USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 819 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 42 HIS : no HD1:sc= -1.22 X(o=-4.1,f=-3.9) USER MOD Set 1.2: A 90 ASN : amide:sc= -2.85! C(o=-4.1!,f=-4.2!) USER MOD Set 2.1: A 31 TYR OH : rot -176:sc= -0.959 USER MOD Set 2.2: A 36 ASN : amide:sc= -1.97 K(o=-2.9,f=-4.5) USER MOD Set 3.1: A 17 THR OG1 : rot 140:sc= -0.0386 USER MOD Set 3.2: A 101 MET CE :methyl -130:sc= -0.068 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.0806 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 26 MET CE :methyl -117:sc= -3.65! (180deg=-6.27!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -145:sc= -0.0867 (180deg=-1.79) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.3!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.951 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0554 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 9:sc= -0.153 USER MOD Single : A 55 ASN : amide:sc= -2.29 K(o=-2.3,f=-6.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -157:sc= -0.103 (180deg=-0.577) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.0144 USER MOD Single : A 71 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.45) USER MOD Single : A 72 SER OG : rot 42:sc= 0.524 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.952 X(o=-0.95,f=-0.51) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.64! C(o=-4.1!,f=-2.6!) USER MOD Single : A 80 THR OG1 : rot 63:sc= -0.0713 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 159:sc= -9.42! USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-0.543!) USER MOD Single : A 86 MET CE :methyl -146:sc= -1.1 (180deg=-4.76!) USER MOD Single : A 87 GLN : amide:sc= -6.98! C(o=-7!,f=-18!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.191 USER MOD Single : A 95 SER OG : rot -88:sc= -2.58 USER MOD Single : A 98 SER OG : rot 130:sc= -0.0422 USER MOD Single : A 99 ASN : amide:sc= -0.431 K(o=-0.43,f=-7.3!) USER MOD Single : A 103 CYS SG : rot -56:sc= -0.206 USER MOD Single : A 105 THR OG1 : rot -148:sc= 1.95 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.450 11.566 -11.792 1.00 0.00 N ATOM 2 CA GLY A 1 28.350 12.092 -11.005 1.00 0.00 C ATOM 3 C GLY A 1 27.123 12.384 -11.846 1.00 0.00 C ATOM 4 O GLY A 1 27.212 13.057 -12.873 1.00 0.00 O ATOM 0 H1 GLY A 1 30.264 11.383 -11.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.157 10.679 -12.249 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.718 12.259 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.090 11.376 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.670 13.006 -10.505 1.00 0.00 H new ATOM 8 N SER A 2 25.974 11.877 -11.411 1.00 0.00 N ATOM 9 CA SER A 2 24.725 12.083 -12.134 1.00 0.00 C ATOM 10 C SER A 2 24.515 13.561 -12.445 1.00 0.00 C ATOM 11 O SER A 2 25.273 14.417 -11.990 1.00 0.00 O ATOM 12 CB SER A 2 23.545 11.549 -11.319 1.00 0.00 C ATOM 13 OG SER A 2 23.536 10.132 -11.303 1.00 0.00 O ATOM 0 H SER A 2 25.882 11.320 -10.561 1.00 0.00 H new ATOM 0 HA SER A 2 24.784 11.536 -13.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.603 11.927 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.610 11.917 -11.742 1.00 0.00 H new ATOM 0 HG SER A 2 22.774 9.816 -10.775 1.00 0.00 H new ATOM 19 N SER A 3 23.479 13.854 -13.226 1.00 0.00 N ATOM 20 CA SER A 3 23.170 15.228 -13.602 1.00 0.00 C ATOM 21 C SER A 3 22.285 15.893 -12.553 1.00 0.00 C ATOM 22 O SER A 3 22.554 17.010 -12.114 1.00 0.00 O ATOM 23 CB SER A 3 22.478 15.262 -14.966 1.00 0.00 C ATOM 24 OG SER A 3 23.390 14.964 -16.009 1.00 0.00 O ATOM 0 H SER A 3 22.840 13.158 -13.610 1.00 0.00 H new ATOM 0 HA SER A 3 24.107 15.781 -13.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.658 14.544 -14.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.041 16.247 -15.131 1.00 0.00 H new ATOM 0 HG SER A 3 22.922 14.991 -16.870 1.00 0.00 H new ATOM 30 N GLY A 4 21.225 15.196 -12.155 1.00 0.00 N ATOM 31 CA GLY A 4 20.314 15.733 -11.160 1.00 0.00 C ATOM 32 C GLY A 4 18.910 15.180 -11.300 1.00 0.00 C ATOM 33 O GLY A 4 18.020 15.851 -11.823 1.00 0.00 O ATOM 0 H GLY A 4 20.981 14.269 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.693 15.505 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.284 16.819 -11.248 1.00 0.00 H new ATOM 37 N SER A 5 18.711 13.951 -10.834 1.00 0.00 N ATOM 38 CA SER A 5 17.406 13.305 -10.914 1.00 0.00 C ATOM 39 C SER A 5 16.384 14.036 -10.049 1.00 0.00 C ATOM 40 O SER A 5 16.660 14.380 -8.900 1.00 0.00 O ATOM 41 CB SER A 5 17.510 11.843 -10.477 1.00 0.00 C ATOM 42 OG SER A 5 17.957 11.742 -9.136 1.00 0.00 O ATOM 0 H SER A 5 19.437 13.383 -10.397 1.00 0.00 H new ATOM 0 HA SER A 5 17.071 13.344 -11.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.538 11.360 -10.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.199 11.312 -11.134 1.00 0.00 H new ATOM 0 HG SER A 5 18.013 10.798 -8.880 1.00 0.00 H new ATOM 48 N SER A 6 15.202 14.269 -10.610 1.00 0.00 N ATOM 49 CA SER A 6 14.138 14.962 -9.892 1.00 0.00 C ATOM 50 C SER A 6 13.029 13.992 -9.496 1.00 0.00 C ATOM 51 O SER A 6 12.541 13.219 -10.319 1.00 0.00 O ATOM 52 CB SER A 6 13.563 16.088 -10.753 1.00 0.00 C ATOM 53 OG SER A 6 13.079 15.589 -11.989 1.00 0.00 O ATOM 0 H SER A 6 14.957 13.988 -11.559 1.00 0.00 H new ATOM 0 HA SER A 6 14.564 15.390 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.755 16.584 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.332 16.839 -10.936 1.00 0.00 H new ATOM 0 HG SER A 6 12.781 14.663 -11.874 1.00 0.00 H new ATOM 59 N GLY A 7 12.636 14.039 -8.226 1.00 0.00 N ATOM 60 CA GLY A 7 11.588 13.160 -7.741 1.00 0.00 C ATOM 61 C GLY A 7 12.089 12.182 -6.696 1.00 0.00 C ATOM 62 O GLY A 7 13.266 11.824 -6.664 1.00 0.00 O ATOM 0 H GLY A 7 13.025 14.670 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.783 13.760 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.165 12.606 -8.579 1.00 0.00 H new ATOM 66 N PRO A 8 11.181 11.735 -5.816 1.00 0.00 N ATOM 67 CA PRO A 8 11.514 10.787 -4.748 1.00 0.00 C ATOM 68 C PRO A 8 11.824 9.394 -5.285 1.00 0.00 C ATOM 69 O PRO A 8 11.211 8.939 -6.251 1.00 0.00 O ATOM 70 CB PRO A 8 10.247 10.760 -3.890 1.00 0.00 C ATOM 71 CG PRO A 8 9.151 11.149 -4.821 1.00 0.00 C ATOM 72 CD PRO A 8 9.760 12.119 -5.795 1.00 0.00 C ATOM 0 HA PRO A 8 12.409 11.086 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.075 9.770 -3.468 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.321 11.454 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.750 10.277 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.323 11.607 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.306 12.035 -6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.627 13.151 -5.470 1.00 0.00 H new ATOM 80 N VAL A 9 12.780 8.720 -4.653 1.00 0.00 N ATOM 81 CA VAL A 9 13.170 7.378 -5.067 1.00 0.00 C ATOM 82 C VAL A 9 13.189 6.421 -3.880 1.00 0.00 C ATOM 83 O VAL A 9 12.755 5.274 -3.987 1.00 0.00 O ATOM 84 CB VAL A 9 14.558 7.377 -5.735 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.498 8.063 -7.091 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.583 8.049 -4.834 1.00 0.00 C ATOM 0 H VAL A 9 13.298 9.082 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 9 12.427 7.042 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 9 14.867 6.343 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.488 8.053 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.795 7.535 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.168 9.094 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.558 8.039 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.282 9.079 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.645 7.510 -3.888 1.00 0.00 H new ATOM 96 N ALA A 10 13.695 6.900 -2.749 1.00 0.00 N ATOM 97 CA ALA A 10 13.769 6.088 -1.540 1.00 0.00 C ATOM 98 C ALA A 10 12.493 5.276 -1.346 1.00 0.00 C ATOM 99 O ALA A 10 12.540 4.116 -0.940 1.00 0.00 O ATOM 100 CB ALA A 10 14.026 6.970 -0.327 1.00 0.00 C ATOM 0 H ALA A 10 14.060 7.847 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 10 14.599 5.390 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.079 6.351 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.969 7.502 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.215 7.690 -0.223 1.00 0.00 H new ATOM 106 N GLY A 11 11.353 5.895 -1.639 1.00 0.00 N ATOM 107 CA GLY A 11 10.080 5.214 -1.489 1.00 0.00 C ATOM 108 C GLY A 11 9.799 4.819 -0.053 1.00 0.00 C ATOM 109 O GLY A 11 10.712 4.560 0.732 1.00 0.00 O ATOM 0 H GLY A 11 11.288 6.855 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.280 5.862 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.072 4.322 -2.116 1.00 0.00 H new ATOM 113 N PRO A 12 8.509 4.770 0.311 1.00 0.00 N ATOM 114 CA PRO A 12 8.081 4.406 1.664 1.00 0.00 C ATOM 115 C PRO A 12 8.325 2.932 1.973 1.00 0.00 C ATOM 116 O PRO A 12 8.528 2.124 1.067 1.00 0.00 O ATOM 117 CB PRO A 12 6.581 4.709 1.656 1.00 0.00 C ATOM 118 CG PRO A 12 6.181 4.603 0.224 1.00 0.00 C ATOM 119 CD PRO A 12 7.369 5.066 -0.573 1.00 0.00 C ATOM 0 HA PRO A 12 8.636 4.952 2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.031 4.000 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.376 5.704 2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.915 3.577 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.307 5.220 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.448 4.535 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.307 6.129 -0.806 1.00 0.00 H new ATOM 127 N TYR A 13 8.303 2.590 3.256 1.00 0.00 N ATOM 128 CA TYR A 13 8.524 1.214 3.684 1.00 0.00 C ATOM 129 C TYR A 13 7.449 0.771 4.672 1.00 0.00 C ATOM 130 O TYR A 13 7.240 1.408 5.705 1.00 0.00 O ATOM 131 CB TYR A 13 9.907 1.071 4.320 1.00 0.00 C ATOM 132 CG TYR A 13 10.047 -0.152 5.198 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.949 -1.431 4.662 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.275 -0.030 6.563 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.075 -2.551 5.460 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.404 -1.145 7.368 1.00 0.00 C ATOM 137 CZ TYR A 13 10.303 -2.403 6.812 1.00 0.00 C ATOM 138 OH TYR A 13 10.429 -3.516 7.612 1.00 0.00 O ATOM 0 H TYR A 13 8.134 3.247 4.018 1.00 0.00 H new ATOM 0 HA TYR A 13 8.469 0.574 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.658 1.029 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.118 1.960 4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.771 -1.551 3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.353 0.954 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.995 -3.537 5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.583 -1.032 8.427 1.00 0.00 H new ATOM 0 HH TYR A 13 10.588 -3.237 8.538 1.00 0.00 H new ATOM 148 N ILE A 14 6.771 -0.324 4.347 1.00 0.00 N ATOM 149 CA ILE A 14 5.719 -0.854 5.206 1.00 0.00 C ATOM 150 C ILE A 14 6.303 -1.486 6.465 1.00 0.00 C ATOM 151 O ILE A 14 7.171 -2.357 6.390 1.00 0.00 O ATOM 152 CB ILE A 14 4.863 -1.901 4.469 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.306 -1.313 3.171 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.734 -2.388 5.364 1.00 0.00 C ATOM 155 CD1 ILE A 14 4.094 -2.343 2.083 1.00 0.00 C ATOM 0 H ILE A 14 6.931 -0.862 3.495 1.00 0.00 H new ATOM 0 HA ILE A 14 5.086 -0.011 5.485 1.00 0.00 H new ATOM 0 HB ILE A 14 5.494 -2.754 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.357 -0.820 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.990 -0.546 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.138 -3.127 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.152 -2.841 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.101 -1.545 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.698 -1.855 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.044 -2.820 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.387 -3.097 2.429 1.00 0.00 H new ATOM 167 N THR A 15 5.820 -1.044 7.622 1.00 0.00 N ATOM 168 CA THR A 15 6.294 -1.567 8.897 1.00 0.00 C ATOM 169 C THR A 15 5.137 -2.091 9.740 1.00 0.00 C ATOM 170 O THR A 15 5.324 -2.493 10.888 1.00 0.00 O ATOM 171 CB THR A 15 7.052 -0.491 9.698 1.00 0.00 C ATOM 172 OG1 THR A 15 6.133 0.265 10.494 1.00 0.00 O ATOM 173 CG2 THR A 15 7.812 0.441 8.768 1.00 0.00 C ATOM 0 H THR A 15 5.101 -0.325 7.702 1.00 0.00 H new ATOM 0 HA THR A 15 6.975 -2.387 8.669 1.00 0.00 H new ATOM 0 HB THR A 15 7.769 -0.992 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.623 0.946 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.339 1.192 9.357 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.532 -0.134 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.111 0.934 8.095 1.00 0.00 H new ATOM 181 N PHE A 16 3.940 -2.085 9.162 1.00 0.00 N ATOM 182 CA PHE A 16 2.751 -2.560 9.861 1.00 0.00 C ATOM 183 C PHE A 16 1.682 -3.012 8.871 1.00 0.00 C ATOM 184 O PHE A 16 1.276 -2.255 7.988 1.00 0.00 O ATOM 185 CB PHE A 16 2.192 -1.460 10.766 1.00 0.00 C ATOM 186 CG PHE A 16 1.397 -1.985 11.927 1.00 0.00 C ATOM 187 CD1 PHE A 16 2.019 -2.299 13.125 1.00 0.00 C ATOM 188 CD2 PHE A 16 0.027 -2.166 11.820 1.00 0.00 C ATOM 189 CE1 PHE A 16 1.290 -2.783 14.195 1.00 0.00 C ATOM 190 CE2 PHE A 16 -0.707 -2.648 12.887 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.074 -2.958 14.076 1.00 0.00 C ATOM 0 H PHE A 16 3.768 -1.757 8.212 1.00 0.00 H new ATOM 0 HA PHE A 16 3.038 -3.415 10.474 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.018 -0.857 11.144 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.560 -0.799 10.173 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.086 -2.164 13.224 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.472 -1.928 10.892 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.787 -3.024 15.123 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.774 -2.782 12.792 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.646 -3.336 14.910 1.00 0.00 H new ATOM 201 N THR A 17 1.230 -4.253 9.023 1.00 0.00 N ATOM 202 CA THR A 17 0.210 -4.807 8.142 1.00 0.00 C ATOM 203 C THR A 17 -0.780 -5.667 8.920 1.00 0.00 C ATOM 204 O THR A 17 -0.425 -6.726 9.437 1.00 0.00 O ATOM 205 CB THR A 17 0.837 -5.656 7.020 1.00 0.00 C ATOM 206 OG1 THR A 17 2.030 -6.290 7.494 1.00 0.00 O ATOM 207 CG2 THR A 17 1.161 -4.795 5.808 1.00 0.00 C ATOM 0 H THR A 17 1.554 -4.893 9.748 1.00 0.00 H new ATOM 0 HA THR A 17 -0.316 -3.962 7.698 1.00 0.00 H new ATOM 0 HB THR A 17 0.115 -6.417 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.074 -7.205 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.603 -5.416 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.246 -4.337 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.867 -4.015 6.094 1.00 0.00 H new ATOM 215 N ASP A 18 -2.023 -5.205 9.000 1.00 0.00 N ATOM 216 CA ASP A 18 -3.065 -5.933 9.714 1.00 0.00 C ATOM 217 C ASP A 18 -4.390 -5.864 8.960 1.00 0.00 C ATOM 218 O ASP A 18 -4.624 -4.942 8.179 1.00 0.00 O ATOM 219 CB ASP A 18 -3.238 -5.367 11.124 1.00 0.00 C ATOM 220 CG ASP A 18 -2.249 -5.958 12.110 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.424 -7.134 12.493 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.301 -5.245 12.498 1.00 0.00 O ATOM 0 H ASP A 18 -2.333 -4.329 8.579 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.761 -6.977 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.115 -4.284 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.253 -5.564 11.470 1.00 0.00 H new ATOM 227 N ALA A 19 -5.252 -6.848 9.198 1.00 0.00 N ATOM 228 CA ALA A 19 -6.553 -6.898 8.542 1.00 0.00 C ATOM 229 C ALA A 19 -7.637 -6.293 9.427 1.00 0.00 C ATOM 230 O ALA A 19 -8.010 -6.867 10.450 1.00 0.00 O ATOM 231 CB ALA A 19 -6.905 -8.333 8.179 1.00 0.00 C ATOM 0 H ALA A 19 -5.073 -7.620 9.840 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.495 -6.307 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.879 -8.356 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.150 -8.733 7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.939 -8.939 9.084 1.00 0.00 H new ATOM 237 N VAL A 20 -8.140 -5.129 9.026 1.00 0.00 N ATOM 238 CA VAL A 20 -9.183 -4.446 9.783 1.00 0.00 C ATOM 239 C VAL A 20 -10.495 -5.220 9.731 1.00 0.00 C ATOM 240 O VAL A 20 -11.310 -5.142 10.650 1.00 0.00 O ATOM 241 CB VAL A 20 -9.419 -3.020 9.251 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.372 -2.262 10.162 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.098 -2.278 9.112 1.00 0.00 C ATOM 0 H VAL A 20 -7.842 -4.640 8.182 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.839 -4.388 10.816 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.876 -3.090 8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.527 -1.257 9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.327 -2.786 10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.946 -2.200 11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.284 -1.272 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.611 -2.217 10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.452 -2.813 8.416 1.00 0.00 H new ATOM 253 N ASN A 21 -10.694 -5.967 8.650 1.00 0.00 N ATOM 254 CA ASN A 21 -11.909 -6.755 8.478 1.00 0.00 C ATOM 255 C ASN A 21 -11.703 -7.851 7.436 1.00 0.00 C ATOM 256 O ASN A 21 -10.611 -8.005 6.891 1.00 0.00 O ATOM 257 CB ASN A 21 -13.073 -5.853 8.064 1.00 0.00 C ATOM 258 CG ASN A 21 -13.814 -5.281 9.257 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.769 -5.837 10.355 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.500 -4.164 9.046 1.00 0.00 N ATOM 0 H ASN A 21 -10.029 -6.043 7.880 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.146 -7.226 9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.695 -5.036 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.768 -6.422 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.018 -3.732 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.509 -3.738 8.119 1.00 0.00 H new ATOM 267 N GLU A 22 -12.762 -8.608 7.164 1.00 0.00 N ATOM 268 CA GLU A 22 -12.697 -9.688 6.188 1.00 0.00 C ATOM 269 C GLU A 22 -12.425 -9.142 4.789 1.00 0.00 C ATOM 270 O GLU A 22 -11.806 -9.808 3.958 1.00 0.00 O ATOM 271 CB GLU A 22 -14.002 -10.487 6.190 1.00 0.00 C ATOM 272 CG GLU A 22 -15.237 -9.637 5.943 1.00 0.00 C ATOM 273 CD GLU A 22 -15.780 -9.014 7.215 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.845 -9.721 8.242 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.140 -7.819 7.182 1.00 0.00 O ATOM 0 H GLU A 22 -13.674 -8.493 7.606 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.875 -10.347 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.945 -11.261 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.106 -10.994 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.994 -8.848 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.011 -10.252 5.485 1.00 0.00 H new ATOM 282 N THR A 23 -12.893 -7.924 4.535 1.00 0.00 N ATOM 283 CA THR A 23 -12.703 -7.288 3.237 1.00 0.00 C ATOM 284 C THR A 23 -11.986 -5.950 3.381 1.00 0.00 C ATOM 285 O THR A 23 -12.059 -5.096 2.496 1.00 0.00 O ATOM 286 CB THR A 23 -14.047 -7.062 2.520 1.00 0.00 C ATOM 287 OG1 THR A 23 -14.910 -6.261 3.335 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.723 -8.389 2.208 1.00 0.00 C ATOM 0 H THR A 23 -13.406 -7.358 5.211 1.00 0.00 H new ATOM 0 HA THR A 23 -12.091 -7.964 2.640 1.00 0.00 H new ATOM 0 HB THR A 23 -13.850 -6.543 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.761 -6.121 2.871 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.670 -8.204 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.077 -8.984 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.907 -8.931 3.136 1.00 0.00 H new ATOM 296 N THR A 24 -11.292 -5.773 4.500 1.00 0.00 N ATOM 297 CA THR A 24 -10.562 -4.538 4.760 1.00 0.00 C ATOM 298 C THR A 24 -9.198 -4.826 5.378 1.00 0.00 C ATOM 299 O THR A 24 -9.042 -5.776 6.145 1.00 0.00 O ATOM 300 CB THR A 24 -11.351 -3.605 5.697 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.757 -3.801 5.513 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.998 -2.149 5.434 1.00 0.00 C ATOM 0 H THR A 24 -11.220 -6.470 5.242 1.00 0.00 H new ATOM 0 HA THR A 24 -10.425 -4.043 3.798 1.00 0.00 H new ATOM 0 HB THR A 24 -11.082 -3.847 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.252 -3.205 6.114 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.568 -1.509 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.932 -1.997 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.241 -1.896 4.402 1.00 0.00 H new ATOM 310 N ILE A 25 -8.214 -3.999 5.039 1.00 0.00 N ATOM 311 CA ILE A 25 -6.864 -4.164 5.563 1.00 0.00 C ATOM 312 C ILE A 25 -6.214 -2.814 5.842 1.00 0.00 C ATOM 313 O ILE A 25 -6.301 -1.892 5.031 1.00 0.00 O ATOM 314 CB ILE A 25 -5.975 -4.958 4.588 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.355 -6.440 4.608 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.507 -4.777 4.942 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.583 -7.275 3.610 1.00 0.00 C ATOM 0 H ILE A 25 -8.327 -3.209 4.404 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.953 -4.721 6.496 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.135 -4.575 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.186 -6.837 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.421 -6.536 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.892 -5.344 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.245 -3.721 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.330 -5.136 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.904 -8.314 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.771 -6.904 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.517 -7.209 3.828 1.00 0.00 H new ATOM 329 N MET A 26 -5.559 -2.705 6.993 1.00 0.00 N ATOM 330 CA MET A 26 -4.891 -1.467 7.378 1.00 0.00 C ATOM 331 C MET A 26 -3.375 -1.643 7.372 1.00 0.00 C ATOM 332 O MET A 26 -2.836 -2.493 8.081 1.00 0.00 O ATOM 333 CB MET A 26 -5.358 -1.019 8.764 1.00 0.00 C ATOM 334 CG MET A 26 -4.329 -0.187 9.513 1.00 0.00 C ATOM 335 SD MET A 26 -5.064 0.812 10.822 1.00 0.00 S ATOM 336 CE MET A 26 -4.778 2.463 10.189 1.00 0.00 C ATOM 0 H MET A 26 -5.476 -3.459 7.675 1.00 0.00 H new ATOM 0 HA MET A 26 -5.154 -0.700 6.649 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.275 -0.439 8.660 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.603 -1.899 9.358 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.577 -0.848 9.944 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.813 0.466 8.809 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.121 3.005 10.870 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.310 2.400 9.207 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.728 2.990 10.105 1.00 0.00 H new ATOM 346 N LEU A 27 -2.694 -0.835 6.566 1.00 0.00 N ATOM 347 CA LEU A 27 -1.240 -0.902 6.468 1.00 0.00 C ATOM 348 C LEU A 27 -0.616 0.473 6.683 1.00 0.00 C ATOM 349 O LEU A 27 -1.113 1.479 6.175 1.00 0.00 O ATOM 350 CB LEU A 27 -0.827 -1.454 5.102 1.00 0.00 C ATOM 351 CG LEU A 27 -0.740 -0.436 3.965 1.00 0.00 C ATOM 352 CD1 LEU A 27 0.193 -0.934 2.872 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.124 -0.151 3.398 1.00 0.00 C ATOM 0 H LEU A 27 -3.125 -0.127 5.972 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.878 -1.571 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.145 -1.936 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.538 -2.229 4.815 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.334 0.493 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.242 -0.196 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.190 -1.087 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.183 -1.877 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.043 0.576 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.557 -1.075 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.764 0.250 4.184 1.00 0.00 H new ATOM 365 N LYS A 28 0.477 0.509 7.437 1.00 0.00 N ATOM 366 CA LYS A 28 1.173 1.760 7.717 1.00 0.00 C ATOM 367 C LYS A 28 2.578 1.746 7.123 1.00 0.00 C ATOM 368 O LYS A 28 3.268 0.727 7.164 1.00 0.00 O ATOM 369 CB LYS A 28 1.248 1.998 9.227 1.00 0.00 C ATOM 370 CG LYS A 28 -0.105 1.971 9.916 1.00 0.00 C ATOM 371 CD LYS A 28 0.017 1.550 11.371 1.00 0.00 C ATOM 372 CE LYS A 28 -1.337 1.540 12.064 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.202 1.603 13.545 1.00 0.00 N ATOM 0 H LYS A 28 0.901 -0.314 7.866 1.00 0.00 H new ATOM 0 HA LYS A 28 0.611 2.571 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.889 1.238 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.721 2.963 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.563 2.959 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.767 1.282 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.463 0.557 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.689 2.231 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.929 2.387 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.880 0.637 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.146 1.594 13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.659 0.782 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.706 2.478 13.812 1.00 0.00 H new ATOM 387 N TRP A 29 2.994 2.881 6.575 1.00 0.00 N ATOM 388 CA TRP A 29 4.318 2.999 5.974 1.00 0.00 C ATOM 389 C TRP A 29 5.117 4.119 6.632 1.00 0.00 C ATOM 390 O TRP A 29 4.549 5.104 7.102 1.00 0.00 O ATOM 391 CB TRP A 29 4.197 3.257 4.471 1.00 0.00 C ATOM 392 CG TRP A 29 3.364 4.457 4.140 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.760 5.764 4.167 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.991 4.462 3.732 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.717 6.580 3.802 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.621 5.805 3.529 1.00 0.00 C ATOM 397 CE3 TRP A 29 1.040 3.461 3.517 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.340 6.171 3.123 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.231 3.826 3.114 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.571 5.171 2.920 1.00 0.00 C ATOM 0 H TRP A 29 2.435 3.733 6.534 1.00 0.00 H new ATOM 0 HA TRP A 29 4.847 2.059 6.133 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.194 3.389 4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.763 2.379 3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.749 6.106 4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.753 7.598 3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.293 2.421 3.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.075 7.207 2.