 0.00 H new ATOM 435 N ARG A 29 -3.315 -3.781 2.526 1.00 0.00 N ATOM 436 CA ARG A 29 -3.549 -5.020 3.258 1.00 0.00 C ATOM 437 C ARG A 29 -2.519 -5.199 4.369 1.00 0.00 C ATOM 438 O ARG A 29 -1.443 -4.601 4.333 1.00 0.00 O ATOM 439 CB ARG A 29 -3.501 -6.216 2.305 1.00 0.00 C ATOM 440 CG ARG A 29 -2.171 -6.369 1.586 1.00 0.00 C ATOM 441 CD ARG A 29 -2.277 -7.336 0.417 1.00 0.00 C ATOM 442 NE ARG A 29 -2.258 -8.729 0.855 1.00 0.00 N ATOM 443 CZ ARG A 29 -1.207 -9.305 1.428 1.00 0.00 C ATOM 444 NH1 ARG A 29 -0.096 -8.611 1.631 1.00 0.00 N ATOM 445 NH2 ARG A 29 -1.267 -10.577 1.799 1.00 0.00 N ATOM 0 H ARG A 29 -2.333 -3.519 2.443 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.539 -4.964 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.707 -7.127 2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.295 -6.112 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.837 -5.396 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.416 -6.725 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.198 -7.141 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.452 -7.162 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.098 -9.290 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.047 -7.633 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.710 -9.055 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.121 -11.114 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.460 -11.019 2.239 1.00 0.00 H new ATOM 459 N TRP A 30 -2.856 -6.023 5.353 1.00 0.00 N ATOM 460 CA TRP A 30 -1.960 -6.280 6.475 1.00 0.00 C ATOM 461 C TRP A 30 -0.660 -6.918 5.999 1.00 0.00 C ATOM 462 O TRP A 30 -0.675 -7.857 5.203 1.00 0.00 O ATOM 463 CB TRP A 30 -2.641 -7.186 7.502 1.00 0.00 C ATOM 464 CG TRP A 30 -3.498 -6.438 8.478 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.843 -6.583 8.666 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.069 -5.428 9.397 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.275 -5.723 9.647 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.206 -5.004 10.112 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.834 -4.841 9.687 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.143 -4.021 11.096 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.773 -3.865 10.664 1.00 0.00 C ATOM 472 CH2 TRP A 30 -2.921 -3.464 11.359 1.00 0.00 C ATOM 0 H TRP A 30 -3.743 -6.525 5.398 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.724 -5.325 6.944 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.254 -7.920 6.979 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.878 -7.740 8.049 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.474 -7.272 8.124 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.237 -5.634 9.976 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.943 -5.145 9.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.027 -3.709 11.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.824 -3.404 10.895 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.840 -2.700 12.118 1.00 0.00 H new ATOM 483 N GLU A 31 0.463 -6.404 6.491 1.00 0.00 N ATOM 484 CA GLU A 31 1.771 -6.926 6.114 1.00 0.00 C ATOM 485 C GLU A 31 2.231 -8.003 7.093 1.00 0.00 C ATOM 486 O GLU A 31 2.518 -9.133 6.699 1.00 0.00 O ATOM 487 CB GLU A 31 2.800 -5.795 6.063 1.00 0.00 C ATOM 488 CG GLU A 31 4.064 -6.156 5.300 1.00 0.00 C ATOM 489 CD GLU A 31 3.812 -7.168 4.199 1.00 0.00 C ATOM 490 OE1 GLU A 31 3.792 -8.379 4.500 1.00 0.00 O ATOM 491 OE2 GLU A 31 3.635 -6.747 3.037 1.00 0.00 O ATOM 0 H GLU A 31 0.493 -5.627 7.151 1.00 0.00 H new ATOM 0 HA GLU A 31 1.683 -7.374 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.343 -4.920 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.068 -5.513 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.493 -5.252 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.801 -6.557 5.995 1.00 0.00 H new ATOM 498 N ASP A 32 2.298 -7.643 8.370 1.00 0.00 N ATOM 499 CA ASP A 32 2.722 -8.577 9.406 1.00 0.00 C ATOM 500 C ASP A 32 1.803 -8.495 10.621 1.00 0.00 C ATOM 501 O ASP A 32 2.183 -7.968 11.666 1.00 0.00 O ATOM 502 CB ASP A 32 4.166 -8.290 9.822 1.00 0.00 C ATOM 503 CG ASP A 32 5.172 -9.072 9.002 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.748 -9.962 8.236 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.383 -8.794 9.126 1.00 0.00 O ATOM 0 H ASP A 32 2.064 -6.711 8.712 1.00 0.00 H new ATOM 0 HA ASP A 32 2.664 -9.586 8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.366 -7.224 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.293 -8.535 10.877 1.00 0.00 H new ATOM 510 N LYS A 33 0.591 -9.020 10.475 1.00 0.00 N ATOM 511 CA LYS A 33 -0.384 -9.007 11.560 1.00 0.00 C ATOM 512 C LYS A 33 0.294 -9.259 12.903 1.00 0.00 C ATOM 513 O LYS A 33 -0.188 -8.813 13.944 1.00 0.00 O ATOM 514 CB LYS A 33 -1.464 -10.063 11.315 1.00 0.00 C ATOM 515 CG LYS A 33 -2.539 -9.618 10.339 1.00 0.00 C ATOM 516 CD LYS A 33 -3.572 -8.731 11.014 1.00 0.00 C ATOM 517 CE LYS A 33 -4.718 -9.547 11.589 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.233 -10.546 10.612 1.00 0.00 N ATOM 0 H LYS A 33 0.260 -9.460 9.616 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.848 -8.021 11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.994 -10.970 10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.932 -10.320 12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.079 -9.078 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.031 -10.493 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.096 -8.158 11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.962 -8.012 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.382 -10.060 12.490 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.527 -8.879 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.249 -10.698 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.086 -10.193 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.724 -11.445 10.734 1.00 0.00 H new ATOM 532 N GLU A 34 1.413 -9.975 12.871 1.00 0.00 N ATOM 533 CA GLU A 34 2.156 -10.285 14.087 1.00 0.00 C ATOM 534 C GLU A 34 2.510 -9.010 14.848 1.00 0.00 C ATOM 535 O GLU A 34 2.315 -8.924 16.061 1.00 0.00 O ATOM 536 CB GLU A 34 3.430 -11.061 13.749 1.00 0.00 C ATOM 537 CG GLU A 34 3.169 -12.469 13.243 1.00 0.00 C ATOM 538 CD GLU A 34 4.349 -13.396 13.463 1.00 0.00 C ATOM 539 OE1 GLU A 34 5.492 -12.979 13.179 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.130 -14.538 13.917 1.00 0.00 O ATOM 0 H GLU A 34 1.825 -10.351 12.017 1.00 0.00 H new ATOM 0 HA GLU A 34 1.521 -10.903 14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.991 -10.511 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.059 -11.114 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.293 -12.876 13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.935 -12.431 12.179 1.00 0.00 H new ATOM 547 N SER A 35 3.032 -8.023 14.127 1.00 0.00 N ATOM 548 CA SER A 35 3.417 -6.754 14.734 1.00 0.00 C ATOM 549 C SER A 35 2.503 -5.627 14.264 1.00 0.00 C ATOM 550 O SER A 35 2.861 -4.451 14.332 1.00 0.00 O ATOM 551 CB SER A 35 4.871 -6.423 14.392 1.00 0.00 C ATOM 552 OG SER A 35 5.757 -6.953 15.363 1.00 0.00 O ATOM 0 H SER A 35 3.198 -8.077 13.122 1.00 0.00 H new ATOM 0 HA SER A 35 3.318 -6.851 15.815 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.118 -6.828 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.997 -5.342 14.332 1.00 0.00 H new ATOM 0 HG SER A 35 6.680 -6.729 15.121 1.00 0.00 H new ATOM 558 N LYS A 36 1.318 -5.995 13.787 1.00 0.00 N ATOM 559 CA LYS A 36 0.349 -5.017 13.306 1.00 0.00 C ATOM 560 C LYS A 36 0.979 -4.090 12.273 1.00 0.00 C ATOM 561 O LYS A 36 0.773 -2.876 12.306 1.00 0.00 O ATOM 562 CB LYS A 36 -0.201 -4.197 14.475 1.00 0.00 C ATOM 563 CG LYS A 36 -1.313 -4.895 15.239 1.00 0.00 C ATOM 564 CD LYS A 36 -1.840 -4.031 16.372 1.00 0.00 C ATOM 565 CE LYS A 36 -3.302 -4.327 16.666 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.210 -3.666 15.688 1.00 0.00 N ATOM 0 H LYS A 36 1.006 -6.964 13.723 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.470 -5.557 12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.613 -3.969 15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.574 -3.245 14.096 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.127 -5.138 14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.943 -5.838 15.641 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.245 -4.203 17.269 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.726 -2.979 16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.466 -5.404 16.643 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.545 -3.989 17.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.197 -3.892 15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.072 -2.636 15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.995 -4.007 14.729 1.00 0.00 H new ATOM 580 N ILE A 37 1.747 -4.668 11.355 1.00 0.00 N ATOM 581 CA ILE A 37 2.404 -3.893 10.310 1.00 0.00 C ATOM 582 C ILE A 37 1.671 -4.030 8.980 1.00 0.00 C ATOM 583 O ILE A 37 1.175 -5.104 8.640 1.00 0.00 O ATOM 584 CB ILE A 37 3.869 -4.330 10.123 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.585 -4.384 11.474 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.588 -3.381 9.175 1.00 0.00 C ATOM 587 CD1 ILE A 37 6.007 -4.892 11.385 1.00 0.00 C ATOM 0 H ILE A 37 1.929 -5.671 11.314 1.00 0.00 H new ATOM 0 HA ILE A 37 2.381 -2.851 10.629 1.00 0.00 H new ATOM 0 HB ILE A 37 3.881 -5.329 9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.591 -3.386 11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.020 -5.026 12.150 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.622 -3.703 9.053 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.089 -3.388 8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.568 -2.372 9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.452 -4.903 12.380 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.008 -5.902 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.587 -4.237 10.735 1.00 0.00 H new ATOM 599 N PHE A 38 1.607 -2.934 8.231 1.00 0.00 N ATOM 600 CA PHE A 38 0.935 -2.931 6.937 1.00 0.00 C ATOM 601 C PHE A 38 1.666 -2.029 5.946 1.00 0.00 C ATOM 602 O PHE A 38 2.614 -1.332 6.308 1.00 0.00 O ATOM 603 CB PHE A 38 -0.515 -2.467 7.092 1.00 0.00 C ATOM 604 CG PHE A 38 -0.644 -1.081 7.656 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.337 -0.828 8.983 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.071 -0.032 6.859 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.456 0.447 9.505 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.191 1.245 7.374 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.882 1.485 8.699 1.00 0.00 C ATOM 0 H PHE A 38 2.012 -2.037 8.498 1.00 0.00 H new ATOM 0 HA PHE A 38 0.944 -3.950 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.005 -2.502 6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.044 -3.165 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.001 -1.635 9.617 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.313 -0.214 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.216 0.631 10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.526 2.054 6.742 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.973 2.482 9.104 1.00 0.00 H new ATOM 619 N ARG A 39 1.218 -2.049 4.695 1.00 0.00 N ATOM 620 CA ARG A 39 1.830 -1.235 3.652 1.00 0.00 C ATOM 621 C ARG A 39 0.798 -0.831 2.603 1.00 0.00 C ATOM 622 O ARG A 39 -0.132 -1.583 2.311 1.00 0.00 O ATOM 623 CB ARG A 39 2.977 -1.999 2.986 1.00 0.00 C ATOM 624 CG ARG A 39 2.554 -2.778 1.752 1.00 0.00 C ATOM 625 CD ARG A 39 3.385 -4.040 1.578 1.00 0.00 C ATOM 626 NE ARG A 39 4.644 -3.775 