USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 732 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 80 GLN : amide:sc= -1.87 K(o=-3,f=-5.5!) USER MOD Set 1.2: A 89 GLN : amide:sc= -1.01 K(o=-3,f=-5.5) USER MOD Set 1.3: A 106 ASN : amide:sc= -0.0929 K(o=-3,f=-4.3) USER MOD Set 2.1: A 51 THR OG1 : rot -127:sc= -0.5! USER MOD Set 2.2: A 53 GLN : amide:sc= -2.69! C(o=-3.2!,f=-14!) USER MOD Set 3.1: A 34 GLN : amide:sc= -0.328 K(o=-0.95,f=-1.5) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.625 K(o=-0.95,f=-1.5) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00478 X(o=-0.0048,f=0) USER MOD Single : A 20 MET CE :methyl 145:sc= -0.209 (180deg=-0.966) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.12) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.49! USER MOD Single : A 39 THR OG1 : rot -66:sc= 1.31 USER MOD Single : A 41 ASN : amide:sc= -4.11! C(o=-4.1!,f=-8.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.94) USER MOD Single : A 50 MET CE :methyl -131:sc= -6.56! (180deg=-12!) USER MOD Single : A 52 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.74) USER MOD Single : A 54 GLN : amide:sc= -0.0285 X(o=-0.029,f=-0.21) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -125:sc= -1.77 (180deg=-3.14!) USER MOD Single : A 65 SER OG : rot 22:sc= 0.731 USER MOD Single : A 70 THR OG1 : rot 41:sc= -0.013 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 157:sc= 0.606 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 83 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 87 THR OG1 : rot -37:sc= 0.717 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 142:sc= 1.27 USER MOD Single : A 96 ASN : amide:sc= -1.73! C(o=-1.7!,f=-8.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -38:sc= 0.169 USER MOD Single : A 102 THR OG1 : rot -47:sc= -0.305 USER MOD Single : A 103 ASN : amide:sc= -0.129 K(o=-0.13,f=-3.2!) USER MOD Single : A 107 LYS NZ :NH3+ -115:sc= 1.21 (180deg=0.00369) USER MOD Single : A 111 SER OG : rot -130:sc= 1.49 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.04 F(o=-2.5!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -18.507 36.463 13.966 1.00 0.00 N ATOM 2 CA GLY A 17 -18.877 35.080 13.585 1.00 0.00 C ATOM 3 C GLY A 17 -19.125 34.956 12.099 1.00 0.00 C ATOM 4 O GLY A 17 -18.182 34.812 11.319 1.00 0.00 O ATOM 0 HA2 GLY A 17 -18.081 34.396 13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.772 34.780 14.130 1.00 0.00 H new ATOM 10 N SER A 18 -20.397 35.016 11.710 1.00 0.00 N ATOM 11 CA SER A 18 -20.796 34.977 10.303 1.00 0.00 C ATOM 12 C SER A 18 -20.384 33.663 9.625 1.00 0.00 C ATOM 13 O SER A 18 -19.901 32.733 10.278 1.00 0.00 O ATOM 14 CB SER A 18 -20.199 36.175 9.552 1.00 0.00 C ATOM 15 OG SER A 18 -20.575 37.402 10.163 1.00 0.00 O ATOM 0 H SER A 18 -21.180 35.093 12.360 1.00 0.00 H new ATOM 0 HA SER A 18 -21.884 35.034 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 18 -19.112 36.092 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 18 -20.536 36.163 8.516 1.00 0.00 H new ATOM 0 HG SER A 18 -20.180 38.149 9.666 1.00 0.00 H new ATOM 21 N HIS A 19 -20.624 33.588 8.315 1.00 0.00 N ATOM 22 CA HIS A 19 -20.256 32.428 7.504 1.00 0.00 C ATOM 23 C HIS A 19 -20.971 31.168 7.982 1.00 0.00 C ATOM 24 O HIS A 19 -20.454 30.058 7.852 1.00 0.00 O ATOM 25 CB HIS A 19 -18.736 32.207 7.508 1.00 0.00 C ATOM 26 CG HIS A 19 -17.970 33.227 6.721 1.00 0.00 C ATOM 27 ND1 HIS A 19 -16.605 33.167 6.544 1.00 0.00 N ATOM 28 CD2 HIS A 19 -18.381 34.339 6.066 1.00 0.00 C ATOM 29 CE1 HIS A 19 -16.210 34.198 5.819 1.00 0.00 C ATOM 30 NE2 HIS A 19 -17.269 34.922 5.515 1.00 0.00 N ATOM 0 H HIS A 19 -21.080 34.332 7.786 1.00 0.00 H new ATOM 0 HA HIS A 19 -20.572 32.635 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -18.381 32.216 8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -18.522 31.217 7.106 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -19.396 34.700 5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -15.193 34.412 5.525 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -17.262 35.778 4.960 1.00 0.00 H new ATOM 39 N MET A 20 -22.169 31.346 8.520 1.00 0.00 N ATOM 40 CA MET A 20 -22.943 30.225 9.037 1.00 0.00 C ATOM 41 C MET A 20 -23.924 29.719 7.985 1.00 0.00 C ATOM 42 O MET A 20 -24.973 29.158 8.310 1.00 0.00 O ATOM 43 CB MET A 20 -23.690 30.618 10.319 1.00 0.00 C ATOM 44 CG MET A 20 -24.701 31.739 10.135 1.00 0.00 C ATOM 45 SD MET A 20 -25.529 32.181 11.673 1.00 0.00 S ATOM 46 CE MET A 20 -24.126 32.641 12.686 1.00 0.00 C ATOM 0 H MET A 20 -22.626 32.253 8.610 1.00 0.00 H new ATOM 0 HA MET A 20 -22.249 29.421 9.280 1.00 0.00 H new ATOM 0 HB2 MET A 20 -24.205 29.740 10.709 1.00 0.00 H new ATOM 0 HB3 MET A 20 -22.962 30.921 11.072 1.00 0.00 H new ATOM 0 HG2 MET A 20 -24.196 32.617 9.733 1.00 0.00 H new ATOM 0 HG3 MET A 20 -25.446 31.435 9.400 1.00 0.00 H new ATOM 0 HE1 MET A 20 -24.408 33.461 13.347 1.00 0.00 H new ATOM 0 HE2 MET A 20 -23.812 31.785 13.283 1.00 0.00 H new ATOM 0 HE3 MET A 20 -23.303 32.958 12.045 1.00 0.00 H new ATOM 56 N SER A 21 -23.574 29.917 6.724 1.00 0.00 N ATOM 57 CA SER A 21 -24.388 29.443 5.620 1.00 0.00 C ATOM 58 C SER A 21 -24.203 27.939 5.428 1.00 0.00 C ATOM 59 O SER A 21 -23.502 27.499 4.515 1.00 0.00 O ATOM 60 CB SER A 21 -24.017 30.193 4.340 1.00 0.00 C ATOM 61 OG SER A 21 -24.121 31.599 4.517 1.00 0.00 O ATOM 0 H SER A 21 -22.725 30.406 6.440 1.00 0.00 H new ATOM 0 HA SER A 21 -25.437 29.633 5.849 1.00 0.00 H new ATOM 0 HB2 SER A 21 -22.999 29.935 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 21 -24.672 29.877 3.528 1.00 0.00 H new ATOM 0 HG SER A 21 -23.876 32.053 3.683 1.00 0.00 H new ATOM 67 N THR A 22 -24.804 27.162 6.320 1.00 0.00 N ATOM 68 CA THR A 22 -24.781 25.714 6.224 1.00 0.00 C ATOM 69 C THR A 22 -25.491 25.259 4.950 1.00 0.00 C ATOM 70 O THR A 22 -26.717 25.340 4.846 1.00 0.00 O ATOM 71 CB THR A 22 -25.458 25.083 7.456 1.00 0.00 C ATOM 72 OG1 THR A 22 -24.860 25.601 8.653 1.00 0.00 O ATOM 73 CG2 THR A 22 -25.333 23.568 7.431 1.00 0.00 C ATOM 0 H THR A 22 -25.318 27.519 7.126 1.00 0.00 H new ATOM 0 HA THR A 22 -23.742 25.386 6.188 1.00 0.00 H new ATOM 0 HB THR A 22 -26.518 25.338 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 22 -25.293 25.200 9.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 -25.819 23.148 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 -25.811 23.178 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 22 -24.279 23.290 7.431 1.00 0.00 H new ATOM 81 N LEU A 23 -24.716 24.801 3.979 1.00 0.00 N ATOM 82 CA LEU A 23 -25.266 24.449 2.678 1.00 0.00 C ATOM 83 C LEU A 23 -25.272 22.941 2.472 1.00 0.00 C ATOM 84 O LEU A 23 -26.263 22.372 2.013 1.00 0.00 O ATOM 85 CB LEU A 23 -24.464 25.123 1.560 1.00 0.00 C ATOM 86 CG LEU A 23 -24.417 26.651 1.621 1.00 0.00 C ATOM 87 CD1 LEU A 23 -23.619 27.206 0.453 1.00 0.00 C ATOM 88 CD2 LEU A 23 -25.825 27.229 1.636 1.00 0.00 C ATOM 0 H LEU A 23 -23.709 24.665 4.066 1.00 0.00 H new ATOM 0 HA LEU A 23 -26.296 24.804 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -23.443 24.743 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -24.889 24.827 0.601 1.00 0.00 H new ATOM 0 HG LEU A 23 -23.919 26.945 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -23.596 28.294 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -22.601 26.819 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -24.087 26.904 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -25.771 28.317 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -26.352 26.928 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -26.362 26.857 2.509 1.00 0.00 H new ATOM 100 N GLU A 24 -24.174 22.296 2.831 1.00 0.00 N ATOM 101 CA GLU A 24 -24.016 20.871 2.583 1.00 0.00 C ATOM 