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.975 3.061 2.946 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.572 5.423 2.604 1.00 0.00 H new ATOM 411 N MET A 30 6.436 3.961 6.661 1.00 0.00 N ATOM 412 CA MET A 30 7.312 4.961 7.261 1.00 0.00 C ATOM 413 C MET A 30 8.015 5.783 6.186 1.00 0.00 C ATOM 414 O MET A 30 8.027 5.408 5.013 1.00 0.00 O ATOM 415 CB MET A 30 8.348 4.287 8.163 1.00 0.00 C ATOM 416 CG MET A 30 9.499 3.654 7.399 1.00 0.00 C ATOM 417 SD MET A 30 10.809 3.058 8.485 1.00 0.00 S ATOM 418 CE MET A 30 11.438 4.603 9.137 1.00 0.00 C ATOM 0 H MET A 30 6.922 3.151 6.276 1.00 0.00 H new ATOM 0 HA MET A 30 6.698 5.631 7.863 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.747 5.025 8.859 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.854 3.521 8.760 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.121 2.824 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.913 4.384 6.703 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.516 4.525 9.281 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.223 5.409 8.435 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.959 4.817 10.093 1.00 0.00 H new ATOM 428 N TYR A 31 8.599 6.904 6.592 1.00 0.00 N ATOM 429 CA TYR A 31 9.302 7.780 5.662 1.00 0.00 C ATOM 430 C TYR A 31 10.713 8.080 6.158 1.00 0.00 C ATOM 431 O TYR A 31 10.917 8.398 7.330 1.00 0.00 O ATOM 432 CB TYR A 31 8.527 9.086 5.474 1.00 0.00 C ATOM 433 CG TYR A 31 9.140 10.011 4.447 1.00 0.00 C ATOM 434 CD1 TYR A 31 8.931 9.807 3.088 1.00 0.00 C ATOM 435 CD2 TYR A 31 9.928 11.087 4.834 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.489 10.649 2.146 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.488 11.935 3.899 1.00 0.00 C ATOM 438 CZ TYR A 31 10.266 11.712 2.556 1.00 0.00 C ATOM 439 OH TYR A 31 10.824 12.553 1.621 1.00 0.00 O ATOM 0 H TYR A 31 8.600 7.228 7.559 1.00 0.00 H new ATOM 0 HA TYR A 31 9.375 7.267 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.505 8.853 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.470 9.606 6.430 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.322 8.976 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.106 11.264 5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.318 10.476 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.097 12.768 4.218 1.00 0.00 H new ATOM 0 HH TYR A 31 11.393 13.212 2.072 1.00 0.00 H new ATOM 449 N ILE A 32 11.684 7.978 5.256 1.00 0.00 N ATOM 450 CA ILE A 32 13.076 8.240 5.600 1.00 0.00 C ATOM 451 C ILE A 32 13.618 9.437 4.825 1.00 0.00 C ATOM 452 O ILE A 32 14.063 9.318 3.683 1.00 0.00 O ATOM 453 CB ILE A 32 13.966 7.015 5.318 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.361 5.761 5.953 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.375 7.252 5.840 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.411 5.019 5.039 1.00 0.00 C ATOM 0 H ILE A 32 11.532 7.716 4.282 1.00 0.00 H new ATOM 0 HA ILE A 32 13.101 8.459 6.667 1.00 0.00 H new ATOM 0 HB ILE A 32 14.020 6.864 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.166 5.089 6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.831 6.044 6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.992 6.377 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.804 8.124 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.340 7.425 6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.021 4.142 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.585 5.675 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.942 4.705 4.140 1.00 0.00 H new ATOM 468 N PRO A 33 13.581 10.618 5.459 1.00 0.00 N ATOM 469 CA PRO A 33 14.067 11.859 4.849 1.00 0.00 C ATOM 470 C PRO A 33 15.584 11.876 4.699 1.00 0.00 C ATOM 471 O PRO A 33 16.144 12.769 4.064 1.00 0.00 O ATOM 472 CB PRO A 33 13.615 12.939 5.836 1.00 0.00 C ATOM 473 CG PRO A 33 13.501 12.234 7.143 1.00 0.00 C ATOM 474 CD PRO A 33 13.063 10.832 6.821 1.00 0.00 C ATOM 0 HA PRO A 33 13.680 11.996 3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.336 13.755 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.662 13.375 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.455 12.233 7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.778 12.729 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.475 10.110 7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.978 10.731 6.859 1.00 0.00 H new ATOM 482 N ALA A 34 16.244 10.884 5.287 1.00 0.00 N ATOM 483 CA ALA A 34 17.696 10.784 5.215 1.00 0.00 C ATOM 484 C ALA A 34 18.168 10.677 3.769 1.00 0.00 C ATOM 485 O ALA A 34 18.815 11.586 3.249 1.00 0.00 O ATOM 486 CB ALA A 34 18.183 9.588 6.021 1.00 0.00 C ATOM 0 H ALA A 34 15.796 10.138 5.819 1.00 0.00 H new ATOM 0 HA ALA A 34 18.120 11.693 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.269 9.525 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.886 9.706 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.743 8.675 5.619 1.00 0.00 H new ATOM 492 N SER A 35 17.843 9.561 3.126 1.00 0.00 N ATOM 493 CA SER A 35 18.238 9.334 1.741 1.00 0.00 C ATOM 494 C SER A 35 17.178 9.864 0.779 1.00 0.00 C ATOM 495 O SER A 35 16.860 9.227 -0.223 1.00 0.00 O ATOM 496 CB SER A 35 18.468 7.842 1.492 1.00 0.00 C ATOM 497 OG SER A 35 19.813 7.483 1.753 1.00 0.00 O ATOM 0 H SER A 35 17.307 8.799 3.542 1.00 0.00 H new ATOM 0 HA SER A 35 19.168 9.873 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.802 7.257 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.217 7.600 0.459 1.00 0.00 H new ATOM 0 HG SER A 35 19.934 6.525 1.588 1.00 0.00 H new ATOM 503 N ASN A 36 16.636 11.036 1.094 1.00 0.00 N ATOM 504 CA ASN A 36 15.612 11.653 0.259 1.00 0.00 C ATOM 505 C ASN A 36 16.140 12.923 -0.400 1.00 0.00 C ATOM 506 O ASN A 36 17.140 13.492 0.036 1.00 0.00 O ATOM 507 CB ASN A 36 14.371 11.977 1.094 1.00 0.00 C ATOM 508 CG ASN A 36 13.290 12.662 0.281 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.002 13.842 0.480 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.685 11.922 -0.641 1.00 0.00 N ATOM 0 H ASN A 36 16.889 11.577 1.921 1.00 0.00 H new ATOM 0 HA ASN A 36 15.341 10.944 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.973 11.056 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.655 12.618 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.949 12.328 -1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.956 10.947 -0.771 1.00 0.00 H new ATOM 517 N ASN A 37 15.461 13.362 -1.455 1.00 0.00 N ATOM 518 CA ASN A 37 15.862 14.565 -2.176 1.00 0.00 C ATOM 519 C ASN A 37 15.175 15.799 -1.598 1.00 0.00 C ATOM 520 O ASN A 37 14.909 16.765 -2.312 1.00 0.00 O ATOM 521 CB ASN A 37 15.526 14.430 -3.662 1.00 0.00 C ATOM 522 CG ASN A 37 16.649 13.786 -4.452 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.722 13.511 -3.916 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.406 13.543 -5.735 1.00 0.00 N ATOM 0 H ASN A 37 14.631 12.903 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 37 16.940 14.684 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.619 13.836 -3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.314 15.416 -4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.124 13.112 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.501 13.788 -6.138 1.00 0.00 H new ATOM 531 N ASN A 38 14.893 15.759 -0.300 1.00 0.00 N ATOM 532 CA ASN A 38 14.237 16.874 0.374 1.00 0.00 C ATOM 533 C ASN A 38 13.158 17.487 -0.512 1.00 0.00 C ATOM 534 O ASN A 38 12.983 18.706 -0.545 1.00 0.00 O ATOM 535 CB ASN A 38 15.265 17.941 0.757 1.00 0.00 C ATOM 536 CG ASN A 38 16.387 17.383 1.611 1.00 0.00 C ATOM 537 OD1 ASN A 38 16.257 17.270 2.830 1.00 0.00 O ATOM 538 ND2 ASN A 38 17.497 17.031 0.973 1.00 0.00 N ATOM 0 H ASN A 38 15.108 14.967 0.306 1.00 0.00 H new ATOM 0 HA ASN A 38 13.765 16.492 1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.685 18.379 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.766 18.745 1.298 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.286 16.649 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.561 17.142 -0.039 1.00 0.00 H new ATOM 545 N THR A 39 12.434 16.634 -1.230 1.00 0.00 N ATOM 546 CA THR A 39 11.372 17.090 -2.117 1.00 0.00 C ATOM 547 C THR A 39 9.998 16.778 -1.536 1.00 0.00 C ATOM 548 O THR A 39 9.773 15.722 -0.945 1.00 0.00 O ATOM 549 CB THR A 39 11.486 16.443 -3.511 1.00 0.00 C ATOM 550 OG1 THR A 39 10.839 17.265 -4.488 1.00 0.00 O ATOM 551 CG2 THR A 39 10.863 15.055 -3.515 1.00 0.00 C ATOM 0 H THR A 39 12.564 15.622 -1.214 1.00 0.00 H new ATOM 0 HA THR A 39 11.486 18.170 -2.215 1.00 0.00 H new ATOM 0 HB THR A 39 12.543 16.351 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.918 16.847 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.955 14.618 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.378 14.423 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.809 15.129 -3.247 1.00 0.00 H new ATOM 559 N PRO A 40 9.055 17.716 -1.707 1.00 0.00 N ATOM 560 CA PRO A 40 7.685 17.563 -1.207 1.00 0.00 C ATOM 561 C PRO A 40 6.904 16.500 -1.972 1.00 0.00 C ATOM 562 O PRO A 40 6.992 16.414 -3.197 1.00 0.00 O ATOM 563 CB PRO A 40 7.068 18.945 -1.432 1.00 0.00 C ATOM 564 CG PRO A 40 7.855 19.533 -2.553 1.00 0.00 C ATOM 565 CD PRO A 40 9.253 19.000 -2.402 1.00 0.00 C ATOM 0 HA PRO A 40 7.665 17.237 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.011 18.870 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.137 19.560 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.432 19.251 -3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.846 20.622 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.738 18.863 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.881 19.677 -1.824 1.00 0.00 H new ATOM 573 N ILE A 41 6.141 15.693 -1.242 1.00 0.00 N ATOM 574 CA ILE A 41 5.344 14.637 -1.854 1.00 0.00 C ATOM 575 C ILE A 41 3.896 15.078 -2.038 1.00 0.00 C ATOM 576 O ILE A 41 3.346 15.803 -1.209 1.00 0.00 O ATOM 577 CB ILE A 41 5.373 13.349 -1.009 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.780 13.105 -0.460 1.00 0.00 C ATOM 579 CG2 ILE A 41 4.908 12.162 -1.838 1.00 0.00 C ATOM 580 CD1 ILE A 41 6.929 11.779 0.254 1.00 0.00 C ATOM 0 H ILE A 41 6.058 15.750 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 41 5.786 14.433 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 41 4.691 13.468 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.494 13.148 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.037 13.910 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.934 11.259 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.889 12.337 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.567 12.038 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.952 11.674 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.239 11.740 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.704 10.966 -0.437 1.00 0.00 H new ATOM 592 N HIS A 42 3.283 14.634 -3.131 1.00 0.00 N ATOM 593 CA HIS A 42 1.897 14.981 -3.424 1.00 0.00 C ATOM 594 C HIS A 42 0.937 14.061 -2.676 1.00 0.00 C ATOM 595 O HIS A 42 -0.086 14.505 -2.156 1.00 0.00 O ATOM 596 CB HIS A 42 1.635 14.897 -4.928 1.00 0.00 C ATOM 597 CG HIS A 42 1.922 16.172 -5.658 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.481 16.421 -6.941 1.00 0.00 N ATOM 599 CD2 HIS A 42 2.609 17.275 -5.278 1.00 0.00 C ATOM 600 CE1 HIS A 42 1.886 17.620 -7.319 1.00 0.00 C ATOM 601 NE2 HIS A 42 2.572 18.160 -6.328 1.00 0.00 N ATOM 0 H HIS A 42 3.724 14.034 -3.828 1.00 0.00 H new ATOM 0 HA HIS A 42 1.726 16.004 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.247 14.100 -5.351 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.593 14.621 -5.092 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.096 17.430 -4.326 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.690 18.081 -8.276 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.004 19.084 -6.340 1.00 0.00 H new ATOM 610 N GLY A 43 1.274 12.776 -2.626 1.00 0.00 N ATOM 611 CA GLY A 43 0.431 11.814 -1.940 1.00 0.00 C ATOM 612 C GLY A 43 1.112 10.471 -1.761 1.00 0.00 C ATOM 613 O GLY A 43 2.337 10.396 -1.664 1.00 0.00 O ATOM 0 H GLY A 43 2.116 12.384 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.153 12.210 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.492 11.678 -2.503 1.00 0.00 H new ATOM 617 N PHE A 44 0.316 9.408 -1.714 1.00 0.00 N ATOM 618 CA PHE A 44 0.848 8.061 -1.542 1.00 0.00 C ATOM 619 C PHE A 44 0.016 7.044 -2.317 1.00 0.00 C ATOM 620 O PHE A 44 -1.195 6.939 -2.122 1.00 0.00 O ATOM 621 CB PHE A 44 0.879 7.687 -0.059 1.00 0.00 C ATOM 622 CG PHE A 44 2.047 8.272 0.683 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.345 7.971 0.304 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.847 9.122 1.758 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.422 8.506 0.986 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.920 9.662 2.443 1.00 0.00 C ATOM 627 CZ PHE A 44 4.209 9.354 2.055 1.00 0.00 C ATOM 0 H PHE A 44 -0.700 9.453 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 44 1.865 8.047 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.045 8.023 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.907 6.601 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.517 7.311 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.841 9.366 2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.429 8.261 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.750 10.323 