0.888 1.00 0.00 N ATOM 627 CZ ARG A 39 4.725 -3.470 -0.403 1.00 0.00 C ATOM 628 NH1 ARG A 39 3.624 -3.392 -1.139 1.00 0.00 N ATOM 629 NH2 ARG A 39 5.907 -3.243 -0.960 1.00 0.00 N ATOM 0 H ARG A 39 0.434 -2.620 4.379 1.00 0.00 H new ATOM 0 HA ARG A 39 2.225 -0.331 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.760 -1.293 2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.411 -2.689 3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.500 -3.043 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.658 -2.148 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.592 -4.475 2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.812 -4.777 1.016 1.00 0.00 H new ATOM 0 HE ARG A 39 5.509 -3.827 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.713 -3.566 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.688 -3.158 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.756 -3.302 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.967 -3.009 -1.951 1.00 0.00 H new ATOM 643 N ILE A 40 0.969 0.361 2.042 1.00 0.00 N ATOM 644 CA ILE A 40 0.053 0.865 1.026 1.00 0.00 C ATOM 645 C ILE A 40 0.364 0.265 -0.341 1.00 0.00 C ATOM 646 O ILE A 40 1.239 0.749 -1.059 1.00 0.00 O ATOM 647 CB ILE A 40 0.113 2.401 0.925 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.657 3.040 2.083 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.446 2.866 -0.411 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.425 4.529 2.214 1.00 0.00 C ATOM 0 H ILE A 40 1.733 0.996 2.274 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.950 0.568 1.331 1.00 0.00 H new ATOM 0 HB ILE A 40 1.155 2.715 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.723 2.857 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.368 2.552 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.397 3.953 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.141 2.434 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.483 2.544 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.002 4.915 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.635 4.719 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.741 5.028 1.298 1.00 0.00 H new ATOM 662 N VAL A 41 -0.360 -0.792 -0.696 1.00 0.00 N ATOM 663 CA VAL A 41 -0.163 -1.457 -1.979 1.00 0.00 C ATOM 664 C VAL A 41 -0.067 -0.444 -3.114 1.00 0.00 C ATOM 665 O VAL A 41 0.819 -0.533 -3.965 1.00 0.00 O ATOM 666 CB VAL A 41 -1.308 -2.443 -2.281 1.00 0.00 C ATOM 667 CG1 VAL A 41 -1.101 -3.103 -3.635 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.415 -3.487 -1.180 1.00 0.00 C ATOM 0 H VAL A 41 -1.088 -1.206 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 41 0.774 -2.009 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.245 -1.887 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.919 -3.796 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.078 -2.339 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.157 -3.648 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.229 -4.175 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.479 -4.041 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.614 -2.994 -0.229 1.00 0.00 H new ATOM 678 N ASP A 42 -0.982 0.518 -3.121 1.00 0.00 N ATOM 679 CA ASP A 42 -1.000 1.550 -4.151 1.00 0.00 C ATOM 680 C ASP A 42 -1.514 2.871 -3.588 1.00 0.00 C ATOM 681 O ASP A 42 -2.704 3.037 -3.317 1.00 0.00 O ATOM 682 CB ASP A 42 -1.870 1.110 -5.329 1.00 0.00 C ATOM 683 CG ASP A 42 -1.438 1.743 -6.637 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.029 2.922 -6.617 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.510 1.059 -7.680 1.00 0.00 O ATOM 0 H ASP A 42 -1.722 0.605 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 42 0.022 1.698 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.828 0.025 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.909 1.372 -5.128 1.00 0.00 H new ATOM 690 N PRO A 43 -0.598 3.834 -3.407 1.00 0.00 N ATOM 691 CA PRO A 43 -0.936 5.157 -2.874 1.00 0.00 C ATOM 692 C PRO A 43 -1.756 5.986 -3.857 1.00 0.00 C ATOM 693 O PRO A 43 -2.678 6.699 -3.464 1.00 0.00 O ATOM 694 CB PRO A 43 0.431 5.804 -2.639 1.00 0.00 C ATOM 695 CG PRO A 43 1.345 5.116 -3.594 1.00 0.00 C ATOM 696 CD PRO A 43 0.837 3.705 -3.709 1.00 0.00 C ATOM 0 HA PRO A 43 -1.551 5.090 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.398 6.877 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.761 5.670 -1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.341 5.613 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.373 5.133 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.003 3.298 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.337 3.039 -3.006 1.00 0.00 H new ATOM 704 N ASN A 44 -1.414 5.886 -5.137 1.00 0.00 N ATOM 705 CA ASN A 44 -2.119 6.628 -6.177 1.00 0.00 C ATOM 706 C ASN A 44 -3.588 6.218 -6.235 1.00 0.00 C ATOM 707 O ASN A 44 -4.441 6.991 -6.670 1.00 0.00 O ATOM 708 CB ASN A 44 -1.458 6.393 -7.537 1.00 0.00 C ATOM 709 CG ASN A 44 -1.751 7.509 -8.522 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.226 8.579 -8.141 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.470 7.262 -9.796 1.00 0.00 N ATOM 0 H ASN A 44 -0.653 5.299 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.065 7.689 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.380 6.303 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.808 5.447 -7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.647 7.974 -10.505 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.077 6.360 -10.066 1.00 0.00 H new ATOM 718 N GLY A 45 -3.874 4.997 -5.794 1.00 0.00 N ATOM 719 CA GLY A 45 -5.240 4.507 -5.804 1.00 0.00 C ATOM 720 C GLY A 45 -5.929 4.681 -4.465 1.00 0.00 C ATOM 721 O GLY A 45 -7.084 5.104 -4.403 1.00 0.00 O ATOM 0 H GLY A 45 -3.185 4.339 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.806 5.035 -6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.242 3.451 -6.076 1.00 0.00 H new ATOM 725 N LEU A 46 -5.220 4.353 -3.390 1.00 0.00 N ATOM 726 CA LEU A 46 -5.771 4.474 -2.045 1.00 0.00 C ATOM 727 C LEU A 46 -6.103 5.927 -1.721 1.00 0.00 C ATOM 728 O LEU A 46 -7.201 6.234 -1.256 1.00 0.00 O ATOM 729 CB LEU A 46 -4.781 3.924 -1.016 1.00 0.00 C ATOM 730 CG LEU A 46 -5.163 4.115 0.452 1.00 0.00 C ATOM 731 CD1 LEU A 46 -6.226 3.109 0.863 1.00 0.00 C ATOM 732 CD2 LEU A 46 -3.936 3.991 1.343 1.00 0.00 C ATOM 0 H LEU A 46 -4.263 4.001 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.692 3.892 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.651 2.858 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.813 4.397 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.575 5.117 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.485 3.261 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.114 3.246 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.842 2.098 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.227 4.130 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.494 3.002 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.207 4.752 1.066 1.00 0.00 H new ATOM 744 N ALA A 47 -5.149 6.817 -1.972 1.00 0.00 N ATOM 745 CA ALA A 47 -5.343 8.238 -1.711 1.00 0.00 C ATOM 746 C ALA A 47 -6.693 8.713 -2.236 1.00 0.00 C ATOM 747 O ALA A 47 -7.395 9.475 -1.570 1.00 0.00 O ATOM 748 CB ALA A 47 -4.216 9.047 -2.337 1.00 0.00 C ATOM 0 H ALA A 47 -4.234 6.579 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.329 8.390 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.373 10.107 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.263 8.733 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.204 8.881 -3.414 1.00 0.00 H new ATOM 754 N ARG A 48 -7.051 8.260 -3.433 1.00 0.00 N ATOM 755 CA ARG A 48 -8.317 8.641 -4.047 1.00 0.00 C ATOM 756 C ARG A 48 -9.482 8.380 -3.097 1.00 0.00 C ATOM 757 O ARG A 48 -10.455 9.135 -3.068 1.00 0.00 O ATOM 758 CB ARG A 48 -8.527 7.873 -5.353 1.00 0.00 C ATOM 759 CG ARG A 48 -7.530 8.237 -6.441 1.00 0.00 C ATOM 760 CD ARG A 48 -8.128 8.056 -7.827 1.00 0.00 C ATOM 761 NE ARG A 48 -7.230 8.531 -8.877 1.00 0.00 N ATOM 762 CZ ARG A 48 -7.566 8.589 -10.160 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.773 8.204 -10.551 1.00 0.00 N ATOM 764 NH2 ARG A 48 -6.694 9.034 -11.056 1.00 0.00 N ATOM 0 H ARG A 48 -6.482 7.629 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.280 9.709 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.457 6.804 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.536 8.063 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.212 9.272 -6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.640 7.615 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.351 7.002 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.073 8.595 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.294 8.835 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.446 7.862 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.028 8.250 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.765 9.332 -10.759 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.953 9.078 -12.042 1.00 0.00 H new ATOM 778 N LEU A 49 -9.378 7.305 -2.323 1.00 0.00 N ATOM 779 CA LEU A 49 -10.424 6.943 -1.372 1.00 0.00 C ATOM 780 C LEU A 49 -10.466 7.928 -0.208 1.00 0.00 C ATOM 781 O LEU A 49 -11.535 8.393 0.186 1.00 0.00 O ATOM 782 CB LEU A 49 -10.194 5.525 -0.847 1.00 0.00 C ATOM 783 CG LEU A 49 -9.809 4.477 -1.892 1.00 0.00 C ATOM 784 CD1 LEU A 49 -8.937 3.397 -1.269 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.054 3.865 -2.518 1.00 0.00 C ATOM 0 H LEU A 49 -8.581 6.669 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.382 6.981 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.409 5.562 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.103 5.193 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.236 4.969 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.673 2.660 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.029 3.848 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.484 2.908 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.761 3.122 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.654 3.388 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.640 4.647 -3.001 1.00 0.00 H new ATOM 797 N TRP A 50 -9.296 8.243 0.336 1.00 0.00 N ATOM 798 CA TRP A 50 -9.199 9.174 1.454 1.00 0.00 C ATOM 799 C TRP A 50 -9.662 10.568 1.043 1.00 0.00 C ATOM 800 O TRP A 50 -10.505 11.172 1.704 1.00 0.00 O ATOM 801 CB TRP A 50 -7.761 9.233 1.972 1.00 0.00 C ATOM 802 CG TRP A 50 -7.472 10.461 2.782 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.814 11.582 2.365 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.829 10.689 4.150 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.740 12.494 3.390 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.357 11.970 4.496 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.504 9.937 5.115 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.538 12.513 5.765 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.683 10.477 6.375 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.202 11.754 6.691 1.00 0.00 C ATOM 0 H TRP A 50 -8.402 7.867 0.021 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.850 8.815 2.251 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.565 8.350 2.581 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.075 9.195 1.125 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.411 11.730 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.298 13.412 3.337 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.879 8.952 4.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.168 13.498 6.