102 C GLU A 24 -24.476 20.054 3.784 1.00 0.00 C ATOM 103 O GLU A 24 -24.053 20.297 4.916 1.00 0.00 O ATOM 104 CB GLU A 24 -22.558 20.550 2.247 1.00 0.00 C ATOM 105 CG GLU A 24 -22.041 21.319 1.042 1.00 0.00 C ATOM 106 CD GLU A 24 -20.595 21.011 0.721 1.00 0.00 C ATOM 107 OE1 GLU A 24 -19.703 21.504 1.442 1.00 0.00 O ATOM 108 OE2 GLU A 24 -20.338 20.295 -0.270 1.00 0.00 O ATOM 0 H GLU A 24 -23.379 22.736 3.295 1.00 0.00 H new ATOM 0 HA GLU A 24 -24.641 20.602 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -21.934 20.778 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -22.462 19.481 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -22.658 21.083 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -22.147 22.388 1.227 1.00 0.00 H new ATOM 115 N ARG A 25 -25.348 19.091 3.532 1.00 0.00 N ATOM 116 CA ARG A 25 -25.842 18.205 4.578 1.00 0.00 C ATOM 117 C ARG A 25 -24.887 17.023 4.758 1.00 0.00 C ATOM 118 O ARG A 25 -25.258 15.872 4.538 1.00 0.00 O ATOM 119 CB ARG A 25 -27.263 17.727 4.244 1.00 0.00 C ATOM 120 CG ARG A 25 -27.386 17.036 2.892 1.00 0.00 C ATOM 121 CD ARG A 25 -28.829 16.704 2.556 1.00 0.00 C ATOM 122 NE ARG A 25 -29.472 15.888 3.585 1.00 0.00 N ATOM 123 CZ ARG A 25 -30.010 14.692 3.358 1.00 0.00 C ATOM 124 NH1 ARG A 25 -29.910 14.125 2.159 1.00 0.00 N ATOM 125 NH2 ARG A 25 -30.638 14.061 4.341 1.00 0.00 N ATOM 0 H ARG A 25 -25.731 18.901 2.606 1.00 0.00 H new ATOM 0 HA ARG A 25 -25.886 18.753 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -27.596 17.040 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -27.937 18.583 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -26.971 17.680 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -26.794 16.121 2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -29.391 17.629 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -28.864 16.175 1.604 1.00 0.00 H new ATOM 0 HE ARG A 25 -29.511 16.258 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -29.419 14.607 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -30.325 13.208 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -30.706 14.493 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -31.053 13.144 4.175 1.00 0.00 H new ATOM 139 N VAL A 26 -23.658 17.353 5.176 1.00 0.00 N ATOM 140 CA VAL A 26 -22.529 16.412 5.291 1.00 0.00 C ATOM 141 C VAL A 26 -22.199 15.783 3.935 1.00 0.00 C ATOM 142 O VAL A 26 -22.902 15.997 2.946 1.00 0.00 O ATOM 143 CB VAL A 26 -22.725 15.306 6.377 1.00 0.00 C ATOM 144 CG1 VAL A 26 -23.378 15.875 7.626 1.00 0.00 C ATOM 145 CG2 VAL A 26 -23.494 14.094 5.861 1.00 0.00 C ATOM 0 H VAL A 26 -23.412 18.304 5.451 1.00 0.00 H new ATOM 0 HA VAL A 26 -21.684 17.013 5.627 1.00 0.00 H new ATOM 0 HB VAL A 26 -21.728 14.951 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.502 15.083 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.747 16.662 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.353 16.289 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -23.598 13.361 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -24.483 14.407 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -22.952 13.647 5.028 1.00 0.00 H new ATOM 155 N VAL A 27 -21.109 15.036 3.882 1.00 0.00 N ATOM 156 CA VAL A 27 -20.658 14.454 2.636 1.00 0.00 C ATOM 157 C VAL A 27 -20.151 13.033 2.883 1.00 0.00 C ATOM 158 O VAL A 27 -20.209 12.545 4.017 1.00 0.00 O ATOM 159 CB VAL A 27 -19.557 15.338 1.987 1.00 0.00 C ATOM 160 CG1 VAL A 27 -18.179 15.015 2.548 1.00 0.00 C ATOM 161 CG2 VAL A 27 -19.567 15.232 0.466 1.00 0.00 C ATOM 0 H VAL A 27 -20.523 14.820 4.688 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.496 14.406 1.940 1.00 0.00 H new ATOM 0 HB VAL A 27 -19.788 16.372 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -17.434 15.652 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -18.173 15.192 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -17.942 13.969 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -18.782 15.865 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -19.391 14.197 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -20.535 15.558 0.085 1.00 0.00 H new ATOM 171 N TYR A 28 -19.685 12.375 1.827 1.00 0.00 N ATOM 172 CA TYR A 28 -19.120 11.032 1.916 1.00 0.00 C ATOM 173 C TYR A 28 -18.083 10.931 3.034 1.00 0.00 C ATOM 174 O TYR A 28 -17.351 11.882 3.309 1.00 0.00 O ATOM 175 CB TYR A 28 -18.482 10.658 0.579 1.00 0.00 C ATOM 176 CG TYR A 28 -19.456 10.707 -0.573 1.00 0.00 C ATOM 177 CD1 TYR A 28 -20.337 9.661 -0.806 1.00 0.00 C ATOM 178 CD2 TYR A 28 -19.509 11.811 -1.415 1.00 0.00 C ATOM 179 CE1 TYR A 28 -21.243 9.712 -1.847 1.00 0.00 C ATOM 180 CE2 TYR A 28 -20.414 11.872 -2.453 1.00 0.00 C ATOM 181 CZ TYR A 28 -21.279 10.821 -2.666 1.00 0.00 C ATOM 182 OH TYR A 28 -22.191 10.882 -3.694 1.00 0.00 O ATOM 0 H TYR A 28 -19.688 12.759 0.882 1.00 0.00 H new ATOM 0 HA TYR A 28 -19.928 10.338 2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -17.653 11.336 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -18.063 9.654 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -20.314 8.793 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -18.830 12.635 -1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -21.920 8.888 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -20.445 12.739 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 28 -22.086 11.730 -4.175 1.00 0.00 H new ATOM 192 N ARG A 29 -18.033 9.770 3.665 1.00 0.00 N ATOM 193 CA ARG A 29 -17.153 9.536 4.794 1.00 0.00 C ATOM 194 C ARG A 29 -15.711 9.384 4.329 1.00 0.00 C ATOM 195 O ARG A 29 -15.384 8.470 3.573 1.00 0.00 O ATOM 196 CB ARG A 29 -17.603 8.284 5.546 1.00 0.00 C ATOM 197 CG ARG A 29 -16.669 7.870 6.668 1.00 0.00 C ATOM 198 CD ARG A 29 -17.138 6.586 7.320 1.00 0.00 C ATOM 199 NE ARG A 29 -16.158 6.064 8.264 1.00 0.00 N ATOM 200 CZ ARG A 29 -16.092 4.788 8.628 1.00 0.00 C ATOM 201 NH1 ARG A 29 -16.884 3.893 8.052 1.00 0.00 N ATOM 202 NH2 ARG A 29 -15.215 4.402 9.542 1.00 0.00 N ATOM 0 H ARG A 29 -18.602 8.964 3.408 1.00 0.00 H new ATOM 0 HA ARG A 29 -17.205 10.394 5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -18.596 8.458 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -17.692 7.460 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.661 7.735 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.617 8.663 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.080 6.765 7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -17.334 5.839 6.551 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.485 6.715 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.543 4.185 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.834 2.913 8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.588 5.085 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.166 3.422 9.820 1.00 0.00 H new ATOM 216 N PRO A 30 -14.845 10.303 4.771 1.00 0.00 N ATOM 217 CA PRO A 30 -13.419 10.300 4.443 1.00 0.00 C ATOM 218 C PRO A 30 -12.735 8.967 4.736 1.00 0.00 C ATOM 219 O PRO A 30 -12.923 8.376 5.802 1.00 0.00 O ATOM 220 CB PRO A 30 -12.845 11.380 5.356 1.00 0.00 C ATOM 221 CG PRO A 30 -13.979 12.288 5.646 1.00 0.00 C ATOM 222 CD PRO A 30 -15.209 11.443 5.624 1.00 0.00 C ATOM 0 HA PRO A 30 -13.261 10.472 3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.443 10.948 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.028 11.913 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.854 12.768 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.040 13.083 4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.487 11.118 6.626 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.061 11.989 5.218 1.00 0.00 H new ATOM 230 N ASP A 31 -11.950 8.502 3.777 1.00 0.00 N ATOM 231 CA ASP A 31 -11.106 7.340 