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.049 9.776 2.587 1.00 0.00 H new ATOM 637 N TYR A 45 0.674 6.299 -3.198 1.00 0.00 N ATOM 638 CA TYR A 45 -0.004 5.292 -4.005 1.00 0.00 C ATOM 639 C TYR A 45 0.097 3.914 -3.357 1.00 0.00 C ATOM 640 O TYR A 45 1.087 3.599 -2.696 1.00 0.00 O ATOM 641 CB TYR A 45 0.592 5.250 -5.413 1.00 0.00 C ATOM 642 CG TYR A 45 -0.082 6.192 -6.385 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.467 6.245 -6.485 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.665 7.031 -7.202 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.087 7.103 -7.371 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.054 7.894 -8.090 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.323 7.926 -8.172 1.00 0.00 C ATOM 648 OH TYR A 45 -1.937 8.784 -9.055 1.00 0.00 O ATOM 0 H TYR A 45 1.676 6.374 -3.371 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.057 5.566 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.652 5.497 -5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.521 4.233 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.069 5.604 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.743 7.008 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.165 7.130 -7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.651 8.540 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.257 9.294 -9.542 1.00 0.00 H new ATOM 658 N ILE A 46 -0.933 3.099 -3.553 1.00 0.00 N ATOM 659 CA ILE A 46 -0.961 1.755 -2.989 1.00 0.00 C ATOM 660 C ILE A 46 -1.513 0.749 -3.993 1.00 0.00 C ATOM 661 O ILE A 46 -2.598 0.937 -4.543 1.00 0.00 O ATOM 662 CB ILE A 46 -1.809 1.699 -1.705 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.300 2.723 -0.688 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.783 0.298 -1.113 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.383 3.260 0.222 1.00 0.00 C ATOM 0 H ILE A 46 -1.759 3.345 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 46 0.069 1.495 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.840 1.946 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.521 2.263 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.839 3.555 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.387 0.275 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.187 -0.410 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.756 0.024 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.951 3.980 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.152 3.749 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.828 2.438 0.782 1.00 0.00 H new ATOM 677 N TYR A 47 -0.760 -0.321 -4.226 1.00 0.00 N ATOM 678 CA TYR A 47 -1.174 -1.357 -5.165 1.00 0.00 C ATOM 679 C TYR A 47 -1.574 -2.632 -4.427 1.00 0.00 C ATOM 680 O TYR A 47 -1.029 -2.947 -3.369 1.00 0.00 O ATOM 681 CB TYR A 47 -0.047 -1.659 -6.153 1.00 0.00 C ATOM 682 CG TYR A 47 0.362 -0.466 -6.988 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.831 0.697 -6.390 1.00 0.00 C ATOM 684 CD2 TYR A 47 0.281 -0.503 -8.374 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.205 1.790 -7.148 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.655 0.584 -9.141 1.00 0.00 C ATOM 687 CZ TYR A 47 1.115 1.728 -8.523 1.00 0.00 C ATOM 688 OH TYR A 47 1.488 2.814 -9.282 1.00 0.00 O ATOM 0 H TYR A 47 0.140 -0.493 -3.778 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.041 -0.989 -5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.821 -2.021 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.362 -2.465 -6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.905 0.748 -5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.081 -1.397 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.566 2.687 -6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.587 0.538 -10.218 1.00 0.00 H new ATOM 0 HH TYR A 47 1.365 2.607 -10.232 1.00 0.00 H new ATOM 698 N TYR A 48 -2.528 -3.360 -4.995 1.00 0.00 N ATOM 699 CA TYR A 48 -3.003 -4.600 -4.392 1.00 0.00 C ATOM 700 C TYR A 48 -3.685 -5.485 -5.431 1.00 0.00 C ATOM 701 O TYR A 48 -4.217 -4.995 -6.427 1.00 0.00 O ATOM 702 CB TYR A 48 -3.974 -4.297 -3.249 1.00 0.00 C ATOM 703 CG TYR A 48 -5.146 -3.435 -3.662 1.00 0.00 C ATOM 704 CD1 TYR A 48 -6.312 -4.005 -4.157 1.00 0.00 C ATOM 705 CD2 TYR A 48 -5.086 -2.051 -3.559 1.00 0.00 C ATOM 706 CE1 TYR A 48 -7.385 -3.222 -4.536 1.00 0.00 C ATOM 707 CE2 TYR A 48 -6.154 -1.260 -3.935 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.301 -1.850 -4.423 1.00 0.00 C ATOM 709 OH TYR A 48 -8.367 -1.065 -4.799 1.00 0.00 O ATOM 0 H TYR A 48 -2.988 -3.114 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.140 -5.135 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.350 -5.237 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.432 -3.798 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.381 -5.079 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.189 -1.586 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.284 -3.681 -4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.091 -0.185 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.145 -0.121 -4.655 1.00 0.00 H new ATOM 719 N ARG A 49 -3.664 -6.792 -5.191 1.00 0.00 N ATOM 720 CA ARG A 49 -4.279 -7.747 -6.105 1.00 0.00 C ATOM 721 C ARG A 49 -4.255 -9.155 -5.518 1.00 0.00 C ATOM 722 O ARG A 49 -3.301 -9.561 -4.854 1.00 0.00 O ATOM 723 CB ARG A 49 -3.556 -7.733 -7.453 1.00 0.00 C ATOM 724 CG ARG A 49 -2.150 -8.308 -7.396 1.00 0.00 C ATOM 725 CD ARG A 49 -2.149 -9.804 -7.669 1.00 0.00 C ATOM 726 NE ARG A 49 -1.047 -10.483 -6.992 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.743 -11.762 -7.184 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.455 -12.496 -8.027 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.275 -12.308 -6.531 1.00 0.00 N ATOM 0 H ARG A 49 -3.228 -7.214 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.318 -7.452 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.142 -8.300 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.505 -6.707 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.519 -7.803 -8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.716 -8.116 -6.415 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.096 -10.233 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.076 -9.977 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.480 -9.946 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.238 -12.079 -8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.220 -13.478 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.825 -11.746 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.508 -13.290 -6.679 1.00 0.00 H new ATOM 743 N PRO A 50 -5.330 -9.918 -5.766 1.00 0.00 N ATOM 744 CA PRO A 50 -5.456 -11.292 -5.271 1.00 0.00 C ATOM 745 C PRO A 50 -4.494 -12.250 -5.965 1.00 0.00 C ATOM 746 O PRO A 50 -4.204 -12.103 -7.153 1.00 0.00 O ATOM 747 CB PRO A 50 -6.906 -11.657 -5.603 1.00 0.00 C ATOM 748 CG PRO A 50 -7.262 -10.781 -6.755 1.00 0.00 C ATOM 749 CD PRO A 50 -6.504 -9.499 -6.551 1.00 0.00 C ATOM 0 HA PRO A 50 -5.215 -11.366 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.999 -12.711 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.564 -11.479 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.989 -11.250 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.336 -10.598 -6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.213 -9.049 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.101 -8.760 -6.017 1.00 0.00 H new ATOM 757 N THR A 51 -4.000 -13.231 -5.217 1.00 0.00 N ATOM 758 CA THR A 51 -3.069 -14.212 -5.760 1.00 0.00 C ATOM 759 C THR A 51 -3.651 -14.900 -6.989 1.00 0.00 C ATOM 760 O THR A 51 -2.920 -15.478 -7.794 1.00 0.00 O ATOM 761 CB THR A 51 -2.705 -15.281 -4.712 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.399 -15.804 -4.979 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.721 -16.413 -4.718 1.00 0.00 C ATOM 0 H THR A 51 -4.229 -13.367 -4.233 1.00 0.00 H new ATOM 0 HA THR A 51 -2.167 -13.669 -6.043 1.00 0.00 H new ATOM 0 HB THR A 51 -2.714 -14.811 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.174 -16.482 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.443 -17.155 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.709 -16.016 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.740 -16.880 -5.703 1.00 0.00 H new ATOM 771 N ASP A 52 -4.970 -14.834 -7.130 1.00 0.00 N ATOM 772 CA ASP A 52 -5.651 -15.449 -8.263 1.00 0.00 C ATOM 773 C ASP A 52 -5.445 -14.628 -9.532 1.00 0.00 C ATOM 774 O ASP A 52 -5.470 -15.162 -10.641 1.00 0.00 O ATOM 775 CB ASP A 52 -7.145 -15.594 -7.972 1.00 0.00 C ATOM 776 CG ASP A 52 -7.482 -16.919 -7.317 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.021 -17.152 -6.180 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.205 -17.723 -7.941 1.00 0.00 O ATOM 0 H ASP A 52 -5.590 -14.360 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.222 -16.439 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.466 -14.779 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.704 -15.500 -8.903 1.00 0.00 H new ATOM 783 N SER A 53 -5.241 -13.325 -9.361 1.00 0.00 N ATOM 784 CA SER A 53 -5.036 -12.429 -10.493 1.00 0.00 C ATOM 785 C SER A 53 -4.121 -13.068 -11.533 1.00 0.00 C ATOM 786 O SER A 53 -3.279 -13.904 -11.206 1.00 0.00 O ATOM 787 CB SER A 53 -4.439 -11.103 -10.018 1.00 0.00 C ATOM 788 OG SER A 53 -5.457 -10.180 -9.669 1.00 0.00 O ATOM 0 H SER A 53 -5.213 -12.867 -8.450 1.00 0.00 H new ATOM 0 HA SER A 53 -6.005 -12.239 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.793 -11.279 -9.158 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.814 -10.680 -10.804 1.00 0.00 H new ATOM 0 HG SER A 53 -6.325 -10.634 -9.671 1.00 0.00 H new ATOM 794 N ASP A 54 -4.294 -12.668 -12.788 1.00 0.00 N ATOM 795 CA ASP A 54 -3.484 -13.200 -13.878 1.00 0.00 C ATOM 796 C ASP A 54 -2.063 -12.650 -13.818 1.00 0.00 C ATOM 797 O ASP A 54 -1.098 -13.407 -13.721 1.00 0.00 O ATOM 798 CB ASP A 54 -4.119 -12.859 -15.227 1.00 0.00 C ATOM 799 CG ASP A 54 -3.804 -13.890 -16.293 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.964 -15.098 -16.016 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.399 -13.490 -17.404 1.00 0.00 O ATOM 0 H ASP A 54 -4.987 -11.978 -13.076 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.440 -14.284 -13.769 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.200 -12.783 -15.108 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.765 -11.882 -15.555 1.00 0.00 H new ATOM 806 N ASN A 55 -1.942 -11.328 -13.876 1.00 0.00 N ATOM 807 CA ASN A 55 -0.638 -10.676 -13.829 1.00 0.00 C ATOM 808 C ASN A 55 -0.751 -9.273 -13.241 1.00 0.00 C ATOM 809 O ASN A 55 -1.834 -8.842 -12.843 1.00 0.00 O ATOM 810 CB ASN A 55 -0.029 -10.606 -15.232 1.00 0.00 C ATOM 811 CG ASN A 55 -1.070 -10.329 -16.300 1.00 0.00 C ATOM 812 OD1 ASN A 55 -1.423 -9.177 -16.554 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.565 -11.386 -16.932 1.00 0.00 N ATOM 0 H ASN A 55 -2.731 -10.687 -13.956 1.00 0.00 H new ATOM 0 HA ASN A 55 0.013 -11.268 -13.186 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.730 -9.825 -15.257 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.474 -11.547 -15.454 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.267 -11.262 -17.661 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.243 -12.323 -16.689 1.00 0.00 H new ATOM 820 N ASP A 56 0.372 -8.567 -13.190 1.00 0.00 N ATOM 821 CA ASP A 56 0.400 -7.212 -12.652 1.00 0.00 C ATOM 822 C ASP A 56 -0.738 -6.375 -13.230 1.00 0.00 C ATOM 823 O ASP A 56 -1.219 -5.439 -12.591 1.00 0.00 O ATOM 824 CB ASP A 56 1.743 -6.547 -12.955 1.00 0.00 C ATOM 825 CG ASP A 56 1.843 -6.069 -14.390 1.00 0.00 C ATOM 826 OD1 ASP A 56 1.397 -4.937 -14.671 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.365 -6.828 -15.234 1.00 0.00 O ATOM 0 H ASP A 56 1.276 -8.910 -13.515 1.00 0.00 H new ATOM 0 HA ASP A 56 0.270 -7.274 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.886 -5.701 -12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.548 -7.253 -12.754 1.00 0.00 H new ATOM 832 N SER A 57 -1.162 -6.718 -14.442 1.00 0.00 N ATOM 833 CA SER A 57 -2.239 -5.995 -15.108 1.00 0.00 C ATOM 834 C SER A 57 -3.431 -5.815 -14.173 1.00 0.00 C ATOM 835 O SER A 57 -4.283 -4.954 -14.395 1.00 0.00 O ATOM 836 CB SER A 57 -2.675 -6.739 -16.372 1.00 0.00 C ATOM 837 OG SER A 57 -3.561 -5.950 -17.148 1.00 0.00 O ATOM 0 H SER A 57 -0.776 -7.492 -14.983 1.00 0.00 H new ATOM 0 HA SER A 57 -1.865 -5.009 -15.386 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.799 -6.998 -16.966 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.162 -7.675 -16.097 1.00 0.00 H new ATOM 0 HG SER A 57 -3.824 -6.447 -17.951 1.00 0.00 H new ATOM 843 N ASP A 58 -3.484 -6.633 -13.128 1.00 0.00 N ATOM 844 CA ASP A 58 -4.571 -6.565 -12.158 1.00 0.00 C ATOM 845 C ASP A 58 -4.256 -5.553 -11.060 1.00 0.00 C ATOM 846 O ASP A 58 -5.138 -4.828 -10.599 1.00 0.00 O ATOM 847 CB ASP A 58 -4.821 -7.942 -11.542 1.00 0.00 C ATOM 848 CG ASP A 58 -5.663 -8.832 -12.436 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.906 -8.733 -12.371 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.078 -9.626 -13.202 1.00 0.00 O ATOM 0 H ASP A 58 -2.787 -7.351 -12.931 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.471 -6.241 -12.680 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.865 -8.428 -11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.320 -7.822 -10.580 1.00 0.00 H new ATOM 855 N TYR A 59 -2.995 -5.511 -10.645 1.00 0.00 N ATOM 856 CA TYR A 59 -2.565 -4.591 -9.599 1.00 0.00 C ATOM 857 C TYR A 59 -3.251 -3.237 -9.749 1.00 0.00 C ATOM 858 O TYR A 59 -3.157 -2.592 -10.793 1.00 0.00 O ATOM 859 CB TYR A 59 -1.046 -4.414 -9.640 1.00 0.00 C ATOM 860 CG TYR A 59 -0.297 -5.407 -8.781 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.687 -5.655 -7.470 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.800 -6.098 -9.279 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.005 -6.561 -6.681 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.487 -7.007 -8.498 1.00 0.00 C ATOM 865 CZ TYR A 59 1.080 -7.235 -7.200 1.00 0.00 C ATOM 866 OH TYR A 59 1.763 -8.139 -6.418 1.00 0.00 O ATOM 0 H TYR A 59 -2.253 -6.103 -11.017 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.849 -5.016 -8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.705 -4.509 -10.671 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.797 -3.404 -9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.538 -5.130 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.122 -5.922 -10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.320 -6.740 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.338 -7.536 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 59 2.500 -8.527 -6.934 1.00 0.00 H new ATOM 876 N LYS A 60 -3.941 -2.811 -8.696 1.00 0.00 N ATOM 877 CA LYS A 60 -4.642 -1.532 -8.707 1.00 0.00 C ATOM 878 C LYS A 60 -3.751 -0.419 -8.166 1.00 0.00 C ATOM 879 O LYS A 60 -2.577 -0.637 -7.870 1.00 0.00 O ATOM 880 CB LYS A 60 -5.924 -1.623 -7.876 1.00 0.00 C ATOM 881 CG LYS A 60 -7.110 -2.179 -8.646 1.00 0.00 C ATOM 882 CD LYS A 60 -8.330 -2.335 -7.754 1.00 0.00 C ATOM 883 CE LYS A 60 -9.219 -3.478 -8.221 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.487 -3.548 -7.443 1.00 0.00 N ATOM 0 H LYS A 60 -4.030 -3.333 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.901 -1.297 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.739 -2.253 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.177 -0.630 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.348 -1.516 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.846 -3.146 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.011 -2.517 -6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.901 -1.406 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.449 -3.351 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.680 -4.420 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.065 -4.339 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.269 -3.695 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.014 -2.658 -7.557 1.00 0.00 H new ATOM 898 N LYS A 61 -4.318 0.777 -8.038 1.00 0.00 N ATOM 899 CA LYS A 61 -3.577 1.925 -7.530 1.00 0.00 C ATOM 900 C LYS A 61 -4.491 2.857 -6.742 1.00 0.00 C ATOM 901 O LYS A 61 -5.385 3.489 -7.307 1.00 0.00 O ATOM 902 CB LYS A 61 -2.925 2.688 -8.685 1.00 0.00 C ATOM 903 CG LYS A 61 -2.040 3.837 -8.232 1.00 0.00 C ATOM 904 CD LYS A 61 -1.078 4.266 -9.327 1.00 0.00 C ATOM 905 CE LYS A 61 -1.747 5.201 -10.323 1.00 0.00 C ATOM 906 NZ LYS A 61 -0.815 5.616 -11.407 1.00 0.00 N ATOM 0 H LYS A 61 -5.289 0.976 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.799 1.557 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.330 1.994 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.705 3.077 -9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.662 4.683 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.476 3.537 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.217 4.764 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.703 3.385 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.614 4.706 -10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.114 6.085 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.309 6.252 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.001 6.111 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.485 4.775 -11.922 1.00 0.00 H new ATOM 920 N ASP A 62 -4.261 2.940 -5.437 1.00 0.00 N ATOM 921 CA ASP A 62 -5.062 3.798 -4.571 1.00 0.00 C ATOM 922 C ASP A 62 -4.219 4.931 -3.998 1.00 0.00 C ATOM 923 O ASP A 62 -3.361 4.709 -3.144 1.00 0.00 O ATOM 924 CB ASP A 62 -5.679 2.979 -3.436 1.00 0.00 C ATOM 925 CG ASP A 62 -7.035 2.408 -3.804 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.299 2.242 -5.013 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.831 2.128 -2.884 1.00 0.00 O ATOM 0 H ASP A 62 -3.526 2.423 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.861 4.233 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.005 2.164 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.781 3.608 -2.552 1.00 0.00 H new ATOM 932 N MET A 63 -4.468 6.147 -4.474 1.00 0.00 N ATOM 933 CA MET A 63 -3.730 7.316 -4.007 1.00 0.00 C ATOM 934 C MET A 63 -4.166 7.707 -2.599 1.00 0.00 C ATOM 935 O MET A 63 -5.292 7.428 -2.186 1.00 0.00 O ATOM 936 CB MET A 63 -3.939 8.492 -4.963 1.00 0.00 C ATOM 937 CG MET A 63 -2.770 9.463 -4.996 1.00 0.00 C ATOM 938 SD MET A 63 -2.776 10.605 -3.601 1.00 0.00 S ATOM 939 CE MET A 63 -4.193 11.624 -4.004 1.00 0.00 C ATOM 0 H MET A 63 -5.174 6.349 -5.182 1.00 0.00 H new ATOM 0 HA MET A 63 -2.671 7.060 -3.982 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.109 8.107 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.840 9.031 -4.671 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.836 8.901 -4.997 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.801 10.031 -5.926 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.102 12.588 -3.504 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.236 11.777 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.105 11.128 -3.671 1.00 0.00 H new ATOM 949 N VAL A 64 -3.266 8.353 -1.864 1.00 0.00 N ATOM 950 CA VAL A 64 -3.558 8.783 -0.502 1.00 0.00 C ATOM 951 C VAL A 64 -2.904 10.126 -0.197 1.00 0.00 C ATOM 952 O VAL A 64 -1.825 10.431 -0.703 1.00 0.00 O ATOM 953 CB VAL A 64 -3.077 7.745 0.530 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.525 8.136 1.930 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.585 6.358 0.166 1.00 0.00 C ATOM 0 H VAL A 64 -2.329 8.590 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.641 8.884 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.987 7.723 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.176 7.391 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.107 9.109 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.613 8.188 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.236 5.637 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.675 6.362 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.209 6.079 -0.818 1.00 0.00 H new ATOM 965 N GLU A 65 -3.566 10.926 0.634 1.00 0.00 N ATOM 966 CA GLU A 65 -3.048 12.237 1.005 1.00 0.00 C ATOM 967 C GLU A 65 -1.564 12.159 1.348 1.00 0.00 C ATOM 968 O GLU A 65 -1.099 11.175 1.924 1.00 0.00 O ATOM 969 CB GLU A 65 -3.829 12.800 2.195 1.00 0.00 C ATOM 970 CG GLU A 65 -5.287 12.374 2.222 1.00 0.00 C ATOM 971 CD GLU A 65 -5.924 12.384 0.846 1.00 0.00 C ATOM 972 OE1 GLU A 65 -6.046 13.479 0.257 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.301 11.298 0.358 1.00 0.00 O ATOM 0 H GLU A 65 -4.461 10.689 1.062 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.171 12.903 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.348 12.479 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.778 13.889 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.361 11.372 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.844 13.040 2.881 1.00 0.00 H new ATOM 980 N GLY A 66 -0.823 13.204 0.990 1.00 0.00 N ATOM 981 CA GLY A 66 0.601 13.234 1.267 1.00 0.00 C ATOM 982 C GLY A 66 0.903 13.225 2.753 1.00 0.00 C ATOM 983 O GLY A 66 1.881 12.619 3.191 1.00 0.00 O ATOM 0 H GLY A 66 -1.184 14.030 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.078 12.374 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.037 14.125 0.816 1.00 0.00 H new ATOM 987 N ASP A 67 0.063 13.900 3.529 1.00 0.00 N ATOM 988 CA ASP A 67 0.245 13.968 4.975 1.00 0.00 C ATOM 989 C ASP A 67 -0.163 12.656 5.637 1.00 0.00 C ATOM 990 O ASP A 67 0.206 12.384 6.779 1.00 0.00 O ATOM 991 CB ASP A 67 -0.571 15.123 5.559 1.00 0.00 C ATOM 992 CG ASP A 67 -2.054 14.815 5.615 1.00 0.00 C ATOM 993 OD1 ASP A 67 -2.535 14.056 4.748 1.00 0.00 O ATOM 994 OD2 ASP A 67 -2.734 15.333 6.525 1.00 0.00 O ATOM 0 H ASP A 67 -0.751 14.408 3.182 1.00 0.00 H new ATOM 0 HA ASP A 67 1.302 14.142 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.211 15.346 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.411 16.017 4.957 1.00 0.00 H new ATOM 999 N ARG A 68 -0.927 11.846 4.911 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.387 10.563 5.429 1.00 0.00 C ATOM 1001 C ARG A 68 -0.292 9.507 5.316 1.00 0.00 C ATOM 1002 O ARG A 68 0.344 9.366 4.271 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.635 10.101 4.673 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.508 9.143 5.467 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.258 9.862 6.577 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.506 10.452 6.101 1.00 0.00 N ATOM 1007 CZ ARG A 68 -5.600 11.689 5.626 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -4.524 12.461 5.563 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -6.771 12.155 5.211 1.00 0.00 N ATOM 0 H ARG A 68 -1.240 12.055 3.963 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.636 10.693 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.226 10.974 4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.329 9.617 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.221 8.660 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.889 8.355 5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.473 9.160 7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.624 10.644 6.996 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.352 9.883 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.622 12.105 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.598 13.411 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.601 11.563 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.842 13.105 4.847 1.00 0.00 H new ATOM 1023 N TYR A 69 -0.076 8.768 6.399 1.00 0.00 N ATOM 1024 CA TYR A 69 0.944 7.727 6.423 1.00 0.00 C ATOM 1025 C TYR A 69 0.311 6.346 6.570 1.00 0.00 C ATOM 1026 O TYR A 69 1.007 5.350 6.767 1.00 0.00 O ATOM 1027 CB TYR A 69 1.928 7.974 7.567 1.00 0.00 C ATOM 1028 CG TYR A 69 3.113 8.827 7.174 1.00 0.00 C ATOM 1029 CD1 TYR A 69 2.934 10.041 6.524 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.411 8.419 7.454 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.014 10.824 6.162 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.497 9.196 7.098 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.293 10.397 6.451 1.00 0.00 C ATOM 1034 OH TYR A 69 6.371 11.174 6.094 1.00 0.00 O ATOM 0 H TYR A 69 -0.594 8.871 7.272 1.00 0.00 H new ATOM 0 HA TYR A 69 1.483 7.760 5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.401 8.456 8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.289 7.015 7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.934 10.379 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.574 7.478 7.959 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.857 11.765 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.500 8.865 7.325 1.00 0.00 H new ATOM 0 HH TYR A 69 6.964 11.285 6.866 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.012 6.297 6.473 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.741 5.039 6.595 1.00 0.00 C ATOM 1046 C TRP A 70 -2.931 5.005 5.643 1.00 0.00 C ATOM 1047 O TRP A 70 -3.455 6.048 5.251 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.218 4.840 8.035 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.386 5.706 8.399 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.339 6.979 8.893 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.772 5.363 8.299 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.614 7.447 9.106 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.510 6.475 8.749 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.461 4.225 7.871 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -6.902 6.479 8.784 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.843 4.231 7.907 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.551 5.351 8.359 1.00 0.00 C ATOM 0 H TRP A 70 -1.602 7.113 6.310 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.063 4.228 6.329 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.491 3.795 8.178 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.393 5.050 8.716 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.434 7.535 9.087 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.854 8.369 9.471 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.924 3.357 7.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.450 7.341 9.