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.203 9.904 7.129 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.358 12.148 7.685 1.00 0.00 H new ATOM 821 N GLY A 51 -9.104 11.073 -0.053 1.00 0.00 N ATOM 822 CA GLY A 51 -9.473 12.392 -0.533 1.00 0.00 C ATOM 823 C GLY A 51 -10.974 12.569 -0.646 1.00 0.00 C ATOM 824 O GLY A 51 -11.537 13.517 -0.101 1.00 0.00 O ATOM 0 H GLY A 51 -8.403 10.592 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.071 13.147 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.016 12.561 -1.508 1.00 0.00 H new ATOM 828 N ASN A 52 -11.624 11.654 -1.359 1.00 0.00 N ATOM 829 CA ASN A 52 -13.069 11.715 -1.544 1.00 0.00 C ATOM 830 C ASN A 52 -13.791 11.699 -0.200 1.00 0.00 C ATOM 831 O ASN A 52 -14.831 12.337 -0.034 1.00 0.00 O ATOM 832 CB ASN A 52 -13.544 10.542 -2.405 1.00 0.00 C ATOM 833 CG ASN A 52 -14.784 10.881 -3.210 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.176 12.043 -3.307 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.407 9.863 -3.792 1.00 0.00 N ATOM 0 H ASN A 52 -11.173 10.862 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.306 12.650 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.744 10.245 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.753 9.686 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.247 10.029 -4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.046 8.915 -3.684 1.00 0.00 H new ATOM 842 N HIS A 53 -13.232 10.966 0.757 1.00 0.00 N ATOM 843 CA HIS A 53 -13.821 10.867 2.087 1.00 0.00 C ATOM 844 C HIS A 53 -13.895 12.238 2.752 1.00 0.00 C ATOM 845 O HIS A 53 -14.949 12.648 3.240 1.00 0.00 O ATOM 846 CB HIS A 53 -13.008 9.909 2.959 1.00 0.00 C ATOM 847 CG HIS A 53 -13.654 9.601 4.274 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.715 8.330 4.804 1.00 0.00 N ATOM 849 CD2 HIS A 53 -14.268 10.410 5.170 1.00 0.00 C ATOM 850 CE1 HIS A 53 -14.340 8.369 5.968 1.00 0.00 C ATOM 851 NE2 HIS A 53 -14.686 9.621 6.213 1.00 0.00 N ATOM 0 H HIS A 53 -12.372 10.432 0.636 1.00 0.00 H new ATOM 0 HA HIS A 53 -14.834 10.479 1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.852 8.978 2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.024 10.342 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.404 11.478 5.081 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.535 7.522 6.610 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -15.183 9.948 7.042 1.00 0.00 H new ATOM 860 N LYS A 54 -12.769 12.944 2.768 1.00 0.00 N ATOM 861 CA LYS A 54 -12.705 14.270 3.372 1.00 0.00 C ATOM 862 C LYS A 54 -13.105 15.345 2.367 1.00 0.00 C ATOM 863 O LYS A 54 -12.530 16.433 2.346 1.00 0.00 O ATOM 864 CB LYS A 54 -11.295 14.546 3.897 1.00 0.00 C ATOM 865 CG LYS A 54 -11.025 13.942 5.264 1.00 0.00 C ATOM 866 CD LYS A 54 -11.788 14.671 6.357 1.00 0.00 C ATOM 867 CE LYS A 54 -10.977 15.823 6.929 1.00 0.00 C ATOM 868 NZ LYS A 54 -11.827 16.767 7.706 1.00 0.00 N ATOM 0 H LYS A 54 -11.888 12.620 2.369 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.407 14.297 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.568 14.153 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.140 15.624 3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.310 12.890 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.957 13.983 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.728 15.050 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.041 13.972 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.190 15.429 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.486 16.360 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.237 17.538 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.563 17.162 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.276 16.261 8.496 1.00 0.00 H new ATOM 882 N ASN A 55 -14.095 15.034 1.536 1.00 0.00 N ATOM 883 CA ASN A 55 -14.572 15.975 0.529 1.00 0.00 C ATOM 884 C ASN A 55 -13.424 16.820 -0.014 1.00 0.00 C ATOM 885 O ASN A 55 -13.579 18.018 -0.251 1.00 0.00 O ATOM 886 CB ASN A 55 -15.653 16.883 1.121 1.00 0.00 C ATOM 887 CG ASN A 55 -16.630 17.377 0.072 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.841 16.726 -0.951 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.232 18.533 0.323 1.00 0.00 N ATOM 0 H ASN A 55 -14.582 14.138 1.540 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.998 15.402 -0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.197 16.340 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.181 17.738 1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.900 18.916 -0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.026 19.039 1.185 1.00 0.00 H new ATOM 896 N ARG A 56 -12.271 16.186 -0.208 1.00 0.00 N ATOM 897 CA ARG A 56 -11.096 16.879 -0.722 1.00 0.00 C ATOM 898 C ARG A 56 -10.888 16.571 -2.202 1.00 0.00 C ATOM 899 O ARG A 56 -11.285 15.513 -2.690 1.00 0.00 O ATOM 900 CB ARG A 56 -9.853 16.479 0.073 1.00 0.00 C ATOM 901 CG ARG A 56 -8.768 17.543 0.084 1.00 0.00 C ATOM 902 CD ARG A 56 -8.952 18.515 1.239 1.00 0.00 C ATOM 903 NE ARG A 56 -7.826 19.436 1.365 1.00 0.00 N ATOM 904 CZ ARG A 56 -7.582 20.420 0.508 1.00 0.00 C ATOM 905 NH1 ARG A 56 -8.382 20.612 -0.532 1.00 0.00 N ATOM 906 NH2 ARG A 56 -6.536 21.217 0.690 1.00 0.00 N ATOM 0 H ARG A 56 -12.126 15.195 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.260 17.951 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.144 16.259 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.444 15.560 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.791 17.067 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.783 18.090 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.870 19.083 1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.069 17.956 2.168 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.192 19.317 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.187 20.003 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.192 21.369 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.919 21.074 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.350 21.973 0.031 1.00 0.00 H new ATOM 920 N THR A 57 -10.262 17.504 -2.913 1.00 0.00 N ATOM 921 CA THR A 57 -10.002 17.334 -4.337 1.00 0.00 C ATOM 922 C THR A 57 -8.508 17.195 -4.611 1.00 0.00 C ATOM 923 O THR A 57 -7.679 17.620 -3.807 1.00 0.00 O ATOM 924 CB THR A 57 -10.554 18.516 -5.155 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.918 18.766 -4.795 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.462 18.233 -6.647 1.00 0.00 C ATOM 0 H THR A 57 -9.926 18.385 -2.525 1.00 0.00 H new ATOM 0 HA THR A 57 -10.512 16.421 -4.643 1.00 0.00 H new ATOM 0 HB THR A 57 -9.952 19.396 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.261 19.520 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.858 19.082 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.420 18.072 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.042 17.341 -6.885 1.00 0.00 H new ATOM 934 N ASN A 58 -8.173 16.599 -5.750 1.00 0.00 N ATOM 935 CA ASN A 58 -6.778 16.405 -6.130 1.00 0.00 C ATOM 936 C ASN A 58 -5.947 15.953 -4.933 1.00 0.00 C ATOM 937 O ASN A 58 -4.876 16.497 -4.667 1.00 0.00 O ATOM 938 CB ASN A 58 -6.200 17.699 -6.706 1.00 0.00 C ATOM 939 CG ASN A 58 -6.705 17.984 -8.108 1.00 0.00 C ATOM 940 OD1 ASN A 58 -6.771 17.088 -8.950 1.00 0.00 O ATOM 941 ND2 ASN A 58 -7.064 19.236 -8.364 1.00 0.00 N ATOM 0 H ASN A 58 -8.848 16.242 -6.426 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.739 15.627 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.460 18.532 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.112 17.633 -6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.411 19.488 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.992 19.946 -7.635 1.00 0.00 H new ATOM 948 N MET A 59 -6.448 14.953 -4.216 1.00 0.00 N ATOM 949 CA MET A 59 -5.751 14.425 -3.049 1.00 0.00 C ATOM 950 C MET A 59 -4.574 13.550 -3.468 1.00 0.00 C ATOM 951 O MET A 59 -4.758 12.470 -4.029 1.00 0.00 O ATOM 952 CB MET A 59 -6.713 13.620 -2.173 1.00 0.00 C ATOM 953 CG MET A 59 -6.018 12.817 -1.086 1.00 0.00 C ATOM 954 SD MET A 59 -5.310 13.860 0.203 1.00 0.00 S ATOM 955 CE MET A 59 -6.795 14.507 0.968 1.00 0.00 C ATOM 0 H MET A 59 -7.334 14.492 -4.422 1.00 0.00 H new ATOM 0 HA MET A 59 -5.368 15.268 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.426 14.302 -1.710 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.285 12.941 -2.805 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.732 12.126 -0.638 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.229 12.214 -1.534 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.525 15.101 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.329 15.134 0.254 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.436 13.680 1.275 1.00 0.00 H new ATOM 965 N THR A 60 -3.362 14.024 -3.192 1.00 0.00 N ATOM 966 CA THR A 60 -2.155 13.285 -3.542 1.00 0.00 C ATOM 967 C THR A 60 -1.508 12.673 -2.306 1.00 0.00 C ATOM 968 O THR A 60 -1.392 13.323 -1.267 1.00 0.00 O ATOM 969 CB THR A 60 -1.129 14.190 -4.251 1.00 0.00 C ATOM 970 OG1 THR A 60 0.179 13.615 -4.155 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.123 15.583 -3.640 1.00 0.00 C ATOM 0 H THR A 60 -3.191 14.916 -2.727 1.00 0.00 H new ATOM 0 HA THR A 60 -2.457 12.489 -4.222 1.00 0.00 H new ATOM 0 HB THR A 60 -1.413 14.273 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.823 14.187 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.391 16.204 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.113 16.029 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.861 15.516 -2.584 1.00 0.00 H new ATOM 979 N TYR A 61 -1.085 11.419 -2.425 1.00 0.00 N ATOM 980 CA TYR A 61 -0.450 10.718 -1.315 1.00 0.00 C ATOM 981 C TYR A 61 0.607 11.595 -0.650 1.00 0.00 C ATOM 982 O TYR A 61 0.966 11.383 0.507 1.00 0.00 O ATOM 983 CB TYR A 61 0.186 9.416 -1.804 1.00 0.00 C ATOM 984 CG TYR A 61 1.022 8.719 -0.755 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.428 8.126 0.353 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.405 8.653 -0.870 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.187 7.489 1.315 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.172 8.016 0.086 1.00 0.00 C ATOM 989 CZ TYR A 61 2.559 7.436 1.177 1.00 0.00 C ATOM 990 OH TYR A 61 3.319 6.802 2.132 1.00 0.00 O ATOM 0 H TYR A 61 -1.170 10.867 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.219 10.485 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.601 8.740 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.811 9.630 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.646 8.164 0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.889 9.108 -1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.709 7.035 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.246 7.972 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 61 4.266 6.854 1.884 1.00 0.00 H new ATOM 1000 N GLU A 62 1.100 12.582 -1.392 1.00 0.00 N ATOM 1001 CA GLU A 62 2.116 13.491 -0.875 1.00 0.00 C ATOM 1002 C GLU A 62 1.583 14.281 0.317 1.00 0.00 C ATOM 1003 O GLU A 62 2.290 14.494 1.302 1.00 0.00 O ATOM 1004 CB GLU A 62 2.577 14.453 -1.973 1.00 0.00 C ATOM 1005 CG GLU A 62 3.093 13.752 -3.218 1.00 0.00 C ATOM 1006 CD GLU A 62 4.321 12.905 -2.946 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.008 13.164 -1.936 1.00 0.00 O ATOM 1008 OE2 GLU A 62 4.593 11.983 -3.743 1.00 0.00 O ATOM 0 H GLU A 62 0.812 12.772 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 62 2.966 12.895 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.745 15.101 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.363 15.095 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.305 13.121 