3.958 1.00 0.00 C ATOM 232 C ASP A 31 -9.664 7.823 3.921 1.00 0.00 C ATOM 233 O ASP A 31 -9.253 8.630 4.753 1.00 0.00 O ATOM 234 CB ASP A 31 -11.401 6.299 2.860 1.00 0.00 C ATOM 235 CG ASP A 31 -10.619 5.003 3.012 1.00 0.00 C ATOM 236 OD1 ASP A 31 -10.978 4.178 3.874 1.00 0.00 O ATOM 237 OD2 ASP A 31 -9.652 4.803 2.242 1.00 0.00 O ATOM 0 H ASP A 31 -11.883 8.923 2.851 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.298 6.848 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.467 6.071 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.174 6.737 1.888 1.00 0.00 H new ATOM 242 N ILE A 32 -8.910 7.351 2.962 1.00 0.00 N ATOM 243 CA ILE A 32 -7.590 7.878 2.698 1.00 0.00 C ATOM 244 C ILE A 32 -7.631 8.862 1.540 1.00 0.00 C ATOM 245 O ILE A 32 -8.375 8.675 0.578 1.00 0.00 O ATOM 246 CB ILE A 32 -6.608 6.753 2.358 1.00 0.00 C ATOM 247 CG1 ILE A 32 -6.642 5.702 3.453 1.00 0.00 C ATOM 248 CG2 ILE A 32 -5.208 7.314 2.193 1.00 0.00 C ATOM 249 CD1 ILE A 32 -6.062 6.184 4.755 1.00 0.00 C ATOM 0 H ILE A 32 -9.190 6.592 2.341 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.253 8.387 3.601 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.900 6.288 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.673 5.389 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.091 4.822 3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.518 6.505 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.203 8.048 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.896 7.792 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.116 5.386 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.021 6.470 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.628 7.046 5.109 1.00 0.00 H new ATOM 261 N ASN A 33 -6.823 9.905 1.643 1.00 0.00 N ATOM 262 CA ASN A 33 -6.734 10.918 0.597 1.00 0.00 C ATOM 263 C ASN A 33 -5.852 10.415 -0.535 1.00 0.00 C ATOM 264 O ASN A 33 -5.943 10.875 -1.671 1.00 0.00 O ATOM 265 CB ASN A 33 -6.166 12.221 1.169 1.00 0.00 C ATOM 266 CG ASN A 33 -4.648 12.307 1.089 1.00 0.00 C ATOM 267 OD1 ASN A 33 -4.087 12.791 0.106 1.00 0.00 O ATOM 268 ND2 ASN A 33 -3.971 11.845 2.126 1.00 0.00 N ATOM 0 H ASN A 33 -6.215 10.075 2.444 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.733 11.114 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.599 13.064 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.473 12.316 2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.952 11.883 2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.468 11.450 2.925 1.00 0.00 H new ATOM 275 N GLN A 34 -4.993 9.465 -0.203 1.00 0.00 N ATOM 276 CA GLN A 34 -4.064 8.897 -1.158 1.00 0.00 C ATOM 277 C GLN A 34 -4.381 7.431 -1.413 1.00 0.00 C ATOM 278 O GLN A 34 -3.625 6.533 -1.039 1.00 0.00 O ATOM 279 CB GLN A 34 -2.628 9.063 -0.667 1.00 0.00 C ATOM 280 CG GLN A 34 -2.420 8.637 0.771 1.00 0.00 C ATOM 281 CD GLN A 34 -0.968 8.666 1.183 1.00 0.00 C ATOM 282 OE1 GLN A 34 -0.465 9.681 1.655 1.00 0.00 O ATOM 283 NE2 GLN A 34 -0.287 7.551 1.014 1.00 0.00 N ATOM 0 H GLN A 34 -4.922 9.069 0.734 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.169 9.433 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.965 8.481 -1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.337 10.108 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.993 9.293 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.812 7.629 0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.744 6.729 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.697 7.509 1.279 1.00 0.00 H new ATOM 292 N GLY A 35 -5.518 7.206 -2.039 1.00 0.00 N ATOM 293 CA GLY A 35 -5.935 5.863 -2.384 1.00 0.00 C ATOM 294 C GLY A 35 -5.279 5.367 -3.655 1.00 0.00 C ATOM 295 O GLY A 35 -4.128 5.716 -3.939 1.00 0.00 O ATOM 0 H GLY A 35 -6.171 7.938 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.691 5.187 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.018 5.841 -2.504 1.00 0.00 H new ATOM 299 N ASN A 36 -6.014 4.556 -4.419 1.00 0.00 N ATOM 300 CA ASN A 36 -5.533 3.964 -5.677 1.00 0.00 C ATOM 301 C ASN A 36 -4.506 2.866 -5.405 1.00 0.00 C ATOM 302 O ASN A 36 -4.595 1.768 -5.957 1.00 0.00 O ATOM 303 CB ASN A 36 -4.947 5.023 -6.622 1.00 0.00 C ATOM 304 CG ASN A 36 -4.585 4.460 -7.976 1.00 0.00 C ATOM 305 OD1 ASN A 36 -5.182 3.489 -8.444 1.00 0.00 O ATOM 306 ND2 ASN A 36 -3.614 5.076 -8.623 1.00 0.00 N ATOM 0 H ASN A 36 -6.969 4.287 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.396 3.521 -6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.669 5.829 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.059 5.460 -6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.331 4.752 -9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.146 5.877 -8.198 1.00 0.00 H new ATOM 313 N TYR A 37 -3.531 3.168 -4.563 1.00 0.00 N ATOM 314 CA TYR A 37 -2.563 2.191 -4.122 1.00 0.00 C ATOM 315 C TYR A 37 -2.843 1.813 -2.672 1.00 0.00 C ATOM 316 O TYR A 37 -3.880 2.184 -2.121 1.00 0.00 O ATOM 317 CB TYR A 37 -1.136 2.726 -4.301 1.00 0.00 C ATOM 318 CG TYR A 37 -0.945 4.167 -3.872 1.00 0.00 C ATOM 319 CD1 TYR A 37 -0.840 4.507 -2.532 1.00 0.00 C ATOM 320 CD2 TYR A 37 -0.858 5.184 -4.816 1.00 0.00 C ATOM 321 CE1 TYR A 37 -0.656 5.820 -2.139 1.00 0.00 C ATOM 322 CE2 TYR A 37 -0.670 6.498 -4.433 1.00 0.00 C ATOM 323 CZ TYR A 37 -0.571 6.813 -3.094 1.00 0.00 C ATOM 324 OH TYR A 37 -0.378 8.124 -2.711 1.00 0.00 O ATOM 0 H TYR A 37 -3.393 4.099 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.651 1.293 -4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.452 2.097 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.856 2.633 -5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.903 3.733 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.939 4.943 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.579 6.067 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.601 7.276 -5.179 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.340 8.695 -3.507 1.00 0.00 H new ATOM 334 N LEU A 38 -1.930 1.082 -2.061 1.00 0.00 N ATOM 335 CA LEU A 38 -2.134 0.594 -0.703 1.00 0.00 C ATOM 336 C LEU A 38 -1.621 1.599 0.317 1.00 0.00 C ATOM 337 O LEU A 38 -0.716 2.386 0.027 1.00 0.00 O ATOM 338 CB LEU A 38 -1.413 -0.736 -0.503 1.00 0.00 C ATOM 339 CG LEU A 38 -1.822 -1.504 0.749 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.861 -2.548 0.394 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.627 -2.139 1.430 1.00 0.00 C ATOM 0 H LEU A 38 -1.040 0.811 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.205 0.454 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.594 -1.366 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.340 -0.549 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.256 -0.798 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.150 -3.094 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.738 -2.059 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.444 -3.243 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.958 -2.677 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.144 -2.834 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.082 -1.363 1.719 1.00 0.00 H new ATOM 353 N THR A 39 -2.216 1.577 1.500 1.00 0.00 N ATOM 354 CA THR A 39 -1.772 2.414 2.598 1.00 0.00 C ATOM 355 C THR A 39 -1.516 1.585 3.855 1.00 0.00 C ATOM 356 O THR A 39 -1.614 0.358 3.833 1.00 0.00 O ATOM 357 CB THR A 39 -2.800 3.516 2.919 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.002 2.939 3.445 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.126 4.312 1.673 1.00 0.00 C ATOM 0 H THR A 39 -3.014 0.982 1.723 1.00 0.00 H new ATOM 0 HA THR A 39 -0.840 2.882 2.281 1.00 0.00 H new ATOM 0 HB THR A 39 -2.365 4.181 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.438 2.402 