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.386 3.356 7.581 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.631 5.325 8.373 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.354 3.800 5.274 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.484 3.631 4.368 1.00 0.00 C ATOM 1070 C HIS A 71 -5.165 2.284 4.594 1.00 0.00 C ATOM 1071 O HIS A 71 -4.501 1.264 4.775 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.020 3.743 2.915 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.144 3.727 1.925 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.065 4.748 1.815 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.492 2.807 0.995 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -6.931 4.456 0.862 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.606 3.284 0.347 1.00 0.00 N ATOM 0 H HIS A 71 -2.931 2.927 5.588 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.205 4.422 4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.453 4.666 2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.341 2.920 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.988 1.872 0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.764 5.071 0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.101 2.810 -0.408 1.00 0.00 H new ATOM 1086 N SER A 72 -6.494 2.290 4.583 1.00 0.00 N ATOM 1087 CA SER A 72 -7.266 1.070 4.792 1.00 0.00 C ATOM 1088 C SER A 72 -7.955 0.636 3.501 1.00 0.00 C ATOM 1089 O SER A 72 -8.943 1.238 3.080 1.00 0.00 O ATOM 1090 CB SER A 72 -8.306 1.282 5.893 1.00 0.00 C ATOM 1091 OG SER A 72 -9.136 2.394 5.604 1.00 0.00 O ATOM 0 H SER A 72 -7.059 3.126 4.432 1.00 0.00 H new ATOM 0 HA SER A 72 -6.579 0.282 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.917 0.386 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.803 1.438 6.847 1.00 0.00 H new ATOM 0 HG SER A 72 -9.374 2.386 4.653 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.426 -0.413 2.880 1.00 0.00 N ATOM 1098 CA ILE A 73 -7.990 -0.929 1.639 1.00 0.00 C ATOM 1099 C ILE A 73 -9.326 -1.621 1.888 1.00 0.00 C ATOM 1100 O ILE A 73 -9.544 -2.211 2.946 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.031 -1.921 0.955 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.619 -1.337 0.891 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.532 -2.265 -0.440 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.543 -2.379 0.675 1.00 0.00 C ATOM 0 H ILE A 73 -6.608 -0.922 3.216 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.144 -0.073 0.982 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.998 -2.837 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.573 -0.606 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.414 -0.801 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.844 -2.967 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.521 -2.718 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.591 -1.357 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.568 -1.893 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.562 -3.097 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.723 -2.899 -0.266 1.00 0.00 H new ATOM 1116 N SER A 74 -10.218 -1.545 0.906 1.00 0.00 N ATOM 1117 CA SER A 74 -11.535 -2.162 1.019 1.00 0.00 C ATOM 1118 C SER A 74 -11.912 -2.878 -0.275 1.00 0.00 C ATOM 1119 O SER A 74 -11.216 -2.767 -1.284 1.00 0.00 O ATOM 1120 CB SER A 74 -12.589 -1.105 1.357 1.00 0.00 C ATOM 1121 OG SER A 74 -12.065 -0.125 2.236 1.00 0.00 O ATOM 0 H SER A 74 -10.053 -1.062 0.023 1.00 0.00 H new ATOM 0 HA SER A 74 -11.498 -2.897 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.937 -0.628 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.455 -1.584 1.815 1.00 0.00 H new ATOM 0 HG SER A 74 -12.757 0.539 2.435 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.019 -3.612 -0.236 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.491 -4.347 -1.404 1.00 0.00 C ATOM 1129 C HIS A 75 -12.534 -5.483 -1.754 1.00 0.00 C ATOM 1130 O HIS A 75 -12.191 -5.683 -2.920 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.640 -3.404 -2.599 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.199 -2.063 -2.237 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -13.941 -0.919 -2.964 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.009 -1.686 -1.220 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -14.566 0.103 -2.408 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -15.221 -0.335 -1.348 1.00 0.00 N ATOM 0 H HIS A 75 -13.606 -3.714 0.592 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.464 -4.776 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.665 -3.268 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.288 -3.870 -3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.413 -2.328 -0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.545 1.124 -2.760 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -15.792 0.237 -0.726 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.107 -6.223 -0.738 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.189 -7.340 -0.937 1.00 0.00 C ATOM 1147 C LEU A 76 -11.876 -8.669 -0.643 1.00 0.00 C ATOM 1148 O LEU A 76 -13.053 -8.704 -0.286 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.958 -7.180 -0.043 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.284 -5.808 -0.067 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.604 -5.524 1.263 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.282 -5.726 -1.209 1.00 0.00 C ATOM 0 H LEU A 76 -12.381 -6.071 0.233 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.875 -7.338 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.248 -7.402 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.222 -7.929 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.051 -5.050 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.130 -4.543 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.346 -5.539 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.848 -6.286 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.812 -4.743 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.518 -6.493 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.797 -5.884 -2.157 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.132 -9.760 -0.795 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.671 -11.092 -0.544 1.00 0.00 C ATOM 1166 C GLN A 77 -11.315 -11.567 0.861 1.00 0.00 C ATOM 1167 O GLN A 77 -10.211 -11.344 1.357 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.139 -12.084 -1.580 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.234 -11.578 -3.010 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.258 -10.455 -3.298 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.002 -10.647 -2.910 1.00 0.00 O flip ATOM 1172 NE2 GLN A 77 -10.627 -9.425 -3.863 1.00 0.00 N flip ATOM 0 H GLN A 77 -10.156 -9.748 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.757 -11.039 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.098 -12.311 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.695 -13.018 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.045 -12.403 -3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.249 -11.230 -3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.602 -9.319 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.958 -8.678 -4.050 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.272 -12.237 1.520 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.083 -12.758 2.877 1.00 0.00 C ATOM 1183 C PRO A 78 -11.101 -13.923 2.919 1.00 0.00 C ATOM 1184 O PRO A 78 -10.901 -14.614 1.921 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.485 -13.225 3.276 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.168 -13.520 1.985 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.613 -12.539 0.990 1.00 0.00 C ATOM 0 HA PRO A 78 -11.662 -12.008 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.442 -14.109 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.014 -12.455 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.979 -14.546 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.248 -13.410 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.562 -12.967 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.230 -11.643 0.923 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.491 -14.136 4.081 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.529 -15.218 4.252 1.00 0.00 C ATOM 1197 C GLU A 79 -8.736 -15.448 2.969 1.00 0.00 C ATOM 1198 O GLU A 79 -8.364 -16.578 2.648 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.246 -16.508 4.659 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.649 -16.630 4.090 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.235 -18.016 4.274 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.670 -18.979 3.715 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -13.259 -18.138 4.979 1.00 0.00 O ATOM 0 H GLU A 79 -10.646 -13.573 4.918 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.835 -14.931 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.654 -17.362 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.299 -16.557 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.297 -15.899 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.629 -16.386 3.028 1.00 0.00 H new ATOM 1210 N THR A 80 -8.479 -14.368 2.237 1.00 0.00 N ATOM 1211 CA THR A 80 -7.732 -14.451 0.989 1.00 0.00 C ATOM 1212 C THR A 80 -6.336 -13.857 1.143 1.00 0.00 C ATOM 1213 O THR A 80 -6.174 -12.639 1.219 1.00 0.00 O ATOM 1214 CB THR A 80 -8.464 -13.722 -0.154 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.789 -14.245 -0.299 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.707 -13.872 -1.465 1.00 0.00 C ATOM 0 H THR A 80 -8.778 -13.425 2.488 1.00 0.00 H new ATOM 0 HA THR A 80 -7.649 -15.509 0.741 1.00 0.00 H new ATOM 0 HB THR A 80 -8.518 -12.662 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.302 -14.068 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.243 -13.349 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.709 -13.446 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.625 -14.929 -1.719 1.00 0.00 H new ATOM 1224 N SER A 81 -5.331 -14.725 1.188 1.00 0.00 N ATOM 1225 CA SER A 81 -3.948 -14.287 1.337 1.00 0.00 C ATOM 1226 C SER A 81 -3.406 -13.744 0.018 1.00 0.00 C ATOM 1227 O SER A 81 -3.176 -14.497 -0.929 1.00 0.00 O ATOM 1228 CB SER A 81 -3.073 -15.443 1.824 1.00 0.00 C ATOM 1229 OG SER A 81 -1.972 -14.968 2.579 1.00 0.00 O ATOM 0 H SER A 81 -5.448 -15.736 1.123 1.00 0.00 H new ATOM 0 HA SER A 81 -3.924 -13.487 2.077 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.669 -16.123 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.712 -16.015 0.969 1.00 0.00 H new ATOM 0 HG SER A 81 -1.430 -15.727 2.880 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.204 -12.432 -0.036 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.691 -11.787 -1.238 1.00 0.00 C ATOM 1237 C TYR A 82 -1.572 -10.808 -0.896 1.00 0.00 C ATOM 1238 O TYR A 82 -1.480 -10.321 0.231 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.818 -11.055 -1.970 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.675 -10.203 -1.062 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.191 -9.013 -0.532 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.969 -10.587 -0.734 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.970 -8.231 0.299 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.757 -9.810 0.094 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.253 -8.634 0.608 1.00 0.00 C ATOM 1246 OH TYR A 82 -7.033 -7.858 1.435 1.00 0.00 O ATOM 0 H TYR A 82 -3.388 -11.795 0.739 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.285 -12.561 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.386 -10.423 -2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.451 -11.788 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.188 -8.694 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.366 -11.509 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.577 -7.310 0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.762 -10.122 0.337 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.978 -8.077 1.294 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.723 -10.524 -1.878 1.00 0.00 N ATOM 1257 CA ASP A 83 0.390 -9.601 -1.683 1.00 0.00 C ATOM 1258 C ASP A 83 -0.089 -8.154 -1.733 1.00 0.00 C ATOM 1259 O ASP A 83 -1.096 -7.845 -2.370 1.00 0.00 O ATOM 1260 CB ASP A 83 1.464 -9.833 -2.747 1.00 0.00 C ATOM 1261 CG ASP A 83 2.183 -11.156 -2.565 1.00 0.00 C ATOM 1262 OD1 ASP A 83 1.625 -12.195 -2.974 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.303 -11.151 -2.013 1.00 0.00 O ATOM 0 H ASP A 83 -0.784 -10.919 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 83 0.818 -9.789 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.004 -9.805 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.190 -9.020 -2.710 1.00 0.00 H new ATOM 1268 N ILE A 84 0.640 -7.272 -1.057 1.00 0.00 N ATOM 1269 CA ILE A 84 0.289 -5.857 -1.024 1.00 0.00 C ATOM 1270 C ILE A 84 1.536 -4.981 -1.056 1.00 0.00 C ATOM 1271 O ILE A 84 2.510 -5.241 -0.349 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.536 -5.511 0.229 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.839 -6.312 0.247 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.826 -4.018 0.276 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.345 -6.613 1.640 1.00 0.00 C ATOM 0 H ILE A 84 1.477 -7.512 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.313 -5.660 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 