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.331 14.497 -3.977 1.00 0.00 H new ATOM 1015 N LYS A 63 0.330 14.714 0.220 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.300 15.480 1.289 1.00 0.00 C ATOM 1017 C LYS A 63 -0.943 14.553 2.316 1.00 0.00 C ATOM 1018 O LYS A 63 -1.247 14.967 3.434 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.353 16.428 0.712 1.00 0.00 C ATOM 1020 CG LYS A 63 -2.635 15.730 0.291 1.00 0.00 C ATOM 1021 CD LYS A 63 -3.747 16.727 0.010 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.244 17.906 -0.810 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.288 18.956 -0.969 1.00 0.00 N ATOM 0 H LYS A 63 -0.269 14.547 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 63 0.473 16.065 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.591 17.189 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.931 16.945 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.448 15.131 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.951 15.043 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.557 16.230 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.161 17.087 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.367 18.336 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.928 17.556 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.907 19.742 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.116 18.552 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.572 19.308 -0.032 1.00 0.00 H new ATOM 1037 N MET A 64 -1.145 13.298 1.929 1.00 0.00 N ATOM 1038 CA MET A 64 -1.749 12.312 2.818 1.00 0.00 C ATOM 1039 C MET A 64 -0.758 11.865 3.887 1.00 0.00 C ATOM 1040 O MET A 64 -0.940 12.148 5.072 1.00 0.00 O ATOM 1041 CB MET A 64 -2.235 11.102 2.017 1.00 0.00 C ATOM 1042 CG MET A 64 -3.344 10.323 2.706 1.00 0.00 C ATOM 1043 SD MET A 64 -4.214 9.213 1.583 1.00 0.00 S ATOM 1044 CE MET A 64 -3.770 7.620 2.271 1.00 0.00 C ATOM 0 H MET A 64 -0.899 12.940 1.006 1.00 0.00 H new ATOM 0 HA MET A 64 -2.602 12.778 3.311 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.590 11.440 1.043 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.392 10.435 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.920 9.744 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.056 11.022 3.144 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.144 6.827 1.623 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.685 7.546 2.346 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.210 7.517 3.263 1.00 0.00 H new ATOM 1054 N SER A 65 0.289 11.166 3.462 1.00 0.00 N ATOM 1055 CA SER A 65 1.307 10.676 4.385 1.00 0.00 C ATOM 1056 C SER A 65 1.580 11.698 5.485 1.00 0.00 C ATOM 1057 O SER A 65 1.803 11.337 6.640 1.00 0.00 O ATOM 1058 CB SER A 65 2.601 10.364 3.631 1.00 0.00 C ATOM 1059 OG SER A 65 3.482 9.593 4.429 1.00 0.00 O ATOM 0 H SER A 65 0.455 10.926 2.485 1.00 0.00 H new ATOM 0 HA SER A 65 0.934 9.762 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.370 9.824 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.089 11.294 3.339 1.00 0.00 H new ATOM 0 HG SER A 65 4.301 9.405 3.924 1.00 0.00 H new ATOM 1065 N ARG A 66 1.560 12.974 5.116 1.00 0.00 N ATOM 1066 CA ARG A 66 1.806 14.049 6.070 1.00 0.00 C ATOM 1067 C ARG A 66 1.256 13.690 7.447 1.00 0.00 C ATOM 1068 O ARG A 66 1.981 13.716 8.441 1.00 0.00 O ATOM 1069 CB ARG A 66 1.171 15.351 5.579 1.00 0.00 C ATOM 1070 CG ARG A 66 2.089 16.183 4.698 1.00 0.00 C ATOM 1071 CD ARG A 66 2.909 17.166 5.518 1.00 0.00 C ATOM 1072 NE ARG A 66 4.153 17.534 4.848 1.00 0.00 N ATOM 1073 CZ ARG A 66 4.929 18.538 5.241 1.00 0.00 C ATOM 1074 NH1 ARG A 66 4.592 19.269 6.294 1.00 0.00 N ATOM 1075 NH2 ARG A 66 6.047 18.812 4.580 1.00 0.00 N ATOM 0 H ARG A 66 1.376 13.289 4.163 1.00 0.00 H new ATOM 0 HA ARG A 66 2.884 14.187 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.263 15.115 5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.871 15.947 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.757 15.525 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.495 16.727 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.319 18.063 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.137 16.726 6.489 1.00 0.00 H new ATOM 0 HE ARG A 66 4.442 16.991 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.734 19.061 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.190 20.039 6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.311 18.251 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.642 19.583 4.882 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.029 13.357 7.497 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.676 12.992 8.751 1.00 0.00 C ATOM 1091 C ALA A 67 0.098 11.889 9.467 1.00 0.00 C ATOM 1092 O ALA A 67 0.685 12.116 10.526 1.00 0.00 O ATOM 1093 CB ALA A 67 -2.110 12.553 8.497 1.00 0.00 C ATOM 0 H ALA A 67 -0.643 13.332 6.683 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.686 13.871 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.581 12.283 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.664 13.370 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.114 11.690 7.831 1.00 0.00 H new ATOM 1099 N LEU A 68 0.094 10.696 8.884 1.00 0.00 N ATOM 1100 CA LEU A 68 0.796 9.557 9.466 1.00 0.00 C ATOM 1101 C LEU A 68 2.071 10.007 10.172 1.00 0.00 C ATOM 1102 O LEU A 68 2.456 9.445 11.198 1.00 0.00 O ATOM 1103 CB LEU A 68 1.133 8.532 8.383 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.031 7.678 7.881 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.951 7.300 9.032 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.805 8.414 6.797 1.00 0.00 C ATOM 0 H LEU A 68 -0.388 10.492 8.008 1.00 0.00 H new ATOM 0 HA LEU A 68 0.139 9.094 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.563 9.060 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.906 7.867 8.769 1.00 0.00 H new ATOM 0 HG LEU A 68 0.375 6.762 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.774 6.692 8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.390 6.732 9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.349 8.205 9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.630 7.791 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.199 9.346 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.141 8.633 5.961 1.00 0.00 H new ATOM 1118 N ARG A 69 2.721 11.024 9.617 1.00 0.00 N ATOM 1119 CA ARG A 69 3.953 11.550 10.194 1.00 0.00 C ATOM 1120 C ARG A 69 3.705 12.099 11.596 1.00 0.00 C ATOM 1121 O ARG A 69 4.249 11.593 12.578 1.00 0.00 O ATOM 1122 CB ARG A 69 4.532 12.647 9.300 1.00 0.00 C ATOM 1123 CG ARG A 69 6.040 12.797 9.418 1.00 0.00 C ATOM 1124 CD ARG A 69 6.424 13.640 10.624 1.00 0.00 C ATOM 1125 NE ARG A 69 6.206 15.065 10.387 1.00 0.00 N ATOM 1126 CZ ARG A 69 6.574 16.016 11.238 1.00 0.00 C ATOM 1127 NH1 ARG A 69 7.175 15.696 12.376 1.00 0.00 N ATOM 1128 NH2 ARG A 69 6.341 17.290 10.952 1.00 0.00 N ATOM 0 H ARG A 69 2.416 11.501 8.768 1.00 0.00 H new ATOM 0 HA ARG A 69 4.670 10.732 10.264 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.277 12.431 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.060 13.597 9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.499 11.812 9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.433 13.257 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.841 13.323 11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.473 13.469 10.867 1.00 0.00 H new ATOM 0 HE ARG A 69 5.746 15.345 9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.356 14.717 12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.457 16.428 13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.879 17.540 10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.624 18.020 11.606 1.00 0.00 H new ATOM 1142 N HIS A 70 2.881 13.139 11.682 1.00 0.00 N ATOM 1143 CA HIS A 70 2.561 13.757 12.963 1.00 0.00 C ATOM 1144 C HIS A 70 2.426 12.702 14.057 1.00 0.00 C ATOM 1145 O HIS A 70 2.889 12.895 15.181 1.00 0.00 O ATOM 1146 CB HIS A 70 1.268 14.565 12.855 1.00 0.00 C ATOM 1147 CG HIS A 70 1.483 15.987 12.436 1.00 0.00 C ATOM 1148 ND1 HIS A 70 1.982 16.953 13.283 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.265 16.603 11.251 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.061 18.103 12.638 1.00 0.00 C ATOM 1151 NE2 HIS A 70 1.632 17.918 11.402 1.00 0.00 N ATOM 0 H HIS A 70 2.423 13.571 10.879 1.00 0.00 H new ATOM 0 HA HIS A 70 3.378 14.428 13.229 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.605 14.080 12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.760 14.552 13.819 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.249 16.803 14.256 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.875 16.146 10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.416 19.036 13.051 1.00 0.00 H new ATOM 1160 N TYR A 71 1.788 11.586 13.720 1.00 0.00 N ATOM 1161 CA TYR A 71 1.588 10.502 14.674 1.00 0.00 C ATOM 1162 C TYR A 71 2.914 9.834 15.024 1.00 0.00 C ATOM 1163 O TYR A 71 3.161 9.486 16.179 1.00 0.00 O ATOM 1164 CB TYR A 71 0.617 9.466 14.105 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.711 10.050 13.681 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.764 10.159 14.582 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.915 10.492 12.380 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.980 10.692 14.199 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.127 11.027 11.988 1.00 0.00 C ATOM 1170 CZ TYR A 71 -3.156 11.125 12.902 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.365 11.656 12.515 1.00 0.00 O ATOM 0 H TYR A 71 1.401 11.409 12.793 1.00 0.00 H new ATOM 0 HA TYR A 71 1.164 10.926 15.584 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.080 8.979 13.247 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.442 8.694 14.854 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.629 9.821 15.599 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.112 10.416 11.662 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.788 10.769 14.912 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.268 11.366 10.972 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.082 11.021 12.721 1.00 0.00 H new ATOM 1181 N TYR A 72 3.764 9.658 14.019 1.00 0.00 N ATOM 1182 CA TYR A 72 5.065 9.030 14.218 1.00 0.00 C ATOM 1183 C TYR A 72 5.737 9.559 15.481 1.00 0.00 C ATOM 1184 O TYR A 72 6.190 8.789 16.328 1.00 0.00 O ATOM 1185 CB TYR A 72 5.965 9.277 13.006 1.00 0.00 C ATOM 1186 CG TYR A 72 5.451 8.646 11.732 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.337 7.816 11.745 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.080 8.879 10.515 1.00 0.00 C ATOM 1189 CE1 TYR A 72 3.864 7.237 10.583 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.613 8.305 9.348 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.505 7.485 9.388 1.00 0.00 C ATOM 1192 OH TYR A 72 4.038 6.910 8.228 1.00 0.00 O ATOM 0 H TYR A 72 3.576 9.941 13.057 1.00 0.00 H new ATOM 0 HA TYR A 72 4.909 7.957 14.333 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.068 10.351 12.854 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.961 8.888 13.218 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.832 7.620 12.679 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.949 9.520 10.481 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.997 6.594 10.611 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.113 8.497 8.410 1.00 0.00 H new ATOM 0 HH TYR A 72 3.705 6.009 8.421 1.00 0.00 H new ATOM 1202 N LYS A 73 5.799 10.881 15.601 1.00 0.00 N ATOM 1203 CA LYS A 73 6.413 11.517 16.761 1.00 0.00 C ATOM 1204 C LYS A 73 5.710 11.097 18.048 1.00 0.00 C ATOM 1205 O LYS A 73 6.354 10.865 19.072 1.00 0.00 O ATOM 1206 CB LYS A 73 6.370 13.040 16.616 1.00 0.00 C ATOM 1207 CG LYS A 73 7.337 13.766 17.534 1.00 0.00 C ATOM 1208 CD LYS A 73 7.812 15.073 16.922 1.00 0.00 C ATOM 1209 CE LYS A 73 8.533 15.938 17.945 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.324 17.021 17.297 1.00 0.00 N ATOM 0 H LYS A 73 5.431 11.533 14.908 1.00 0.00 H new ATOM 0 HA LYS A 73 7.452 11.193 16.814 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.595 13.305 15.