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.853 5.087 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.217 4.775 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.542 3.648 0.916 1.00 0.00 H new ATOM 367 N ALA A 40 -1.211 2.262 4.953 1.00 0.00 N ATOM 368 CA ALA A 40 -0.953 1.593 6.226 1.00 0.00 C ATOM 369 C ALA A 40 -2.217 0.936 6.750 1.00 0.00 C ATOM 370 O ALA A 40 -2.185 -0.163 7.303 1.00 0.00 O ATOM 371 CB ALA A 40 -0.422 2.582 7.248 1.00 0.00 C ATOM 0 H ALA A 40 -1.135 3.278 4.990 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.201 0.822 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.235 2.067 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.508 3.019 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.156 3.372 7.406 1.00 0.00 H new ATOM 377 N ASN A 41 -3.330 1.628 6.549 1.00 0.00 N ATOM 378 CA ASN A 41 -4.643 1.141 6.950 1.00 0.00 C ATOM 379 C ASN A 41 -4.901 -0.234 6.361 1.00 0.00 C ATOM 380 O ASN A 41 -5.448 -1.123 7.014 1.00 0.00 O ATOM 381 CB ASN A 41 -5.721 2.107 6.463 1.00 0.00 C ATOM 382 CG ASN A 41 -5.612 3.486 7.090 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.526 3.937 7.453 1.00 0.00 O ATOM 384 ND2 ASN A 41 -6.734 4.175 7.202 1.00 0.00 N ATOM 0 H ASN A 41 -3.348 2.545 6.102 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.671 1.073 8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.654 2.201 5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.703 1.689 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.718 5.114 7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.616 3.768 6.890 1.00 0.00 H new ATOM 391 N ASP A 42 -4.495 -0.387 5.115 1.00 0.00 N ATOM 392 CA ASP A 42 -4.648 -1.639 4.398 1.00 0.00 C ATOM 393 C ASP A 42 -3.652 -2.682 4.891 1.00 0.00 C ATOM 394 O ASP A 42 -3.953 -3.870 4.909 1.00 0.00 O ATOM 395 CB ASP A 42 -4.470 -1.418 2.902 1.00 0.00 C ATOM 396 CG ASP A 42 -5.369 -0.330 2.360 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.552 -0.616 2.080 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.889 0.813 2.207 1.00 0.00 O ATOM 0 H ASP A 42 -4.050 0.353 4.571 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.655 -2.011 4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.431 -1.159 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.676 -2.349 2.375 1.00 0.00 H new ATOM 403 N VAL A 43 -2.465 -2.240 5.290 1.00 0.00 N ATOM 404 CA VAL A 43 -1.474 -3.145 5.871 1.00 0.00 C ATOM 405 C VAL A 43 -2.026 -3.786 7.141 1.00 0.00 C ATOM 406 O VAL A 43 -1.800 -4.967 7.413 1.00 0.00 O ATOM 407 CB VAL A 43 -0.148 -2.421 6.197 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.790 -3.342 6.950 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.526 -1.948 4.934 1.00 0.00 C ATOM 0 H VAL A 43 -2.164 -1.268 5.224 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.265 -3.914 5.127 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.383 -1.559 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.718 -2.815 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.321 -3.656 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.007 -4.219 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.457 -1.441 5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.741 -2.804 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.132 -1.257 4.407 1.00 0.00 H new ATOM 419 N SER A 44 -2.769 -2.994 7.899 1.00 0.00 N ATOM 420 CA SER A 44 -3.427 -3.459 9.113 1.00 0.00 C ATOM 421 C SER A 44 -4.381 -4.620 8.814 1.00 0.00 C ATOM 422 O SER A 44 -4.703 -5.419 9.694 1.00 0.00 O ATOM 423 CB SER A 44 -4.182 -2.296 9.753 1.00 0.00 C ATOM 424 OG SER A 44 -4.771 -2.660 10.992 1.00 0.00 O ATOM 0 H SER A 44 -2.934 -2.009 7.690 1.00 0.00 H new ATOM 0 HA SER A 44 -2.670 -3.826 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.498 -1.462 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.958 -1.949 9.071 1.00 0.00 H new ATOM 0 HG SER A 44 -5.243 -1.888 11.369 1.00 0.00 H new ATOM 430 N LYS A 45 -4.815 -4.714 7.562 1.00 0.00 N ATOM 431 CA LYS A 45 -5.741 -5.755 7.139 1.00 0.00 C ATOM 432 C LYS A 45 -5.070 -7.124 7.091 1.00 0.00 C ATOM 433 O LYS A 45 -5.667 -8.126 7.492 1.00 0.00 O ATOM 434 CB LYS A 45 -6.323 -5.422 5.773 1.00 0.00 C ATOM 435 CG LYS A 45 -7.104 -4.121 5.749 1.00 0.00 C ATOM 436 CD LYS A 45 -7.540 -3.779 4.340 1.00 0.00 C ATOM 437 CE LYS A 45 -8.476 -4.836 3.795 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.636 -4.734 2.320 1.00 0.00 N ATOM 0 H LYS A 45 -4.537 -4.075 6.817 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.542 -5.797 7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.513 -5.364 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.977 -6.235 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.978 -4.205 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.489 -3.315 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.037 -2.809 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.666 -3.694 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.094 -5.824 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.451 -4.738 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.541 -5.163 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.625 -3.733 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.855 -5.235 1.851 1.00 0.00 H new ATOM 452 N ILE A 46 -3.832 -7.173 6.607 1.00 0.00 N ATOM 453 CA ILE A 46 -3.151 -8.438 6.425 1.00 0.00 C ATOM 454 C ILE A 46 -2.452 -8.917 7.679 1.00 0.00 C ATOM 455 O ILE A 46 -2.464 -8.263 8.721 1.00 0.00 O ATOM 456 CB ILE A 46 -2.123 -8.418 5.281 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.021 -7.379 5.500 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.821 -8.204 3.958 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.136 -7.574 4.547 1.00 0.00 C ATOM 0 H ILE A 46 -3.288 -6.353 6.337 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.953 -9.131 6.169 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.629 -9.390 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.434 -6.379 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.660 -7.443 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.084 -8.192 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.531 -9.013 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.353 -7.253 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.896 -6.816 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.567 -8.564 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.219 -7.483 3.520 1.00 0.00 H new ATOM 471 N ARG A 47 -1.838 -10.078 7.540 1.00 0.00 N ATOM 472 CA ARG A 47 -1.189 -10.764 8.641 1.00 0.00 C ATOM 473 C ARG A 47 -0.346 -11.900 8.101 1.00 0.00 C ATOM 474 O ARG A 47 -0.687 -12.513 7.088 1.00 0.00 O ATOM 475 CB ARG A 47 -2.225 -11.315 9.638 1.00 0.00 C ATOM 476 CG ARG A 47 -3.250 -12.255 9.008 1.00 0.00 C ATOM 477 CD ARG A 47 -4.409 -11.487 8.384 1.00 0.00 C ATOM 478 NE ARG A 47 -5.320 -12.350 7.632 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.490 -11.940 7.138 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.895 -10.692 7.333 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.250 -12.774 6.439 1.00 0.00 N ATOM 0 H ARG A 47 -1.776 -10.575 6.652 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.556 -10.050 9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.702 -11.844 10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.749 -10.479 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.765 -12.865 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.632 -12.938 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.965 -10.976 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.014 -10.717 7.721 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.045 -13.320 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.312 -10.043 7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.790 -10.381 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.941 -13.732 6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.144 -12.456 6.063 1.00 0.00 H new ATOM 495 N VAL A 48 0.752 -12.167 8.777 1.00 0.00 N ATOM 496 CA VAL A 48 1.659 -13.214 8.371 1.00 0.00 C ATOM 497 C VAL A 48 1.040 -14.569 8.660 1.00 0.00 C ATOM 498 O VAL A 48 0.337 -14.738 9.658 1.00 0.00 O ATOM 499 CB VAL A 48 2.991 -13.098 9.115 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.130 -13.600 8.253 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.232 -11.669 9.545 1.00 0.00 C ATOM 0 H VAL A 48 1.038 -11.666 9.618 1.00 0.00 H new ATOM 0 HA VAL A 48 1.844 -13.112 7.302 1.00 0.00 H new ATOM 0 HB VAL A 48 2.943 -13.721 10.008 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.068 -13.509 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.959 -14.646 7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.184 -13.007 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.183 -11.603 10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.259 -11.024 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.427 -11.347 10.206 1.00 0.00 H new ATOM 511 N GLY A 49 1.295 -15.526 7.792 1.00 0.00 N ATOM 512 CA GLY A 49 0.710 -16.838 7.945 1.00 0.00 C ATOM 513 C GLY A 49 -0.126 -17.224 6.748 1.00 0.00 C ATOM 514 O GLY A 49 -0.216 -18.399 6.398 1.00 0.00 O ATOM 0 H GLY A 49 1.900 -15.419 6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.501 -17.574 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.091 -16.857 8.842 1.00 0.00 H new ATOM 518 N MET A 50 -0.742 -16.234 6.109 1.00 0.00 N ATOM 519 CA MET A 50 -1.528 -16.500 4.917 1.00 0.00 C ATOM 520 C MET A 50 -0.651 -16.489 3.672 1.00 0.00 C ATOM 521 O MET A 50 0.542 -16.182 3.740 1.00 0.00 O ATOM 522 CB MET A 50 -2.704 -15.529 4.765 1.00 0.00 C ATOM 523 CG MET A 50 -2.360 -14.057 4.826 1.00 0.00 C ATOM 524 SD MET A 50 -3.833 -13.028 4.632 1.00 0.00 S ATOM 525 CE MET A 50 -3.122 -11.392 4.619 1.00 0.00 C ATOM 0 H MET A 50 -0.711 -15.255 6.394 1.00 0.00 H new ATOM 0 HA MET A 50 -1.951 -17.498 5.033 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.193 -15.728 3.812 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.431 -15.745 5.548 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.881 -13.833 5.779 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.641 -13.817 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.666 -10.753 5.314 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.076 -11.448 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.189 -10.974 3.614 1.00 0.00 H new ATOM 535 N THR A 51 -1.250 -16.819 2.542 1.00 0.00 N ATOM 536 CA THR A 51 -0.504 -17.032 1.314 1.00 0.00 C ATOM 537 C THR A 51 -0.423 -15.773 0.474 1.00 0.00 C ATOM 538 O THR A 51 -0.821 -14.686 0.905 1.00 0.00 O ATOM 539 CB THR A 51 -1.160 -18.108 0.445 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.370 -17.603 -0.118 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.473 -19.324 1.262 1.00 0.00 C ATOM 0 H THR A 51 -2.258 -16.946 2.449 1.00 0.00 H new ATOM 0 HA THR A 51 0.494 -17.340 1.625 1.00 0.00 H new ATOM 0 HB THR A 51 -0.465 -18.379 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.105 -18.222 0.077 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.939 -20.078 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.552 -19.725 1.686 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.156 -19.055 2.068 1.00 0.00 H new ATOM 549 N GLN A 52 0.074 -15.939 -0.741 1.00 0.00 N ATOM 550 CA GLN A 52 0.079 -14.878 -1.715 1.00 0.00 C ATOM 551 C GLN A 52 -1.343 -14.527 -2.133 1.00 0.00 C ATOM 552 O GLN A 52 -1.708 -13.357 -2.173 1.00 0.00 O ATOM 553 CB GLN A 52 0.877 -15.295 -2.941 1.00 0.00 C ATOM 554 CG GLN A 52 2.344 -15.567 -2.662 1.00 0.00 C ATOM 555 CD GLN A 52 3.091 -16.041 -3.890 1.00 0.00 C ATOM 556 OE1 GLN A 52 3.167 -17.239 -4.162 1.00 0.00 O ATOM 557 NE2 GLN A 52 3.642 -15.108 -4.643 1.00 0.00 N ATOM 0 H GLN A 52 0.482 -16.813 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 52 0.542 -14.002 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.427 -16.192 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.801 -14.511 -3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.813 -14.658 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.428 -16.319 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.556 -14.126 -4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.154 -15.369 -5.486 1.00 0.00 H new ATOM 566 N GLN A 53 -2.160 -15.542 -2.418 1.00 0.00 N ATOM 567 CA GLN A 53 -3.507 -15.296 -2.926 1.00 0.00 C ATOM 568 C GLN A 53 -4.357 -14.632 -1.869 1.00 0.00 C ATOM 569 O GLN A 53 -5.267 -13.861 -2.168 1.00 0.00 O ATOM 570 CB GLN A 53 -4.165 -16.579 -3.449 1.00 0.00 C ATOM 571 CG GLN A 53 -4.132 -17.796 -2.534 1.00 0.00 C ATOM 572 CD GLN A 53 -5.152 -17.794 -1.396 1.00 0.00 C ATOM 573 OE1 GLN A 53 -4.899 -18.374 -0.342 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.306 -17.172 -1.588 1.00 0.00 N ATOM 0 H GLN A 53 -1.917 -16.526 -2.308 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.423 -14.617 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.207 -16.356 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.682 -16.848 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.292 -18.688 -3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.134 -17.878 -2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.489 -16.699 -2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.011 -17.166 -0.851 1.00 0.00 H new ATOM 583 N GLN A 54 -4.031 -14.930 -0.636 1.00 0.00 N ATOM 584 CA GLN A 54 -4.666 -14.287 0.501 1.00 0.00 C ATOM 585 C GLN A 54 -4.369 -12.792 0.500 1.00 0.00 C ATOM 586 O GLN A 54 -5.283 -11.965 0.489 1.00 0.00 O ATOM 587 CB GLN A 54 -4.157 -14.887 1.803 1.00 0.00 C ATOM 588 CG GLN A 54 -4.350 -16.385 1.921 1.00 0.00 C ATOM 589 CD GLN A 54 -5.532 -16.763 2.781 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.546 -16.066 2.817 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.393 -17.853 3.514 1.00 0.00 N ATOM 0 H GLN A 54 -3.323 -15.620 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.741 -14.447 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.095 -14.661 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.665 -14.401 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.483 -16.808 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.447 -16.830 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.536 -18.402 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.143 -18.146 4.140 1.00 0.00 H new ATOM 600 N VAL A 55 -3.083 -12.456 0.498 1.00 0.00 N ATOM 601 CA VAL A 55 -2.653 -11.073 0.561 1.00 0.00 C ATOM 602 C VAL A 55 -3.024 -10.317 -0.705 1.00 0.00 C ATOM 603 O VAL A 55 -3.436 -9.169 -0.641 1.00 0.00 O ATOM 604 CB VAL A 55 -1.140 -10.975 0.788 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.686 -9.531 0.723 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.779 -11.576 2.122 1.00 0.00 C ATOM 0 H VAL A 55 -2.320 -13.131 0.453 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.171 -10.617 1.405 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.632 -11.531 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.391 -9.480 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.924 -9.119 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.197 -8.954 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.298 -11.502 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.296 -11.037 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.077 -12.624 2.141 1.00 0.00 H new ATOM 616 N ALA A 56 -2.902 -10.972 -1.848 1.00 0.00 N ATOM 617 CA ALA A 56 -3.248 -10.348 -3.117 1.00 0.00 C ATOM 618 C ALA A 56 -4.697 -9.911 -3.104 1.00 0.00 C ATOM 619 O ALA A 56 -5.070 -8.934 -3.740 1.00 0.00 O ATOM 620 CB ALA A 56 -3.004 -11.301 -4.275 1.00 0.00 C ATOM 0 H ALA A 56 -2.567 -11.932 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.611 -9.474 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.270 -10.811 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.951 -11.582 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.615 -12.194 -4.146 1.00 0.00 H new ATOM 626 N TYR A 57 -5.519 -10.656 -2.396 1.00 0.00 N ATOM 627 CA TYR A 57 -6.918 -10.318 -2.278 1.00 0.00 C ATOM 628 C TYR A 57 -7.152 -9.259 -1.200 1.00 0.00 C ATOM 629 O TYR A 57 -7.965 -8.351 -1.374 1.00 0.00 O ATOM 630 CB TYR A 57 -7.721 -11.581 -2.029 1.00 0.00 C ATOM 631 CG TYR A 57 -8.006 -12.328 -3.315 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.085 -12.316 -4.362 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.195 -13.022 -3.499 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.338 -12.973 -5.541 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.455 -13.685 -4.686 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.521 -13.657 -5.703 1.00 0.00 C ATOM 637 OH TYR A 57 -8.766 -14.319 -6.884 1.00 0.00 O ATOM 0 H TYR A 57 -5.241 -11.499 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.258 -9.874 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.175 -12.230 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.662 -11.324 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.155 -11.780 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.927 -13.045 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.610 -12.953 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.383 -14.221 -4.816 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.643 -14.753 -6.840 1.00 0.00 H new ATOM 647 N ALA A 58 -6.423 -9.374 -0.095 1.00 0.00 N ATOM 648 CA ALA A 58 -6.552 -8.442 1.024 1.00 0.00 C ATOM 649 C ALA A 58 -5.966 -7.073 0.694 1.00 0.00 C ATOM 650 O ALA A 58 -6.566 -6.035 0.984 1.00 0.00 O ATOM 651 CB ALA A 58 -5.859 -9.010 2.250 1.00 0.00 C ATOM 0 H ALA A 58 -5.731 -10.109 0.052 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.616 -8.311 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.958 -8.311 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.318 -9.961 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.803 -9.166 2.031 1.00 0.00 H new ATOM 657 N LEU A 59 -4.789 -7.092 0.096 1.00 0.00 N ATOM 658 CA LEU A 59 -4.025 -5.889 -0.186 1.00 0.00 C ATOM 659 C LEU A 59 -4.266 -5.398 -1.606 1.00 0.00 C ATOM 660 O LEU A 59 -3.909 -4.274 -1.961 1.00 0.00 O ATOM 661 CB LEU A 59 -2.539 -6.192 0.024 1.00 0.00 C ATOM 662 CG LEU A 59 -1.873 -5.419 1.147 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.822 -5.296 2.315 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.606 -6.125 1.563 1.00 0.00 C ATOM 0 H LEU A 59 -4.332 -7.951 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.347 -5.098 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.427 -7.258 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.007 -5.983 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.618 -4.417 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.339 -4.740 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.722 -4.769 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.091 -6.290 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.128 -5.569 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.846 -7.131 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.073 -6.186 0.712 1.00 0.00 H new ATOM 676 N GLY A 60 -4.886 -6.239 -2.414 1.00 0.00 N ATOM 677 CA GLY A 60 -5.043 -5.921 -3.814 1.00 0.00 C ATOM 678 C GLY A 60 -3.825 -6.346 -4.603 1.00 0.00 C ATOM 679 O GLY A 60 -2.697 -6.041 -4.217 1.00 0.00 O ATOM 0 H GLY A 60 -5.282 -7.134 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.929 -6.420 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.202 -4.849 -3.932 1.00 0.00 H new ATOM 683 N THR A 61 -4.045 -7.076 -5.685 1.00 0.00 N ATOM 684 CA THR A 61 -2.955 -7.584 -6.491 1.00 0.00 C ATOM 685 C THR A 61 -2.032 -6.456 -6.950 1.00 0.00 C ATOM 686 O THR A 61 -2.480 -5.406 -7.408 1.00 0.00 O ATOM 687 CB THR A 61 -3.487 -8.377 -7.695 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.498 -7.622 -8.378 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.065 -9.707 -7.235 1.00 0.00 C ATOM 0 H THR A 61 -4.974 -7.329 -6.023 1.00 0.00 H new ATOM 0 HA THR A 61 -2.370 -8.261 -5.868 1.00 0.00 H new ATOM 0 HB THR A 61 -2.659 -8.565 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.829 -8.136 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.439 -10.259 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.288 -10.290 -6.740 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.883 -9.526 -6.538 1.00 0.00 H new ATOM 697 N PRO A 62 -0.720 -6.678 -6.802 1.00 0.00 N ATOM 698 CA PRO A 62 0.309 -5.654 -7.014 1.00 0.00 C ATOM 699 C PRO A 62 0.370 -5.146 -8.450 1.00 0.00 C ATOM 700 O PRO A 62 -0.181 -5.745 -9.372 1.00 0.00 O ATOM 701 CB PRO A 62 1.612 -6.382 -6.659 1.00 0.00 C ATOM 702 CG PRO A 62 1.191 -7.556 -5.846 1.00 0.00 C ATOM 703 CD PRO A 62 -0.134 -7.964 -6.408 1.00 0.00 C ATOM 0 HA PRO A 62 0.110 -4.766 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.146 -6.695 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.285 -5.734 -6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.916 -8.366 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.108 -7.296 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.024 -8.638 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.747 -8.480 -5.669 1.00 0.00 H new ATOM 711 N LEU A 63 1.096 -4.038 -8.595 1.00 0.00 N ATOM 712 CA LEU A 63 1.153 -3.232 -9.815 1.00 0.00 C ATOM 713 C LEU A 63 1.528 -4.060 -11.029 1.00 0.00 C ATOM 714 O LEU A 63 1.074 -3.784 -12.137 1.00 0.00 O ATOM 715 CB LEU A 63 2.188 -2.130 -9.624 1.00 0.00 C ATOM 716 CG LEU A 63 2.124 -1.425 -8.272 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.519 -1.036 -7.832 1.00 0.00 C ATOM 718 CD2 LEU A 63 1.217 -0.206 -8.348 1.00 0.00 C ATOM 0 H LEU A 63 1.678 -3.665 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 63 0.162 -2.815 -9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.183 -2.558 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.059 -1.388 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 63 1.703 -2.108 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.469 -0.533 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.135 -1.931 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.959 -0.364 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.184 0.284 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.605 0.490 -9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.212 -0.518 -8.632 1.00 0.00 H new ATOM 730 N MET A 64 2.364 -5.071 -10.802 1.00 0.00 N ATOM 731 CA MET A 64 2.768 -6.012 -11.850 1.00 0.00 C ATOM 732 C MET A 64 1.587 -6.827 -12.390 1.00 0.00 C ATOM 733 O MET A 64 1.779 -7.719 -13.218 1.00 0.00 O ATOM 734 CB MET A 64 3.850 -6.968 -11.331 1.00 0.00 C ATOM 735 CG MET A 64 3.622 -7.466 -9.908 1.00 0.00 C ATOM 736 SD MET A 64 4.358 -6.382 -8.675 1.00 0.00 S ATOM 737 CE MET A 64 4.767 -7.590 -7.422 1.00 0.00 C ATOM 0 H MET A 64 2.780 -5.262 -9.891 1.00 0.00 H new ATOM 0 HA MET A 64 3.166 -5.413 -12.669 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.908 -7.828 -11.999 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.815 -6.463 -11.376 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.551 -7.549 -9.722 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.042 -8.467 -9.805 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.316 -7.298 -6.474 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.385 -8.567 -7.720 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.850 -7.643 -7.308 1.00 0.00 H new ATOM 747 N SER A 65 0.379 -6.528 -11.898 1.00 0.00 N ATOM 748 CA SER A 65 -0.867 -7.184 -12.330 1.00 0.00 C ATOM 749 C SER A 65 -0.772 -8.706 -12.212 1.00 0.00 C ATOM 750 O SER A 65 -1.489 -9.450 -12.883 1.00 0.00 O ATOM 751 CB SER A 65 -1.268 -6.752 -13.756 1.00 0.00 C ATOM 752 OG SER A 65 -0.209 -6.902 -14.692 1.00 0.00 O ATOM 0 H SER A 65 0.234 -5.817 -11.181 1.00 0.00 H new ATOM 0 HA SER A 65 -1.657 -6.855 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.123 -7.343 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.588 -5.710 -13.739 1.00 0.00 H new ATOM 0 HG SER A 65 0.438 -7.555 -14.352 1.00 0.00 H new ATOM 758 N ASP A 66 0.103 -9.145 -11.322 1.00 0.00 N ATOM 759 CA ASP A 66 0.357 -10.555 -11.096 1.00 0.00 C ATOM 760 C ASP A 66 1.214 -10.720 -9.858 1.00 0.00 C ATOM 761 O ASP A 66 2.402 -10.400 -9.849 1.00 0.00 O ATOM 762 CB ASP A 66 1.027 -11.199 -12.312 1.00 0.00 C ATOM 763 CG ASP A 66 1.872 -12.407 -11.958 1.00 0.00 C ATOM 764 OD1 ASP A 66 1.338 -13.371 -11.370 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.083 -12.385 -12.258 1.00 0.00 O ATOM 0 H ASP A 66 0.660 -8.527 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.595 -11.063 -10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.259 -11.497 -13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.654 -10.458 -12.808 1.00 0.00 H new ATOM 770 N PRO A 67 0.588 -11.158 -8.777 1.00 0.00 N ATOM 771 CA PRO A 67 1.266 -11.378 -7.506 1.00 0.00 C ATOM 772 C PRO A 67 2.028 -12.703 -7.451 1.00 0.00 C ATOM 773 O PRO A 67 2.979 -12.847 -6.683 1.00 0.00 O ATOM 774 CB PRO A 67 0.104 -11.396 -6.511 1.00 0.00 C ATOM 775 CG PRO A 67 -1.057 -11.923 -7.291 1.00 0.00 C ATOM 776 CD PRO A 67 -0.857 -11.440 -8.705 1.00 0.00 C ATOM 0 HA PRO A 67 2.024 -10.619 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.326 -12.032 -5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.100 -10.398 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.093 -13.012 -7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.000 -11.558 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.154 -12.196 -9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.450 -10.549 -8.911 1.00 0.00 H new ATOM 784 N PHE A 68 1.625 -13.655 -8.284 1.00 0.00 N ATOM 785 CA PHE A 68 2.130 -15.016 -8.207 1.00 0.00 C ATOM 786 C PHE A 68 3.470 -15.181 -8.922 1.00 0.00 C ATOM 787 O PHE A 68 4.094 -16.239 -8.839 1.00 0.00 O ATOM 788 CB PHE A 68 1.101 -15.968 -8.811 1.00 0.00 C ATOM 789 CG PHE A 68 -0.263 -15.851 -8.194 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.407 -15.654 -6.832 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.401 -15.933 -8.979 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.660 -15.544 -6.261 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.657 -15.825 -8.415 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.787 -15.630 -7.052 1.00 0.00 C ATOM 0 H PHE A 68 0.943 -13.504 -9.027 1.00 0.00 H new ATOM 0 HA PHE A 68 2.296 -15.251 -7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.024 -15.775 -9.881 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.455 -16.992 -8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.471 -15.585 -6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.305 -16.083 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.757 -15.391 -5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.537 -15.893 -9.038 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.768 -15.545 -6.608 1.00 0.00 H new ATOM 804 N GLY A 69 3.915 -14.142 -9.615 1.00 0.00 N ATOM 805 CA GLY A 69 5.146 -14.240 -10.378 1.00 0.00 C ATOM 806 C GLY A 69 6.366 -13.909 -9.546 1.00 0.00 C ATOM 807 O GLY A 69 7.490 -14.283 -9.887 1.00 0.00 O ATOM 0 H GLY A 69 3.449 -13.236 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.244 -15.250 -10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.097 -13.564 -11.231 1.00 0.00 H new ATOM 811 N THR A 70 6.140 -13.198 -8.456 1.00 0.00 N ATOM 812 CA THR A 70 7.212 -12.792 -7.568 1.00 0.00 C ATOM 813 C THR A 70 6.919 -13.252 -6.142 1.00 0.00 C ATOM 814 O THR A 70 5.845 -13.786 -5.855 1.00 0.00 O ATOM 815 CB THR A 70 7.392 -11.260 -7.577 1.00 0.00 C ATOM 816 OG1 THR A 70 8.583 -10.889 -6.867 1.00 0.00 O ATOM 817 CG2 THR A 70 6.199 -10.591 -6.935 1.00 0.00 C ATOM 0 H THR A 70 5.213 -12.888 -8.163 1.00 0.00 H new ATOM 0 HA THR A 70 8.131 -13.257 -7.924 1.00 0.00 H new ATOM 0 HB THR A 70 7.478 -10.933 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.303 -11.518 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.338 -9.510 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.296 -10.847 -7.489 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.101 -10.933 -5.905 1.00 0.00 H new ATOM 825 N ASN A 71 7.877 -13.034 -5.261 1.00 0.00 N ATOM 826 CA ASN A 71 7.721 -13.333 -3.844 1.00 0.00 C ATOM 827 C ASN A 71 8.118 -12.115 -3.025 1.00 0.00 C ATOM 828 O ASN A 71 8.339 -12.204 -1.815 1.00 0.00 O ATOM 829 CB ASN A 71 8.570 -14.544 -3.441 1.00 0.00 C ATOM 830 CG ASN A 71 8.067 -15.843 -4.046 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.193 -16.533 -3.330 1.00 0.00 O flip ATOM 832 ND2 ASN A 71 8.473 -16.235 -5.139 1.00 0.00 N flip ATOM 0 H ASN A 71 8.788 -12.644 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 71 6.677 -13.578 -3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.601 -14.379 -3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.576 -14.633 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.147 -15.677 -5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.136 -17.118 -5.521 1.00 0.00 H new ATOM 839 N THR A 72 8.232 -10.981 -3.708 1.00 0.00 N ATOM 840 CA THR A 72 8.557 -9.720 -3.078 1.00 0.00 C ATOM 841 C THR A 72 7.583 -8.643 -3.543 1.00 0.00 C ATOM 842 O THR A 72 7.601 -8.240 -4.705 1.00 0.00 O ATOM 843 CB THR A 72 9.989 -9.299 -3.434 1.00 0.00 C ATOM 844 OG1 THR A 72 10.882 -10.407 -3.242 1.00 0.00 O ATOM 845 CG2 THR A 72 10.428 -8.141 -2.568 1.00 0.00 C ATOM 0 H THR A 72 8.100 -10.917 -4.717 1.00 0.00 H new ATOM 0 HA THR A 72 8.479 -9.841 -1.998 1.00 0.00 H new ATOM 0 HB THR A 72 10.012 -8.988 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.795 -10.135 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.446 -7.854 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.760 -7.295 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.396 -8.438 -1.520 1.00 0.00 H new ATOM 853 N TRP A 73 6.719 -8.193 -2.647 1.00 0.00 N ATOM 854 CA TRP A 73 5.677 -7.241 -3.012 1.00 0.00 C ATOM 855 C TRP A 73 5.970 -5.867 -2.430 1.00 0.00 C ATOM 856 O TRP A 73 6.579 -5.758 -1.369 1.00 0.00 O ATOM 857 CB TRP A 73 4.313 -7.751 -2.539 1.00 0.00 C ATOM 858 CG TRP A 73 3.895 -9.026 -3.213 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.565 -9.693 -4.196 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.713 -9.785 -2.957 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.878 -10.823 -4.558 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.738 -10.902 -3.812 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.638 -9.632 -2.084 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.731 -11.858 -3.814 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.637 -10.580 -2.094 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.689 -11.680 -2.953 1.00 0.00 C ATOM 0 H TRP A 73 6.717 -8.469 -1.665 1.00 0.00 H new ATOM 0 HA TRP A 73 5.658 -7.146 -4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.345 -7.910 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.561 -6.985 -2.726 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.503 -9.376 -4.628 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.171 -11.494 -5.268 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.590 -8.787 -1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.772 -12.712 -4.