84 0.044 -5.778 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.604 -5.758 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.686 -7.251 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.410 -3.789 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.113 -3.466 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.389 -3.729 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.272 -7.183 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.598 -7.194 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.530 -5.679 2.170 1.00 0.00 H new ATOM 1287 N LYS A 85 1.500 -3.939 -1.880 1.00 0.00 N ATOM 1288 CA LYS A 85 2.625 -3.021 -2.003 1.00 0.00 C ATOM 1289 C LYS A 85 2.142 -1.577 -2.098 1.00 0.00 C ATOM 1290 O LYS A 85 0.940 -1.314 -2.092 1.00 0.00 O ATOM 1291 CB LYS A 85 3.463 -3.370 -3.235 1.00 0.00 C ATOM 1292 CG LYS A 85 2.843 -2.910 -4.543 1.00 0.00 C ATOM 1293 CD LYS A 85 3.874 -2.852 -5.658 1.00 0.00 C ATOM 1294 CE LYS A 85 3.962 -4.174 -6.405 1.00 0.00 C ATOM 1295 NZ LYS A 85 2.627 -4.634 -6.878 1.00 0.00 N ATOM 0 H LYS A 85 0.702 -3.710 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 85 3.242 -3.122 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.450 -2.919 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.608 -4.450 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.039 -3.590 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.395 -1.925 -4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.613 -2.056 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.850 -2.603 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.632 -4.065 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.397 -4.931 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.747 -5.258 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.149 -5.154 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.052 -3.811 -7.149 1.00 0.00 H new ATOM 1309 N MET A 86 3.086 -0.646 -2.186 1.00 0.00 N ATOM 1310 CA MET A 86 2.755 0.771 -2.285 1.00 0.00 C ATOM 1311 C MET A 86 3.959 1.579 -2.758 1.00 0.00 C ATOM 1312 O MET A 86 5.071 1.059 -2.843 1.00 0.00 O ATOM 1313 CB MET A 86 2.271 1.299 -0.933 1.00 0.00 C ATOM 1314 CG MET A 86 3.359 1.339 0.128 1.00 0.00 C ATOM 1315 SD MET A 86 2.985 2.492 1.463 1.00 0.00 S ATOM 1316 CE MET A 86 2.560 3.962 0.532 1.00 0.00 C ATOM 0 H MET A 86 4.086 -0.847 -2.191 1.00 0.00 H new ATOM 0 HA MET A 86 1.955 0.881 -3.018 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.869 2.303 -1.067 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.453 0.672 -0.579 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.493 0.340 0.543 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.304 1.621 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.883 4.846 1.081 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.058 3.935 -0.437 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.481 4.000 0.385 1.00 0.00 H new ATOM 1326 N GLN A 87 3.728 2.851 -3.065 1.00 0.00 N ATOM 1327 CA GLN A 87 4.795 3.730 -3.531 1.00 0.00 C ATOM 1328 C GLN A 87 4.352 5.189 -3.498 1.00 0.00 C ATOM 1329 O GLN A 87 3.173 5.494 -3.684 1.00 0.00 O ATOM 1330 CB GLN A 87 5.218 3.345 -4.950 1.00 0.00 C ATOM 1331 CG GLN A 87 5.792 4.503 -5.749 1.00 0.00 C ATOM 1332 CD GLN A 87 4.720 5.328 -6.434 1.00 0.00 C ATOM 1333 OE1 GLN A 87 4.238 6.319 -5.885 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.341 4.922 -7.640 1.00 0.00 N ATOM 0 H GLN A 87 2.813 3.296 -3.000 1.00 0.00 H new ATOM 0 HA GLN A 87 5.647 3.613 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.960 2.549 -4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.356 2.941 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.371 5.145 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.481 4.115 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.768 4.095 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.623 5.437 -8.149 1.00 0.00 H new ATOM 1343 N CYS A 88 5.303 6.085 -3.260 1.00 0.00 N ATOM 1344 CA CYS A 88 5.011 7.513 -3.202 1.00 0.00 C ATOM 1345 C CYS A 88 5.324 8.187 -4.534 1.00 0.00 C ATOM 1346 O CYS A 88 6.128 7.687 -5.321 1.00 0.00 O ATOM 1347 CB CYS A 88 5.813 8.174 -2.081 1.00 0.00 C ATOM 1348 SG CYS A 88 7.563 8.413 -2.468 1.00 0.00 S ATOM 0 H CYS A 88 6.283 5.848 -3.104 1.00 0.00 H new ATOM 0 HA CYS A 88 3.947 7.633 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.367 9.142 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.731 7.564 -1.181 1.00 0.00 H new ATOM 0 HG CYS A 88 8.157 8.980 -1.460 1.00 0.00 H new ATOM 1354 N PHE A 89 4.683 9.325 -4.780 1.00 0.00 N ATOM 1355 CA PHE A 89 4.891 10.066 -6.019 1.00 0.00 C ATOM 1356 C PHE A 89 4.850 11.571 -5.765 1.00 0.00 C ATOM 1357 O PHE A 89 4.625 12.015 -4.640 1.00 0.00 O ATOM 1358 CB PHE A 89 3.830 9.683 -7.052 1.00 0.00 C ATOM 1359 CG PHE A 89 2.456 10.187 -6.716 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.744 9.643 -5.658 1.00 0.00 C ATOM 1361 CD2 PHE A 89 1.875 11.203 -7.457 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.479 10.105 -5.346 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.611 11.669 -7.149 1.00 0.00 C ATOM 1364 CZ PHE A 89 -0.088 11.118 -6.093 1.00 0.00 C ATOM 0 H PHE A 89 4.016 9.754 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 89 5.876 9.807 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.124 10.075 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.798 8.597 -7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.183 8.850 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.416 11.636 -8.285 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.065 9.674 -4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.170 12.463 -7.733 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.077 11.479 -5.852 1.00 0.00 H new ATOM 1374 N ASN A 90 5.070 12.349 -6.819 1.00 0.00 N ATOM 1375 CA ASN A 90 5.060 13.803 -6.711 1.00 0.00 C ATOM 1376 C ASN A 90 5.182 14.452 -8.087 1.00 0.00 C ATOM 1377 O ASN A 90 5.564 13.800 -9.059 1.00 0.00 O ATOM 1378 CB ASN A 90 6.201 14.277 -5.809 1.00 0.00 C ATOM 1379 CG ASN A 90 6.424 15.774 -5.896 1.00 0.00 C ATOM 1380 OD1 ASN A 90 5.524 16.564 -5.613 1.00 0.00 O ATOM 1381 ND2 ASN A 90 7.629 16.171 -6.290 1.00 0.00 N ATOM 0 H ASN A 90 5.257 11.997 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 90 4.109 14.102 -6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.981 14.005 -4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.119 13.759 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.838 17.166 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.345 15.480 -6.515 1.00 0.00 H new ATOM 1388 N GLU A 91 4.857 15.738 -8.160 1.00 0.00 N ATOM 1389 CA GLU A 91 4.930 16.474 -9.417 1.00 0.00 C ATOM 1390 C GLU A 91 6.228 16.161 -10.155 1.00 0.00 C ATOM 1391 O GLU A 91 6.277 16.186 -11.384 1.00 0.00 O ATOM 1392 CB GLU A 91 4.827 17.979 -9.159 1.00 0.00 C ATOM 1393 CG GLU A 91 6.170 18.650 -8.925 1.00 0.00 C ATOM 1394 CD GLU A 91 6.069 19.853 -8.007 1.00 0.00 C ATOM 1395 OE1 GLU A 91 5.736 19.665 -6.818 1.00 0.00 O ATOM 1396 OE2 GLU A 91 6.322 20.981 -8.478 1.00 0.00 O ATOM 0 H GLU A 91 4.541 16.292 -7.364 1.00 0.00 H new ATOM 0 HA GLU A 91 4.093 16.162 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.337 18.452 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.190 18.147 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.863 17.927 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.588 18.962 -9.882 1.00 0.00 H new ATOM 1403 N GLY A 92 7.279 15.867 -9.395 1.00 0.00 N ATOM 1404 CA GLY A 92 8.563 15.554 -9.994 1.00 0.00 C ATOM 1405 C GLY A 92 8.589 14.176 -10.624 1.00 0.00 C ATOM 1406 O GLY A 92 9.127 13.995 -11.716 1.00 0.00 O ATOM 0 H GLY A 92 7.264 15.840 -8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.798 16.301 -10.752 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.340 15.617 -9.233 1.00 0.00 H new ATOM 1410 N GLY A 93 8.006 13.200 -9.934 1.00 0.00 N ATOM 1411 CA GLY A 93 7.977 11.843 -10.448 1.00 0.00 C ATOM 1412 C GLY A 93 7.665 10.822 -9.372 1.00 0.00 C ATOM 1413 O GLY A 93 7.595 11.159 -8.190 1.00 0.00 O ATOM 0 H GLY A 93 7.553 13.325 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.230 11.773 -11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.941 11.608 -10.899 1.00 0.00 H new ATOM 1417 N GLU A 94 7.477 9.571 -9.782 1.00 0.00 N ATOM 1418 CA GLU A 94 7.168 8.499 -8.843 1.00 0.00 C ATOM 1419 C GLU A 94 8.445 7.912 -8.248 1.00 0.00 C ATOM 1420 O GLU A 94 9.539 8.120 -8.772 1.00 0.00 O ATOM 1421 CB GLU A 94 6.363 7.399 -9.538 1.00 0.00 C ATOM 1422 CG GLU A 94 5.013 7.868 -10.055 1.00 0.00 C ATOM 1423 CD GLU A 94 5.082 8.387 -11.478 1.00 0.00 C ATOM 1424 OE1 GLU A 94 5.804 7.780 -12.296 1.00 0.00 O ATOM 1425 OE2 GLU A 94 4.415 9.401 -11.773 1.00 0.00 O ATOM 0 H GLU A 94 7.533 9.276 -10.757 1.00 0.00 H new ATOM 0 HA GLU A 94 6.571 8.920 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.945 7.006 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.210 6.576 -8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.303 7.042 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.632 8.654 -9.403 1.00 0.00 H new ATOM 1432 N SER A 95 8.296 7.177 -7.151 1.00 0.00 N ATOM 1433 CA SER A 95 9.436 6.563 -6.482 1.00 0.00 C ATOM 1434 C SER A 95 9.473 5.060 -6.740 1.00 0.00 C ATOM 1435 O SER A 95 8.647 4.527 -7.480 1.00 0.00 O ATOM 1436 CB SER A 95 9.377 6.831 -4.977 1.00 0.00 C ATOM 1437 OG SER A 95 10.468 6.224 -4.307 1.00 0.00 O ATOM 0 H SER A 95 7.397 6.992 -6.707 1.00 0.00 H new ATOM 0 HA SER A 95 10.345 7.007 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.387 7.906 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.440 6.448 -4.573 1.00 0.00 H new ATOM 0 HG SER A 95 10.231 5.305 -4.062 1.00 0.00 H new ATOM 1443 N GLU A 96 10.438 4.383 -6.125 1.00 0.00 N ATOM 1444 CA GLU A 96 10.584 2.942 -6.290 1.00 0.00 C ATOM 1445 C GLU A 96 9.393 2.202 -5.685 1.00 0.00 C ATOM 1446 O GLU A 96 8.650 2.757 -4.875 1.00 0.00 O ATOM 1447 CB GLU A 96 11.882 2.460 -5.638 1.00 0.00 C ATOM 1448 CG GLU A 96 13.134 3.036 -6.278 1.00 0.00 C ATOM 1449 CD GLU A 96 13.444 2.406 -7.622 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.820 1.215 -7.648 1.00 0.00 O ATOM 1451 OE2 GLU A 96 13.311 3.104 -8.649 1.00 0.00 O ATOM 0 H GLU A 96 11.130 4.809 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 96 10.620 2.726 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.869 2.726 -4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.924 1.372 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.011 4.112 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.981 2.889 -5.608 1.00 0.00 H new ATOM 1458 N PHE A 97 9.219 0.947 -6.085 1.00 0.00 N ATOM 1459 CA PHE A 97 8.119 0.131 -5.585 1.00 0.00 C ATOM 1460 C PHE A 97 8.435 -0.416 -4.196 1.00 0.00 C ATOM 1461 O PHE A 97 9.381 -1.185 -4.020 1.00 0.00 O ATOM 1462 CB PHE A 97 7.834 -1.024 -6.547 1.00 0.00 C ATOM 1463 CG PHE A 97 7.121 -0.598 -7.799 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.719 0.282 -8.687 1.00 0.00 C ATOM 1465 CD2 PHE A 97 5.854 -1.079 -8.088 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.066 0.675 -9.840 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.197 -0.689 -9.240 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.803 0.190 -10.117 1.00 0.00 C ATOM 0 H PHE A 97 9.826 0.473 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 97 7.234 0.763 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.776 -1.501 -6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.233 -1.775 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.706 0.665 -8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.375 -1.766 -7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.543 1.361 -10.524 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.210 -1.071 -9.455 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.290 0.497 -11.017 1.00 0.00 H new ATOM 1478 N SER A 98 7.638 -0.013 -3.212 1.00 0.00 N ATOM 1479 CA SER A 98 7.835 -0.459 -1.837 1.00 0.00 C ATOM 1480 C SER A 98 7.853 -1.982 -1.758 1.00 0.00 C ATOM 1481 O SER A 98 7.481 -2.669 -2.708 1.00 0.00 O ATOM 1482 CB SER A 98 6.731 0.097 -0.936 1.00 0.00 C ATOM 1483 OG SER A 98 5.533 -0.646 -1.080 1.00 0.00 O ATOM 0 H SER A 98 6.850 0.621 -3.341 1.00 0.00 H new ATOM 0 HA SER A 98 8.799 -0.083 -1.493 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.057 0.069 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.547 1.142 -1.184 1.00 0.00 H new ATOM 0 HG SER A 98 5.197 -0.900 -0.195 1.00 0.00 H new ATOM 1489 N ASN A 99 8.290 -2.504 -0.616 1.00 0.00 N ATOM 1490 CA ASN A 99 8.358 -3.946 -0.410 1.00 0.00 C ATOM 1491 C ASN A 99 6.986 -4.587 -0.595 1.00 0.00 C ATOM 1492 O ASN A 99 5.972 -3.895 -0.683 1.00 0.00 O ATOM 1493 CB ASN A 99 8.895 -4.258 0.988 1.00 0.00 C ATOM 1494 CG ASN A 99 8.253 -3.398 2.059 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.359 -2.171 2.032 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.583 -4.038 3.010 1.00 0.00 N ATOM 0 H ASN A 99 8.602 -1.949 0.181 1.00 0.00 H new ATOM 0 HA ASN A 99 9.037 -4.363 -1.154 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.718 -5.309 1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.974 -4.106 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.130 -3.512 