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.357 13.388 16.821 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.852 13.966 18.490 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.195 13.126 17.739 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.480 14.863 16.086 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.959 15.619 16.519 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.805 16.378 18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.195 15.314 18.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.800 17.588 18.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.036 16.601 16.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.689 17.632 16.744 1.00 0.00 H new ATOM 1224 N LEU A 74 4.387 11.001 17.989 1.00 0.00 N ATOM 1225 CA LEU A 74 3.596 10.608 19.150 1.00 0.00 C ATOM 1226 C LEU A 74 3.920 9.178 19.570 1.00 0.00 C ATOM 1227 O LEU A 74 3.460 8.707 20.609 1.00 0.00 O ATOM 1228 CB LEU A 74 2.103 10.735 18.841 1.00 0.00 C ATOM 1229 CG LEU A 74 1.528 12.151 18.882 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.355 12.279 17.922 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.103 12.514 20.297 1.00 0.00 C ATOM 0 H LEU A 74 3.839 11.190 17.150 1.00 0.00 H new ATOM 0 HA LEU A 74 3.848 11.275 19.974 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.921 10.319 17.850 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.552 10.120 19.552 1.00 0.00 H new ATOM 0 HG LEU A 74 2.306 12.847 18.568 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.041 13.294 17.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.690 12.063 16.907 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.425 11.572 18.205 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.696 13.525 20.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.341 11.813 20.639 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.966 12.464 20.960 1.00 0.00 H new ATOM 1243 N ASN A 75 4.716 8.493 18.756 1.00 0.00 N ATOM 1244 CA ASN A 75 5.103 7.117 19.044 1.00 0.00 C ATOM 1245 C ASN A 75 3.930 6.165 18.829 1.00 0.00 C ATOM 1246 O ASN A 75 3.707 5.250 19.622 1.00 0.00 O ATOM 1247 CB ASN A 75 5.613 6.999 20.482 1.00 0.00 C ATOM 1248 CG ASN A 75 6.394 5.720 20.716 1.00 0.00 C ATOM 1249 OD1 ASN A 75 5.892 4.621 20.476 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.628 5.858 21.186 1.00 0.00 N ATOM 0 H ASN A 75 5.106 8.868 17.891 1.00 0.00 H new ATOM 0 HA ASN A 75 5.903 6.840 18.358 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.247 7.856 20.711 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.767 7.036 21.169 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.202 5.033 21.363 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.002 6.789 21.370 1.00 0.00 H new ATOM 1257 N ILE A 76 3.185 6.388 17.752 1.00 0.00 N ATOM 1258 CA ILE A 76 2.036 5.550 17.432 1.00 0.00 C ATOM 1259 C ILE A 76 2.311 4.686 16.205 1.00 0.00 C ATOM 1260 O ILE A 76 2.023 3.489 16.199 1.00 0.00 O ATOM 1261 CB ILE A 76 0.775 6.396 17.179 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.446 7.242 18.410 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.400 5.500 16.816 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.378 8.471 18.096 1.00 0.00 C ATOM 0 H ILE A 76 3.356 7.142 17.086 1.00 0.00 H new ATOM 0 HA ILE A 76 1.864 4.907 18.295 1.00 0.00 H new ATOM 0 HB ILE A 76 0.968 7.067 16.342 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.094 6.627 19.130 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.376 7.550 18.888 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.284 6.113 16.640 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.163 4.937 15.913 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.596 4.807 17.634 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.573 9.023 19.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.169 9.107 17.400 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.324 8.170 17.646 1.00 0.00 H new ATOM 1276 N ILE A 77 2.870 5.301 15.169 1.00 0.00 N ATOM 1277 CA ILE A 77 3.186 4.588 13.937 1.00 0.00 C ATOM 1278 C ILE A 77 4.647 4.785 13.548 1.00 0.00 C ATOM 1279 O ILE A 77 5.187 5.886 13.658 1.00 0.00 O ATOM 1280 CB ILE A 77 2.290 5.050 12.773 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.822 5.068 13.207 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.480 4.144 11.566 1.00 0.00 C ATOM 1283 CD1 ILE A 77 -0.076 5.843 12.269 1.00 0.00 C ATOM 0 H ILE A 77 3.114 6.291 15.158 1.00 0.00 H new ATOM 0 HA ILE A 77 3.002 3.531 14.128 1.00 0.00 H new ATOM 0 HB ILE A 77 2.579 6.063 12.491 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.460 4.042 13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.752 5.501 14.205 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.840 4.484 10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.522 4.177 11.247 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.215 3.121 11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.101 5.813 12.639 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.260 6.878 12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.036 5.397 11.275 1.00 0.00 H new ATOM 1295 N ARG A 78 5.282 3.711 13.090 1.00 0.00 N ATOM 1296 CA ARG A 78 6.681 3.765 12.683 1.00 0.00 C ATOM 1297 C ARG A 78 6.824 3.480 11.191 1.00 0.00 C ATOM 1298 O ARG A 78 6.334 2.467 10.691 1.00 0.00 O ATOM 1299 CB ARG A 78 7.507 2.760 13.487 1.00 0.00 C ATOM 1300 CG ARG A 78 8.989 3.095 13.541 1.00 0.00 C ATOM 1301 CD ARG A 78 9.256 4.298 14.432 1.00 0.00 C ATOM 1302 NE ARG A 78 9.192 5.554 13.689 1.00 0.00 N ATOM 1303 CZ ARG A 78 9.448 6.740 14.228 1.00 0.00 C ATOM 1304 NH1 ARG A 78 9.785 6.832 15.507 1.00 0.00 N ATOM 1305 NH2 ARG A 78 9.368 7.838 13.486 1.00 0.00 N ATOM 0 H ARG A 78 4.850 2.792 12.991 1.00 0.00 H new ATOM 0 HA ARG A 78 7.053 4.770 12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.117 2.712 14.504 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.383 1.769 13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.544 2.234 13.914 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.354 3.298 12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.527 4.318 15.242 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.240 4.198 14.891 1.00 0.00 H new ATOM 0 HE ARG A 78 8.937 5.518 12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.848 5.990 16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.981 7.745 15.918 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.110 7.771 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.565 8.749 13.900 1.00 0.00 H new ATOM 1319 N LYS A 79 7.499 4.380 10.484 1.00 0.00 N ATOM 1320 CA LYS A 79 7.709 4.226 9.049 1.00 0.00 C ATOM 1321 C LYS A 79 9.058 3.573 8.763 1.00 0.00 C ATOM 1322 O LYS A 79 10.091 4.241 8.757 1.00 0.00 O ATOM 1323 CB LYS A 79 7.631 5.587 8.353 1.00 0.00 C ATOM 1324 CG LYS A 79 7.497 5.490 6.843 1.00 0.00 C ATOM 1325 CD LYS A 79 7.162 6.838 6.226 1.00 0.00 C ATOM 1326 CE LYS A 79 6.973 6.730 4.721 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.260 6.888 3.988 1.00 0.00 N ATOM 0 H LYS A 79 7.910 5.224 10.882 1.00 0.00 H new ATOM 0 HA LYS A 79 6.923 3.579 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.780 6.141 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.526 6.161 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.428 5.115 6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.719 4.770 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.253 7.232 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.960 7.548 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.533 5.763 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.269 7.493 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.215 7.734 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.038 6.991 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.427 6.050 3.396 1.00 0.00 H new ATOM 1341 N GLU A 80 9.038 2.265 8.527 1.00 0.00 N ATOM 1342 CA GLU A 80 10.261 1.524 8.239 1.00 0.00 C ATOM 1343 C GLU A 80 10.985 2.115 7.033 1.00 0.00 C ATOM 1344 O GLU A 80 10.392 2.369 5.985 1.00 0.00 O ATOM 1345 CB GLU A 80 9.941 0.049 7.984 1.00 0.00 C ATOM 1346 CG GLU A 80 9.532 -0.710 9.235 1.00 0.00 C ATOM 1347 CD GLU A 80 10.685 -0.914 10.198 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.482 -1.850 9.979 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.791 -0.137 11.170 1.00 0.00 O ATOM 0 H GLU A 80 8.190 1.697 8.529 1.00 0.00 H new ATOM 0 HA GLU A 80 10.916 1.602 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.138 -0.018 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.815 -0.433 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.734 -0.166 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.126 -1.681 8.950 1.00 0.00 H new ATOM 1356 N PRO A 81 12.299 2.339 7.184 1.00 0.00 N ATOM 1357 CA PRO A 81 13.133 2.903 6.118 1.00 0.00 C ATOM 1358 C PRO A 81 13.332 1.929 4.962 1.00 0.00 C ATOM 1359 O PRO A 81 13.115 2.275 3.801 1.00 0.00 O ATOM 1360 CB PRO A 81 14.465 3.180 6.819 1.00 0.00 C ATOM 1361 CG PRO A 81 14.498 2.224 7.961 1.00 0.00 C ATOM 1362 CD PRO A 81 13.071 2.060 8.406 1.00 0.00 C ATOM 0 HA PRO A 81 12.680 3.787 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.307 3.021 6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.523 4.212 7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.924 1.268 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.118 2.606 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.880 1.055 8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.818 2.753 9.208 1.00 0.00 H new ATOM 1370 N GLY A 82 13.747 0.708 5.287 1.00 0.00 N ATOM 1371 CA GLY A 82 13.968 -0.297 4.264 1.00 0.00 C ATOM 1372 C GLY A 82 12.895 -0.281 3.193 1.00 0.00 C ATOM 1373 O GLY A 82 13.177 -0.522 2.020 1.00 0.00 O ATOM 0 H GLY A 82 13.934 0.397 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.941 -0.132 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.999 -1.283 4.728 1.00 0.00 H new ATOM 1377 N GLN A 83 11.661 0.003 3.598 1.00 0.00 N ATOM 1378 CA GLN A 83 10.543 0.047 2.664 1.00 0.00 C ATOM 1379 C GLN A 83 9.995 1.465 2.538 1.00 0.00 C ATOM 1380 O GLN A 83 9.836 2.170 3.534 1.00 0.00 O ATOM 1381 CB GLN A 83 9.433 -0.902 3.120 1.00 0.00 C ATOM 1382 CG GLN A 83 9.749 -2.369 2.876 1.00 0.00 C ATOM 1383 CD GLN A 83 9.684 -2.744 1.408 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.174 -2.013 0.546 1.00 0.00 O ATOM 1385 NE2 GLN A 83 9.076 -3.888 1.115 1.00 0.00 N ATOM 0 H GLN A 83 11.411 0.206 4.566 1.00 0.00 H new ATOM 0 HA GLN A 83 10.906 -0.272 1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.251 -0.750 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.511 -0.646 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.745 -2.591 3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.046 -2.986 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.684 -4.463 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.001 -4.192 0.144 1.00 0.00 H new ATOM 1394 N ARG A 84 9.708 1.875 1.306 1.00 0.00 N ATOM 1395 CA ARG A 84 9.180 3.209 1.050 1.00 0.00 C ATOM 1396 C ARG A 84 7.848 3.413 1.765 1.00 0.00 C ATOM 1397 O ARG A 84 7.761 4.168 2.735 1.00 