3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.521 -5.056 2.993 1.00 0.00 H new ATOM 1503 N VAL A 100 6.963 -5.915 -0.654 1.00 0.00 N ATOM 1504 CA VAL A 100 5.716 -6.651 -0.826 1.00 0.00 C ATOM 1505 C VAL A 100 5.301 -7.340 0.469 1.00 0.00 C ATOM 1506 O VAL A 100 5.940 -8.296 0.907 1.00 0.00 O ATOM 1507 CB VAL A 100 5.837 -7.706 -1.941 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.543 -8.496 -2.072 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.204 -7.047 -3.262 1.00 0.00 C ATOM 0 H VAL A 100 7.794 -6.503 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 100 4.955 -5.923 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 100 6.634 -8.400 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.648 -9.237 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.328 -9.001 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.725 -7.817 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.285 -7.808 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.432 -6.329 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.159 -6.531 -3.158 1.00 0.00 H new ATOM 1519 N MET A 101 4.226 -6.848 1.076 1.00 0.00 N ATOM 1520 CA MET A 101 3.724 -7.419 2.321 1.00 0.00 C ATOM 1521 C MET A 101 2.475 -8.258 2.069 1.00 0.00 C ATOM 1522 O MET A 101 1.573 -7.842 1.341 1.00 0.00 O ATOM 1523 CB MET A 101 3.412 -6.309 3.326 1.00 0.00 C ATOM 1524 CG MET A 101 4.640 -5.529 3.770 1.00 0.00 C ATOM 1525 SD MET A 101 5.694 -6.473 4.888 1.00 0.00 S ATOM 1526 CE MET A 101 4.886 -6.164 6.457 1.00 0.00 C ATOM 0 H MET A 101 3.686 -6.056 0.727 1.00 0.00 H new ATOM 0 HA MET A 101 4.498 -8.066 2.733 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.694 -5.619 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.933 -6.747 4.202 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.217 -5.237 2.893 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.323 -4.610 4.264 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.625 -5.841 7.190 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.134 -5.385 6.332 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.406 -7.078 6.805 1.00 0.00 H new ATOM 1536 N ILE A 102 2.430 -9.439 2.675 1.00 0.00 N ATOM 1537 CA ILE A 102 1.291 -10.336 2.517 1.00 0.00 C ATOM 1538 C ILE A 102 0.390 -10.302 3.747 1.00 0.00 C ATOM 1539 O ILE A 102 0.682 -10.935 4.761 1.00 0.00 O ATOM 1540 CB ILE A 102 1.746 -11.786 2.268 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.646 -11.856 1.032 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.540 -12.699 2.105 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.405 -13.159 0.911 1.00 0.00 C ATOM 0 H ILE A 102 3.169 -9.798 3.280 1.00 0.00 H new ATOM 0 HA ILE A 102 0.732 -9.986 1.650 1.00 0.00 H new ATOM 0 HB ILE A 102 2.319 -12.125 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.036 -11.716 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.358 -11.031 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.878 -13.720 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.065 -12.668 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.058 -12.364 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.022 -13.139 0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.042 -13.292 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.699 -13.987 0.847 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.708 -9.559 3.648 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.654 -9.443 4.753 1.00 0.00 C ATOM 1557 C CYS A 103 -2.915 -10.254 4.475 1.00 0.00 C ATOM 1558 O CYS A 103 -3.737 -9.875 3.641 1.00 0.00 O ATOM 1559 CB CYS A 103 -2.017 -7.976 4.988 1.00 0.00 C ATOM 1560 SG CYS A 103 -3.043 -7.696 6.450 1.00 0.00 S ATOM 0 H CYS A 103 -0.965 -9.029 2.815 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.179 -9.840 5.650 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -1.099 -7.396 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.542 -7.597 4.111 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.124 -8.412 6.365 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.061 -11.372 5.179 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.221 -12.238 5.006 1.00 0.00 C ATOM 1568 C GLU A 104 -5.455 -11.632 5.668 1.00 0.00 C ATOM 1569 O GLU A 104 -5.446 -11.321 6.860 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.944 -13.624 5.592 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.787 -14.726 4.973 1.00 0.00 C ATOM 1572 CD GLU A 104 -4.978 -15.907 5.905 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.846 -15.825 6.798 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.257 -16.914 5.740 1.00 0.00 O ATOM 0 H GLU A 104 -2.390 -11.699 5.874 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.413 -12.335 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.890 -13.864 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.127 -13.598 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.762 -14.322 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.313 -15.067 4.052 1.00 0.00 H new ATOM 1581 N THR A 105 -6.518 -11.465 4.886 1.00 0.00 N ATOM 1582 CA THR A 105 -7.759 -10.895 5.394 1.00 0.00 C ATOM 1583 C THR A 105 -8.388 -11.799 6.448 1.00 0.00 C ATOM 1584 O THR A 105 -7.923 -12.914 6.683 1.00 0.00 O ATOM 1585 CB THR A 105 -8.775 -10.661 4.261 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.782 -11.782 3.370 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.442 -9.394 3.488 1.00 0.00 C ATOM 0 H THR A 105 -6.543 -11.717 3.898 1.00 0.00 H new ATOM 0 HA THR A 105 -7.505 -9.937 5.847 1.00 0.00 H new ATOM 0 HB THR A 105 -9.763 -10.546 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.987 -11.477 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.174 -9.250 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.467 -8.539 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.447 -9.484 3.053 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.450 -11.311 7.081 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.146 -12.076 8.109 1.00 0.00 C ATOM 1597 C LYS A 106 -11.174 -13.015 7.487 1.00 0.00 C ATOM 1598 O LYS A 106 -11.685 -12.756 6.397 1.00 0.00 O ATOM 1599 CB LYS A 106 -10.835 -11.132 9.097 1.00 0.00 C ATOM 1600 CG LYS A 106 -9.884 -10.507 10.104 1.00 0.00 C ATOM 1601 CD LYS A 106 -10.579 -10.224 11.426 1.00 0.00 C ATOM 1602 CE LYS A 106 -9.912 -9.078 12.171 1.00 0.00 C ATOM 1603 NZ LYS A 106 -10.103 -9.189 13.644 1.00 0.00 N ATOM 0 H LYS A 106 -9.847 -10.389 6.900 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.408 -12.676 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.335 -10.339 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.609 -11.682 9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.039 -11.175 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.481 -9.579 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.626 -9.981 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.564 -11.120 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.846 -9.068 11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.322 -8.130 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.634 -8.390 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.119 -9.173 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.689 -10.082 13.981 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.474 -14.105 8.186 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.444 -15.080 7.703 1.00 0.00 C ATOM 1619 C ALA A 107 -13.853 -14.496 7.698 1.00 0.00 C ATOM 1620 O ALA A 107 -14.261 -13.827 8.647 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.395 -16.339 8.555 1.00 0.00 C ATOM 0 H ALA A 107 -11.059 -14.335 9.089 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.183 -15.339 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.124 -17.059 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.397 -16.774 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.628 -16.087 9.590 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.591 -14.754 6.623 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.954 -14.253 6.494 1.00 0.00 C ATOM 1629 C ARG A 108 -16.953 -15.232 7.104 1.00 0.00 C ATOM 1630 O ARG A 108 -18.165 -15.044 6.997 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.293 -14.010 5.023 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.176 -15.255 4.157 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.494 -16.009 4.084 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.325 -17.355 3.545 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.011 -17.606 2.279 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -16.832 -16.607 1.426 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -16.875 -18.859 1.864 1.00 0.00 N ATOM 0 H ARG A 108 -14.268 -15.307 5.829 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.021 -13.309 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.309 -13.623 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.630 -13.240 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.861 -14.972 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.403 -15.909 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.932 -16.070 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -18.195 -15.454 3.460 1.00 0.00 H new ATOM 0 HE ARG A 108 -17.455 -18.146 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.935 -15.642 1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -16.591 -16.803 0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.012 -19.630 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.634 -19.051 0.892 1.00 0.00 H new ATOM 1651 N SER A 109 -16.436 -16.277 7.742 1.00 0.00 N ATOM 1652 CA SER A 109 -17.283 -17.287 8.365 1.00 0.00 C ATOM 1653 C SER A 109 -18.325 -16.640 9.271 1.00 0.00 C ATOM 1654 O SER A 109 -17.989 -15.872 10.173 1.00 0.00 O ATOM 1655 CB SER A 109 -16.431 -18.271 9.169 1.00 0.00 C ATOM 1656 OG SER A 109 -17.192 -19.400 9.564 1.00 0.00 O ATOM 0 H SER A 109 -15.435 -16.446 7.841 1.00 0.00 H new ATOM 0 HA SER A 109 -17.802 -17.828 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.580 -18.594 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.029 -17.773 10.051 1.00 0.00 H new ATOM 0 HG SER A 109 -16.625 -20.015 10.075 1.00 0.00 H new ATOM 1662 N GLY A 110 -19.593 -16.955 9.025 1.00 0.00 N ATOM 1663 CA GLY A 110 -20.666 -16.396 9.826 1.00 0.00 C ATOM 1664 C GLY A 110 -22.006 -16.452 9.121 1.00 0.00 C ATOM 1665 O GLY A 110 -22.084 -16.602 7.902 1.00 0.00 O ATOM 0 H GLY A 110 -19.896 -17.588 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.732 -16.939 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.431 -15.360 10.071 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.093 -16.332 9.898 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.457 -16.368 9.361 1.00 0.00 C ATOM 1671 C PRO A 111 -24.789 -15.129 8.536 1.00 0.00 C ATOM 1672 O PRO A 111 -24.075 -14.127 8.589 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.331 -16.423 10.617 1.00 0.00 C ATOM 1674 CG PRO A 111 -24.500 -15.799 11.684 1.00 0.00 C ATOM 1675 CD PRO A 111 -23.075 -16.150 11.359 1.00 0.00 C ATOM 0 HA PRO A 111 -24.606 -17.209 8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.265 -15.879 10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.596 -17.450 10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.640 -14.718 11.706 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.780 -16.177 12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -22.388 -15.358 11.657 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.757 -17.057 11.873 1.00 0.00 H new ATOM 1683 N SER A 112 -25.875 -15.204 7.774 1.00 0.00 N ATOM 1684 CA SER A 112 -26.299 -14.090 6.935 1.00 0.00 C ATOM 1685 C SER A 112 -27.814 -13.917 6.986 1.00 0.00 C ATOM 1686 O SER A 112 -28.561 -14.738 6.453 1.00 0.00 O ATOM 1687 CB SER A 112 -25.847 -14.311 5.490 1.00 0.00 C ATOM 1688 OG SER A 112 -26.349 -13.296 4.638 1.00 0.00 O ATOM 0 H SER A 112 -26.478 -16.025 7.720 1.00 0.00 H new ATOM 0 HA SER A 112 -25.834 -13.181 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 112 -24.758 -14.323 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.192 -15.285 5.143 1.00 0.00 H new ATOM 0 HG SER A 112 -26.045 -13.459 3.721 1.00 0.00 H new ATOM 1694 N SER A 113 -28.260 -12.844 7.630 1.00 0.00 N ATOM 1695 CA SER A 113 -29.686 -12.564 7.754 1.00 0.00 C ATOM 1696 C SER A 113 -30.115 -11.481 6.769 1.00 0.00 C ATOM 1697 O SER A 113 -29.822 -10.302 6.959 1.00 0.00 O ATOM 1698 CB SER A 113 -30.019 -12.131 9.183 1.00 0.00 C ATOM 1699 OG SER A 113 -31.348 -12.485 9.527 1.00 0.00 O ATOM 0 H SER A 113 -27.655 -12.154 8.074 1.00 0.00 H new ATOM 0 HA SER A 113 -30.232 -13.478 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 113 -29.323 -12.599 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 113 -29.890 -11.053 9.279 1.00 0.00 H new ATOM 0 HG SER A 113 -31.535 -12.199 10.445 1.00 0.00 H new ATOM 1705 N GLY A 114 -30.812 -11.893 5.714 1.00 0.00 N ATOM 1706 CA GLY A 114 -31.271 -10.947 4.714 1.00 0.00 C ATOM 1707 C GLY A 114 -30.164 -10.032 4.230 1.00 0.00 C ATOM 1708 O GLY A 114 -28.982 -10.349 4.368 1.00 0.00 O ATOM 0 H GLY A 114 -31.067 -12.864 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -31.685 -11.492 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -32.079 -10.346 5.131 1.00 0.00 H new TER 1712 GLY A 114