0.00 O ATOM 1398 CB ARG A 84 9.003 3.430 -0.454 1.00 0.00 C ATOM 1399 CG ARG A 84 10.299 3.752 -1.179 1.00 0.00 C ATOM 1400 CD ARG A 84 10.999 2.489 -1.656 1.00 0.00 C ATOM 1401 NE ARG A 84 11.805 2.728 -2.850 1.00 0.00 N ATOM 1402 CZ ARG A 84 12.540 1.791 -3.440 1.00 0.00 C ATOM 1403 NH1 ARG A 84 12.570 0.560 -2.948 1.00 0.00 N ATOM 1404 NH2 ARG A 84 13.246 2.085 -4.524 1.00 0.00 N ATOM 0 H ARG A 84 9.832 1.303 0.471 1.00 0.00 H new ATOM 0 HA ARG A 84 9.895 3.936 1.436 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.563 2.536 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.296 4.244 -0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.089 4.397 -2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.961 4.307 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.636 2.105 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.256 1.721 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 84 11.804 3.665 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.028 0.330 -2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.135 -0.157 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.225 3.031 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.810 1.365 -4.976 1.00 0.00 H new ATOM 1418 N LEU A 85 6.812 2.737 1.280 1.00 0.00 N ATOM 1419 CA LEU A 85 5.483 2.845 1.872 1.00 0.00 C ATOM 1420 C LEU A 85 5.239 1.716 2.869 1.00 0.00 C ATOM 1421 O LEU A 85 4.523 0.758 2.574 1.00 0.00 O ATOM 1422 CB LEU A 85 4.413 2.817 0.780 1.00 0.00 C ATOM 1423 CG LEU A 85 4.257 4.099 -0.040 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.177 4.072 -1.250 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.810 4.284 -0.471 1.00 0.00 C ATOM 0 H LEU A 85 6.867 2.108 0.479 1.00 0.00 H new ATOM 0 HA LEU A 85 5.424 3.794 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.640 1.998 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.454 2.588 1.245 1.00 0.00 H new ATOM 0 HG LEU A 85 4.539 4.945 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.053 4.992 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.212 3.988 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.927 3.217 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.718 5.201 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.500 3.435 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.173 4.349 0.411 1.00 0.00 H new ATOM 1437 N LEU A 86 5.836 1.836 4.049 1.00 0.00 N ATOM 1438 CA LEU A 86 5.681 0.826 5.091 1.00 0.00 C ATOM 1439 C LEU A 86 5.419 1.477 6.445 1.00 0.00 C ATOM 1440 O LEU A 86 6.171 2.348 6.883 1.00 0.00 O ATOM 1441 CB LEU A 86 6.931 -0.051 5.168 1.00 0.00 C ATOM 1442 CG LEU A 86 6.709 -1.499 5.606 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.829 -1.553 6.845 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.092 -2.310 4.476 1.00 0.00 C ATOM 0 H LEU A 86 6.432 2.622 4.309 1.00 0.00 H new ATOM 0 HA LEU A 86 4.823 0.204 4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.406 -0.058 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.634 0.413 5.860 1.00 0.00 H new ATOM 0 HG LEU A 86 7.677 -1.936 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.682 -2.591 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.310 -1.008 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.863 -1.098 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.941 -3.338 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.133 -1.874 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.759 -2.300 3.614 1.00 0.00 H new ATOM 1456 N PHE A 87 4.348 1.048 7.105 1.00 0.00 N ATOM 1457 CA PHE A 87 3.988 1.588 8.411 1.00 0.00 C ATOM 1458 C PHE A 87 3.741 0.465 9.414 1.00 0.00 C ATOM 1459 O PHE A 87 3.232 -0.598 9.059 1.00 0.00 O ATOM 1460 CB PHE A 87 2.741 2.468 8.296 1.00 0.00 C ATOM 1461 CG PHE A 87 2.773 3.401 7.119 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.743 4.387 7.026 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.833 3.293 6.107 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.773 5.247 5.945 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.860 4.150 5.023 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.832 5.128 4.942 1.00 0.00 C ATOM 0 H PHE A 87 3.715 0.328 6.757 1.00 0.00 H new ATOM 0 HA PHE A 87 4.820 2.194 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.861 1.829 8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.633 3.052 9.210 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.483 4.484 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.070 2.530 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.533 6.012 5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.122 4.055 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.856 5.798 4.096 1.00 0.00 H new ATOM 1476 N ARG A 88 4.105 0.711 10.669 1.00 0.00 N ATOM 1477 CA ARG A 88 3.924 -0.279 11.724 1.00 0.00 C ATOM 1478 C ARG A 88 3.257 0.344 12.946 1.00 0.00 C ATOM 1479 O ARG A 88 3.774 1.297 13.530 1.00 0.00 O ATOM 1480 CB ARG A 88 5.272 -0.886 12.119 1.00 0.00 C ATOM 1481 CG ARG A 88 5.290 -1.467 13.523 1.00 0.00 C ATOM 1482 CD ARG A 88 6.659 -2.027 13.877 1.00 0.00 C ATOM 1483 NE ARG A 88 6.688 -2.594 15.222 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.719 -3.275 15.711 1.00 0.00 C ATOM 1485 NH1 ARG A 88 8.800 -3.471 14.969 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.670 -3.760 16.945 1.00 0.00 N ATOM 0 H ARG A 88 4.526 1.586 10.979 1.00 0.00 H new ATOM 0 HA ARG A 88 3.276 -1.067 11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.530 -1.670 11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.043 -0.119 12.042 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.015 -0.694 14.241 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.542 -2.256 13.601 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.934 -2.795 13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.405 -1.236 13.801 1.00 0.00 H new ATOM 0 HE ARG A 88 5.872 -2.460 15.819 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.842 -3.099 14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.590 -3.994 15.347 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.840 -3.610 17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.462 -4.283 17.319 1.00 0.00 H new ATOM 1500 N PHE A 89 2.106 -0.199 13.328 1.00 0.00 N ATOM 1501 CA PHE A 89 1.367 0.304 14.479 1.00 0.00 C ATOM 1502 C PHE A 89 2.009 -0.162 15.783 1.00 0.00 C ATOM 1503 O PHE A 89 1.696 -1.239 16.291 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.090 -0.160 14.420 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.996 0.799 13.703 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.303 2.030 14.259 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.540 0.469 12.472 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -2.136 2.916 13.601 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.374 1.351 11.809 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.673 2.575 12.375 1.00 0.00 C ATOM 0 H PHE A 89 1.665 -0.988 12.856 1.00 0.00 H new ATOM 0 HA PHE A 89 1.395 1.393 14.449 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.134 -1.129 13.924 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.458 -0.305 15.436 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.887 2.301 15.218 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.310 -0.487 12.025 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.366 3.873 14.045 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.791 1.083 10.850 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.326 3.264 11.860 1.00 0.00 H new ATOM 1520 N MET A 90 2.907 0.657 16.319 1.00 0.00 N ATOM 1521 CA MET A 90 3.593 0.330 17.564 1.00 0.00 C ATOM 1522 C MET A 90 2.595 0.167 18.707 1.00 0.00 C ATOM 1523 O MET A 90 2.319 -0.949 19.149 1.00 0.00 O ATOM 1524 CB MET A 90 4.611 1.417 17.912 1.00 0.00 C ATOM 1525 CG MET A 90 5.622 1.679 16.807 1.00 0.00 C ATOM 1526 SD MET A 90 6.409 3.295 16.955 1.00 0.00 S ATOM 1527 CE MET A 90 7.977 2.841 17.692 1.00 0.00 C ATOM 0 H MET A 90 3.177 1.552 15.911 1.00 0.00 H new ATOM 0 HA MET A 90 4.117 -0.616 17.424 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.080 2.343 18.135 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.143 1.129 18.819 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.387 0.903 16.828 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.124 1.609 15.840 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.579 3.736 17.846 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.801 2.353 18.650 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.507 2.157 17.028 1.00 0.00 H new ATOM 1537 N LYS A 91 2.058 1.285 19.182 1.00 0.00 N ATOM 1538 CA LYS A 91 1.090 1.267 20.273 1.00 0.00 C ATOM 1539 C LYS A 91 -0.335 1.191 19.734 1.00 0.00 C ATOM 1540 O LYS A 91 -0.620 1.661 18.632 1.00 0.00 O ATOM 1541 CB LYS A 91 1.252 2.513 21.146 1.00 0.00 C ATOM 1542 CG LYS A 91 0.363 2.512 22.377 1.00 0.00 C ATOM 1543 CD LYS A 91 1.015 1.776 23.536 1.00 0.00 C ATOM 1544 CE LYS A 91 0.024 1.516 24.660 1.00 0.00 C ATOM 1545 NZ LYS A 91 0.697 1.443 25.986 1.00 0.00 N ATOM 0 H LYS A 91 2.277 2.216 18.828 1.00 0.00 H new ATOM 0 HA LYS A 91 1.278 0.380 20.879 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.293 2.594 21.460 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.030 3.397 20.548 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.148 3.539 22.672 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.591 2.043 22.137 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.423 0.829 23.183 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.852 2.362 23.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.724 2.309 24.675 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.505 0.582 24.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.012 1.265 26.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.393 0.670 25.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.181 2.343 26.180 1.00 0.00 H new ATOM 1559 N THR A 92 -1.229 0.598 20.520 1.00 0.00 N ATOM 1560 CA THR A 92 -2.624 0.462 20.123 1.00 0.00 C ATOM 1561 C THR A 92 -3.280 1.826 19.942 1.00 0.00 C ATOM 1562 O THR A 92 -3.184 2.706 20.798 1.00 0.00 O ATOM 1563 CB THR A 92 -3.427 -0.348 21.158 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.605 -1.380 21.716 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.663 -0.965 20.523 1.00 0.00 C ATOM 0 H THR A 92 -1.011 0.204 21.435 1.00 0.00 H new ATOM 0 HA THR A 92 -2.631 -0.070 19.172 1.00 0.00 H new ATOM 0 HB THR A 92 -3.746 0.330 21.949 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.122 -1.890 22.374 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.213 -1.532 21.274 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.300 -0.175 20.125 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.363 -1.631 19.714 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.965 2.008 18.804 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.652 3.263 18.485 1.00 0.00 C ATOM 1575 C PRO A 93 -5.871 3.498 19.371 1.00 0.00 C ATOM 1576 O PRO A 93 -6.273 4.639 19.601 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.079 3.075 17.027 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.178 1.599 16.850 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.122 1.003 17.739 1.00 0.00 C ATOM 0 HA PRO A 93 -4.011 4.130 18.647 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.033 3.563 16.828 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.350 3.508 16.342 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.169 1.239 17.126 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.015 1.319 15.809 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.432 0.038 18.140 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.189 0.839 17.200 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.455 2.412 19.865 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.628 2.499 20.727 1.00 0.00 C ATOM 1589 C ASP A 94 -7.230 2.875 22.151 1.00 0.00 C ATOM 1590 O ASP A 94 -8.085 3.130 22.997 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.386 1.171 20.730 1.00 0.00 C ATOM 1592 CG ASP A 94 -8.499 0.566 19.344 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.331 1.052 18.551 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -7.755 -0.395 19.054 1.00 0.00 O ATOM 0 H ASP A 94 -6.135 1.461 19.683 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.280 3.279 20.333 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.878 0.468 21.390 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.385 1.327 21.138 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.925 2.904 22.406 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.414 3.247 23.728 1.00 0.00 C ATOM 1601 C GLU A 95 -5.369 4.760 23.919 1.00 0.00 C ATOM 1602 O GLU A 95 -5.848 5.283 24.926 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.017 2.655 23.928 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.028 1.261 24.533 1.00 0.00 C ATOM 1605 CD GLU A 95 -5.274 0.476 24.169 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.685 0.531 22.991 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -5.837 -0.191 25.061 1.00 0.00 O ATOM 0 H GLU A 95 -5.204 2.694 21.716 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.090 2.825 24.471 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.505 2.621 22.966 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.440 3.317 24.573 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.147 0.715 24.194 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.957 1.339 25.618 1.00 0.00 H new ATOM 1614 N ILE A 96 -4.791 5.456 22.947 1.00 0.00 N ATOM 1615 CA ILE A 96 -4.684 6.909 23.007 1.00 0.00 C ATOM 1616 C ILE A 96 -6.057 7.555 23.153 1.00 0.00 C ATOM 1617 O ILE A 96 -6.250 8.448 23.978 1.00 0.00 O ATOM 1618 CB ILE A 96 -3.993 7.475 21.753 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -2.530 7.028 21.705 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -4.089 8.993 21.735 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -2.336 5.662 21.084 1.00 0.00 C ATOM 0 H ILE A 96 -4.389 5.038 22.108 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.079 7.145 23.882 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.501 7.088 20.870 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.953 7.760 21.140 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.128 7.018 22.718 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.596 9.378 20.842 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.137 9.291 21.728 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.603 9.399 22.622 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.276 5.410 21.083 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.885 4.918 21.662 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.707 5.672 20.059 1.00 0.00 H new ATOM 1633 N MET A 97 -7.010 7.097 22.347 1.00 0.00 N ATOM 1634 CA MET A 97 -8.367 7.629 22.389 1.00 0.00 C ATOM 1635 C MET A 97 -8.792 7.923 23.824 1.00 0.00 C ATOM 1636 O MET A 97 -9.410 8.951 24.100 1.00 0.00 O ATOM 1637 CB MET A 97 -9.344 6.643 21.746 1.00 0.00 C ATOM 1638 CG MET A 97 -8.979 6.268 20.319 1.00 0.00 C ATOM 1639 SD MET A 97 -10.316 5.415 19.461 1.00 0.00 S ATOM 1640 CE MET A 97 -9.644 5.314 17.804 1.00 0.00 C ATOM 0 H MET A 97 -6.867 6.359 21.657 1.00 0.00 H new ATOM 0 HA MET A 97 -8.382 8.563 21.827 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.385 5.738 22.352 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.344 7.077 21.754 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.715 7.170 19.767 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.095 5.631 20.330 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.357 4.810 17.152 1.00 0.00 H new ATOM 0 HE2 MET A 97 -9.455 6.319 17.426 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.710 4.752 17.824 1.00 0.00 H new ATOM 1650 N SER A 98 -8.458 7.013 24.733 1.00 0.00 N ATOM 1651 CA SER A 98 -8.809 7.172 26.139 1.00 0.00 C ATOM 1652 C SER A 98 -7.593 7.596 26.958 1.00 0.00 C ATOM 1653 O SER A 98 -6.698 6.794 27.221 1.00 0.00 O ATOM 1654 CB SER A 98 -9.383 5.867 26.695 1.00 0.00 C ATOM 1655 OG SER A 98 -10.500 5.438 25.936 1.00 0.00 O ATOM 0 H SER A 98 -7.945 6.158 24.521 1.00 0.00 H new ATOM 0 HA SER A 98 -9.566 7.953 26.213 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.614 5.094 26.685 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.679 6.010 27.734 1.00 0.00 H new ATOM 0 HG SER A 98 -10.848 4.602 26.310 1.00 0.00 H new ATOM 1661 N GLY A 99 -7.570 8.864 27.358 1.00 0.00 N ATOM 1662 CA GLY A 99 -6.460 9.373 28.143 1.00 0.00 C ATOM 1663 C GLY A 99 -6.839 10.593 28.960 1.00 0.00 C ATOM 1664 O GLY A 99 -6.426 10.730 30.111 1.00 0.00 O ATOM 0 H GLY A 99 -8.299 9.547 27.153 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.102 8.589 28.811 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.635 9.627 27.478 1.00 0.00 H new ATOM 1668 N ARG A 100 -7.627 11.481 28.363 1.00 0.00 N ATOM 1669 CA ARG A 100 -8.060 12.697 29.041 1.00 0.00 C ATOM 1670 C ARG A 100 -6.909 13.692 29.160 1.00 0.00 C ATOM 1671 O ARG A 100 -6.792 14.408 30.155 1.00 0.00 O ATOM 1672 CB ARG A 100 -8.606 12.364 30.431 1.00 0.00 C ATOM 1673 CG ARG A 100 -9.495 13.450 31.013 1.00 0.00 C ATOM 1674 CD ARG A 100 -10.831 13.523 30.290 1.00 0.00 C ATOM 1675 NE ARG A 100 -10.771 14.390 29.116 1.00 0.00 N ATOM 1676 CZ ARG A 100 -10.753 15.717 29.182 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -10.789 16.325 30.360 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -10.698 16.437 28.070 1.00 0.00 N ATOM 0 H ARG A 100 -7.979 11.381 27.411 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.852 13.153 28.446 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -9.172 11.434 30.376 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.770 12.189 31.108 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.663 13.255 32.072 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.989 14.413 30.943 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.134 12.521 29.986 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.594 13.892 30.975 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.741 13.953 28.195 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.831 15.774 31.217 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.775 17.344 30.409 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.669 15.972 27.162 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.684 17.456 28.122 1.00 0.00 H new ATOM 1692 N THR A 101 -6.059 13.730 28.139 1.00 0.00 N ATOM 1693 CA THR A 101 -4.916 14.635 28.129 1.00 0.00 C ATOM 1694 C THR A 101 -4.401 14.856 26.712 1.00 0.00 C ATOM 1695 O THR A 101 -4.107 13.901 25.992 1.00 0.00 O ATOM 1696 CB THR A 101 -3.767 14.098 29.003 1.00 0.00 C ATOM 1697 OG1 THR A 101 -4.257 13.761 30.305 1.00 0.00 O ATOM 1698 CG2 THR A 101 -2.654 15.128 29.125 1.00 0.00 C ATOM 0 H THR A 101 -6.140 13.144 27.308 1.00 0.00 H new ATOM 0 HA THR A 101 -5.261 15.584 28.539 1.00 0.00 H new ATOM 0 HB THR A 101 -3.364 13.205 28.526 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.068 14.279 30.494 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.854 14.727 29.747 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.263 15.360 28.134 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.047 16.036 29.582 1.00 0.00 H new ATOM 1706 N ASP A 102 -4.295 16.120 26.316 1.00 0.00 N ATOM 1707 CA ASP A 102 -3.814 16.466 24.984 1.00 0.00 C ATOM 1708 C ASP A 102 -4.365 15.500 23.939 1.00 0.00 C ATOM 1709 O ASP A 102 -3.614 14.942 23.138 1.00 0.00 O ATOM 1710 CB ASP A 102 -2.284 16.454 24.951 1.00 0.00 C ATOM 1711 CG ASP A 102 -1.712 15.064 25.152 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -1.665 14.603 26.312 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -1.313 14.437 24.148 1.00 0.00 O ATOM 0 H ASP A 102 -4.536 16.922 26.899 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.167 17.470 24.747 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -1.941 16.850 23.995 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.901 17.117 25.727 1.00 0.00 H new ATOM 1718 N ARG A 103 -5.680 15.308 23.954 1.00 0.00 N ATOM 1719 CA ARG A 103 -6.331 14.408 23.010 1.00 0.00 C ATOM 1720 C ARG A 103 -5.633 14.446 21.653 1.00 0.00 C ATOM 1721 O ARG A 103 -5.317 15.518 21.136 1.00 0.00 O ATOM 1722 CB ARG A 103 -7.805 14.784 22.848 1.00 0.00 C ATOM 1723 CG ARG A 103 -8.722 14.096 23.846 1.00 0.00 C ATOM 1724 CD ARG A 103 -10.175 14.161 23.404 1.00 0.00 C ATOM 1725 NE ARG A 103 -10.846 15.359 23.900 1.00 0.00 N ATOM 1726 CZ ARG A 103 -10.759 16.547 23.312 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -10.033 16.694 22.212 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -11.398 17.591 23.824 1.00 0.00 N ATOM 0 H ARG A 103 -6.315 15.764 24.609 1.00 0.00 H new ATOM 0 HA ARG A 103 -6.263 13.395 23.406 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.910 15.864 22.955 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.127 14.531 21.838 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.421 13.054 23.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.616 14.567 24.823 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -10.224 14.143 22.315 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.702 13.276 23.761 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.413 15.279 24.744 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.540 15.894 21.816 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.968 17.607 21.762 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.957 17.482 24.670 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.330 18.503 23.371 1.00 0.00 H new ATOM 1742 N LEU A 104 -5.396 13.270 21.082 1.00 0.00 N ATOM 1743 CA LEU A 104 -4.736 13.169 19.785 1.00 0.00 C ATOM 1744 C LEU A 104 -5.658 13.640 18.666 1.00 0.00 C ATOM 1745 O LEU A 104 -5.200 14.002 17.583 1.00 0.00 O ATOM 1746 CB LEU A 104 -4.296 11.727 19.527 1.00 0.00 C ATOM 1747 CG LEU A 104 -4.050 11.352 18.065 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -3.009 10.248 17.965 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -5.349 10.925 17.397 1.00 0.00 C ATOM 0 H LEU A 104 -5.651 12.374 21.497 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.857 13.814 19.801 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.380 11.542 20.088 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.057 11.058 19.930 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.669 12.231 17.544 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.847 9.994 16.917 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.072 10.590 18.404 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.361 9.367 18.501 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.154 10.662 16.357 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.760 10.061 17.919 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.065 11.746 17.435 1.00 0.00 H new ATOM 1761 N GLU A 105 -6.960 13.634 18.937 1.00 0.00 N ATOM 1762 CA GLU A 105 -7.946 14.062 17.951 1.00 0.00 C ATOM 1763 C GLU A 105 -7.668 15.489 17.488 1.00 0.00 C ATOM 1764 O GLU A 105 -8.005 15.866 16.365 1.00 0.00 O ATOM 1765 CB GLU A 105 -9.357 13.969 18.536 1.00 0.00 C ATOM 1766 CG GLU A 105 -9.953 12.573 18.470 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.191 11.573 19.317 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -9.115 11.773 20.547 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -8.672 10.589 18.749 1.00 0.00 O ATOM 0 H GLU A 105 -7.356 13.338 19.829 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.873 13.399 17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.332 14.295 19.576 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.009 14.659 18.001 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.991 12.609 18.802 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.962 12.234 17.434 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.052 16.279 18.362 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.729 17.665 18.044 1.00 0.00 C ATOM 1778 C HIS A 106 -6.106 17.773 16.655 1.00 0.00 C ATOM 1779 O HIS A 106 -6.231 18.798 15.985 1.00 0.00 O ATOM 1780 CB HIS A 106 -5.774 18.242 19.090 1.00 0.00 C ATOM 1781 CG HIS A 106 -5.930 19.717 19.294 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -5.005 20.640 18.853 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -6.911 20.429 19.896 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -5.410 21.855 19.176 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -6.565 21.755 19.809 1.00 0.00 N ATOM 0 H HIS A 106 -6.767 15.983 19.295 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.656 18.239 18.053 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.938 17.733 20.040 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.748 18.032 18.788 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.801 20.029 20.359 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -4.886 22.774 18.959 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.111 22.536 20.174 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.434 16.709 16.230 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.790 16.683 14.921 1.00 0.00 C ATOM 1796 C LEU A 107 -5.717 16.081 13.870 1.00 0.00 C ATOM 1797 O LEU A 107 -5.263 15.448 12.917 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.488 15.883 14.987 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.371 16.487 15.839 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.388 15.411 16.272 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.654 17.590 15.074 1.00 0.00 C ATOM 0 H LEU A 107 -5.321 15.853 16.773 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.564 17.710 14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.715 14.889 15.373 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.113 15.753 13.972 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.818 16.923 16.733 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.600 15.860 16.877 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.911 14.656 16.859 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.947 14.945 15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.862 18.008 15.696 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.220 17.178 14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.365 18.375 14.815 1.00 0.00 H new ATOM 1813 N GLU A 108 -7.018 16.286 14.049 1.00 0.00 N ATOM 1814 CA GLU A 108 -8.009 15.764 13.115 1.00 0.00 C ATOM 1815 C GLU A 108 -7.963 16.525 11.793 1.00 0.00 C ATOM 1816 O GLU A 108 -7.970 15.924 10.718 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.411 15.856 13.720 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.498 15.282 12.826 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.863 15.877 13.113 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.088 16.321 14.258 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -12.707 15.897 12.193 1.00 0.00 O ATOM 0 H GLU A 108 -7.410 16.809 14.832 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.773 14.718 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.421 15.329 14.674 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.639 16.901 13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.239 15.463 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.541 14.201 12.961 1.00 0.00 H new ATOM 1828 N SER A 109 -7.917 17.850 11.880 1.00 0.00 N ATOM 1829 CA SER A 109 -7.874 18.694 10.692 1.00 0.00 C ATOM 1830 C SER A 109 -6.768 19.738 10.806 1.00 0.00 C ATOM 1831 O SER A 109 -6.983 20.918 10.529 1.00 0.00 O ATOM 1832 CB SER A 109 -9.223 19.385 10.483 1.00 0.00 C ATOM 1833 OG SER A 109 -9.407 19.743 9.124 1.00 0.00 O ATOM 0 H SER A 109 -7.909 18.363 12.762 1.00 0.00 H new ATOM 0 HA SER A 109 -7.662 18.058 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.028 18.722 10.800 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.279 20.276 11.108 1.00 0.00 H new ATOM 0 HG SER A 109 -10.277 20.182 9.016 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.585 19.295 11.218 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.444 20.191 11.370 1.00 0.00 C ATOM 1841 C GLN A 110 -3.680 20.327 10.057 1.00 0.00 C ATOM 1842 O GLN A 110 -3.517 21.429 9.536 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.509 19.678 12.467 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.421 20.668 12.850 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.399 20.868 11.748 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -0.935 19.906 11.134 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.044 22.121 11.490 1.00 0.00 N ATOM 0 H GLN A 110 -5.391 18.321 11.453 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.821 21.174 11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.098 19.438 13.352 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.044 18.751 12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.878 21.627 13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.916 20.316 13.749 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.454 22.887 12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.361 22.317 10.758 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.214 19.199 9.529 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.466 19.195 8.278 1.00 0.00 C ATOM 1858 C GLU A 111 -3.363 19.587 7.107 1.00 0.00 C ATOM 1859 O GLU A 111 -3.102 20.571 6.413 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.857 17.814 8.027 1.00 0.00 C ATOM 1861 CG GLU A 111 -0.696 17.484 8.950 1.00 0.00 C ATOM 1862 CD GLU A 111 0.561 18.261 8.607 1.00 0.00 C ATOM 1863 OE1 GLU A 111 0.645 19.448 8.984 1.00 0.00 O ATOM 1864 OE2 GLU A 111 1.459 17.682 7.961 1.00 0.00 O ATOM 0 H GLU A 111 -3.341 18.278 9.948 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.664 19.929 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.632 17.057 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.515 17.759 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.982 17.700 9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.485 16.416 8.895 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.419 18.811 6.892 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.355 19.076 5.805 1.00 0.00 C ATOM 1873 C LEU A 112 -5.616 20.572 5.664 1.00 0.00 C ATOM 1874 O LEU A 112 -5.337 21.166 4.622 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.672 18.337 6.048 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.623 16.815 5.912 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.960 16.201 6.296 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.238 16.418 4.494 1.00 0.00 C ATOM 0 H LEU A 112 -4.649 17.993 7.456 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.909 18.715 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.023 18.581 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.415 18.720 5.349 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.863 16.433 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.906 15.117 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.194 16.456 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.740 16.589 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.208 15.331 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.974 16.812 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.256 16.826 4.256 1.00 0.00 H new ATOM 1890 N SER A 113 -6.152 21.176 6.720 1.00 0.00 N ATOM 1891 CA SER A 113 -6.452 22.603 6.713 1.00 0.00 C ATOM 1892 C SER A 113 -6.736 23.105 8.126 1.00 0.00 C ATOM 1893 O SER A 113 -7.658 22.635 8.790 1.00 0.00 O ATOM 1894 CB SER A 113 -7.652 22.889 5.808 1.00 0.00 C ATOM 1895 OG SER A 113 -7.867 24.283 5.671 1.00 0.00 O ATOM 0 H SER A 113 -6.387 20.700 7.591 1.00 0.00 H new ATOM 0 HA SER A 113 -5.580 23.131 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.485 22.445 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.544 22.419 6.222 1.00 0.00 H new ATOM 0 HG SER A 113 -8.638 24.439 5.087 1.00 0.00 H new ATOM 1901 N GLY A 114 -5.934 24.064 8.579 1.00 0.00 N ATOM 1902 CA GLY A 114 -6.113 24.614 9.909 1.00 0.00 C ATOM 1903 C GLY A 114 -7.081 25.780 9.928 1.00 0.00 C ATOM 1904 O GLY A 114 -8.033 25.838 9.149 1.00 0.00 O ATOM 0 H GLY A 114 -5.163 24.470 8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.477 23.833 10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.148 24.940 10.297 1.00 0.00 H new ATOM 1908 N PRO A 115 -6.844 26.737 10.838 1.00 0.00 N ATOM 1909 CA PRO A 115 -7.692 27.924 10.978 1.00 0.00 C ATOM 1910 C PRO A 115 -7.555 28.878 9.796 1.00 0.00 C ATOM 1911 O PRO A 115 -8.507 29.564 9.427 1.00 0.00 O ATOM 1912 CB PRO A 115 -7.172 28.582 12.259 1.00 0.00 C ATOM 1913 CG PRO A 115 -5.760 28.123 12.375 1.00 0.00 C ATOM 1914 CD PRO A 115 -5.728 26.734 11.799 1.00 0.00 C ATOM 0 HA PRO A 115 -8.751 27.666 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -7.231 29.669 12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -7.759 28.279 13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -5.088 28.787 11.831 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -5.434 28.122 13.415 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -4.777 26.524 11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -5.864 25.976 12.570 1.00 0.00 H new ATOM 1922 N SER A 116 -6.364 28.914 9.206 1.00 0.00 N ATOM 1923 CA SER A 116 -6.102 29.786 8.067 1.00 0.00 C ATOM 1924 C SER A 116 -7.339 29.911 7.182 1.00 0.00 C ATOM 1925 O SER A 116 -7.894 28.910 6.729 1.00 0.00 O ATOM 1926 CB SER A 116 -4.927 29.251 7.248 1.00 0.00 C ATOM 1927 OG SER A 116 -5.279 28.057 6.570 1.00 0.00 O ATOM 0 H SER A 116 -5.566 28.350 9.498 1.00 0.00 H new ATOM 0 HA SER A 116 -5.849 30.775 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 116 -4.611 30.003 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.078 29.063 7.905 1.00 0.00 H new ATOM 0 HG SER A 116 -6.254 27.963 6.558 1.00 0.00 H new ATOM 1933 N SER A 117 -7.765 31.147 6.941 1.00 0.00 N ATOM 1934 CA SER A 117 -8.938 31.404 6.114 1.00 0.00 C ATOM 1935 C SER A 117 -8.528 31.804 4.700 1.00 0.00 C ATOM 1936 O SER A 117 -8.087 32.927 4.464 1.00 0.00 O ATOM 1937 CB SER A 117 -9.797 32.504 6.739 1.00 0.00 C ATOM 1938 OG SER A 117 -10.514 32.016 7.860 1.00 0.00 O ATOM 0 H SER A 117 -7.315 31.986 7.307 1.00 0.00 H new ATOM 0 HA SER A 117 -9.522 30.485 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.163 33.336 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 117 -10.495 32.890 5.997 1.00 0.00 H new ATOM 0 HG SER A 117 -11.054 32.739 8.243 1.00 0.00 H new ATOM 1944 N GLY A 118 -8.678 30.874 3.762 1.00 0.00 N ATOM 1945 CA GLY A 118 -8.320 31.147 2.382 1.00 0.00 C ATOM 1946 C GLY A 118 -7.053 31.972 2.265 1.00 0.00 C ATOM 1947 O GLY A 118 -5.947 31.439 2.354 1.00 0.00 O ATOM 0 H GLY A 118 -9.041 29.936 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.187 30.204 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.140 31.674 1.894 1.00 0.00 H new TER 1951 GLY A 118