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.203 -10.470 -1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.112 -12.404 -2.935 1.00 0.00 H new ATOM 877 N PHE A 74 5.538 -4.823 -3.134 1.00 0.00 N ATOM 878 CA PHE A 74 5.826 -3.450 -2.728 1.00 0.00 C ATOM 879 C PHE A 74 4.534 -2.647 -2.600 1.00 0.00 C ATOM 880 O PHE A 74 3.751 -2.561 -3.548 1.00 0.00 O ATOM 881 CB PHE A 74 6.746 -2.773 -3.754 1.00 0.00 C ATOM 882 CG PHE A 74 7.835 -3.665 -4.284 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.911 -4.026 -3.490 1.00 0.00 C ATOM 884 CD2 PHE A 74 7.771 -4.150 -5.582 1.00 0.00 C ATOM 885 CE1 PHE A 74 9.905 -4.853 -3.981 1.00 0.00 C ATOM 886 CE2 PHE A 74 8.762 -4.977 -6.077 1.00 0.00 C ATOM 887 CZ PHE A 74 9.828 -5.329 -5.277 1.00 0.00 C ATOM 0 H PHE A 74 4.987 -4.902 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 74 6.325 -3.480 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.142 -2.419 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.201 -1.895 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.975 -3.658 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.938 -3.878 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.740 -5.127 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.701 -5.347 -7.090 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.602 -5.976 -5.662 1.00 0.00 H new ATOM 897 N TYR A 75 4.304 -2.078 -1.425 1.00 0.00 N ATOM 898 CA TYR A 75 3.130 -1.243 -1.183 1.00 0.00 C ATOM 899 C TYR A 75 3.540 0.049 -0.478 1.00 0.00 C ATOM 900 O TYR A 75 4.696 0.202 -0.089 1.00 0.00 O ATOM 901 CB TYR A 75 2.113 -1.998 -0.332 1.00 0.00 C ATOM 902 CG TYR A 75 1.618 -3.283 -0.949 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.692 -3.277 -1.985 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.071 -4.500 -0.479 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.235 -4.458 -2.535 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.621 -5.690 -1.024 1.00 0.00 C ATOM 907 CZ TYR A 75 0.700 -5.660 -2.052 1.00 0.00 C ATOM 908 OH TYR A 75 0.241 -6.835 -2.600 1.00 0.00 O ATOM 0 H TYR A 75 4.919 -2.179 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 75 2.674 -0.995 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.562 -2.223 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.259 -1.347 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.325 -2.335 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.789 -4.524 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.484 -4.439 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.987 -6.634 -0.648 1.00 0.00 H new ATOM 0 HH TYR A 75 0.892 -7.549 -2.436 1.00 0.00 H new ATOM 918 N VAL A 76 2.591 0.967 -0.307 1.00 0.00 N ATOM 919 CA VAL A 76 2.882 2.283 0.265 1.00 0.00 C ATOM 920 C VAL A 76 2.199 2.423 1.629 1.00 0.00 C ATOM 921 O VAL A 76 1.322 1.630 1.968 1.00 0.00 O ATOM 922 CB VAL A 76 2.395 3.412 -0.678 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.019 4.750 -0.309 1.00 0.00 C ATOM 924 CG2 VAL A 76 2.691 3.070 -2.130 1.00 0.00 C ATOM 0 H VAL A 76 1.612 0.825 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 76 3.961 2.372 0.387 1.00 0.00 H new ATOM 0 HB VAL A 76 1.315 3.499 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.657 5.520 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.744 5.010 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.104 4.679 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.340 3.877 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.765 2.942 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.180 2.145 -2.397 1.00 0.00 H new ATOM 934 N PHE A 77 2.604 3.417 2.418 1.00 0.00 N ATOM 935 CA PHE A 77 2.026 3.609 3.739 1.00 0.00 C ATOM 936 C PHE A 77 1.067 4.790 3.755 1.00 0.00 C ATOM 937 O PHE A 77 1.086 5.625 2.852 1.00 0.00 O ATOM 938 CB PHE A 77 3.126 3.817 4.775 1.00 0.00 C ATOM 939 CG PHE A 77 2.983 2.904 5.948 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.784 1.558 5.740 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.033 3.383 7.245 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.637 0.694 6.801 1.00 0.00 C ATOM 943 CE2 PHE A 77 2.887 2.525 8.319 1.00 0.00 C ATOM 944 CZ PHE A 77 2.688 1.175 8.095 1.00 0.00 C ATOM 0 H PHE A 77 3.324 4.094 2.165 1.00 0.00 H new ATOM 0 HA PHE A 77 1.464 2.710 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.097 3.654 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.107 4.851 5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.743 1.175 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.188 4.437 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.482 -0.360 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.928 2.907 9.328 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.573 0.499 8.929 1.00 0.00 H new ATOM 954 N ARG A 78 0.251 4.858 4.802 1.00 0.00 N ATOM 955 CA ARG A 78 -0.737 5.927 4.954 1.00 0.00 C ATOM 956 C ARG A 78 -0.019 7.257 5.157 1.00 0.00 C ATOM 957 O ARG A 78 1.058 7.290 5.748 1.00 0.00 O ATOM 958 CB ARG A 78 -1.666 5.602 6.145 1.00 0.00 C ATOM 959 CG ARG A 78 -2.945 6.426 6.239 1.00 0.00 C ATOM 960 CD ARG A 78 -2.717 7.790 6.863 1.00 0.00 C ATOM 961 NE ARG A 78 -2.194 7.704 8.227 1.00 0.00 N ATOM 962 CZ ARG A 78 -2.652 8.433 9.244 1.00 0.00 C ATOM 963 NH1 ARG A 78 -3.730 9.194 9.087 1.00 0.00 N ATOM 964 NH2 ARG A 78 -2.055 8.366 10.428 1.00 0.00 N ATOM 0 H ARG A 78 0.253 4.181 5.565 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.349 6.004 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.939 4.548 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.102 5.737 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.365 6.553 5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.682 5.880 6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.020 8.356 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.656 8.343 6.872 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.435 7.048 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.209 9.221 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.079 9.751 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.247 7.757 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.404 8.923 11.208 1.00 0.00 H new ATOM 978 N GLN A 79 -0.621 8.322 4.622 1.00 0.00 N ATOM 979 CA GLN A 79 -0.107 9.698 4.719 1.00 0.00 C ATOM 980 C GLN A 79 0.651 9.978 6.021 1.00 0.00 C ATOM 981 O GLN A 79 0.049 10.177 7.080 1.00 0.00 O ATOM 982 CB GLN A 79 -1.281 10.663 4.581 1.00 0.00 C ATOM 983 CG GLN A 79 -0.930 12.129 4.788 1.00 0.00 C ATOM 984 CD GLN A 79 -2.154 13.020 4.735 1.00 0.00 C ATOM 985 OE1 GLN A 79 -3.259 12.599 5.089 1.00 0.00 O ATOM 986 NE2 GLN A 79 -1.970 14.253 4.294 1.00 0.00 N ATOM 0 H GLN A 79 -1.494 8.255 4.100 1.00 0.00 H new ATOM 0 HA GLN A 79 0.616 9.837 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.716 10.545 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.050 10.383 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.435 12.250 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.220 12.443 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.039 14.560 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.759 14.897 4.236 1.00 0.00 H new ATOM 995 N GLN A 80 1.976 9.972 5.922 1.00 0.00 N ATOM 996 CA GLN A 80 2.850 10.284 7.043 1.00 0.00 C ATOM 997 C GLN A 80 3.202 11.765 7.061 1.00 0.00 C ATOM 998 O GLN A 80 3.190 12.437 6.028 1.00 0.00 O ATOM 999 CB GLN A 80 4.126 9.460 6.932 1.00 0.00 C ATOM 1000 CG GLN A 80 3.887 7.961 6.890 1.00 0.00 C ATOM 1001 CD GLN A 80 3.484 7.400 8.243 1.00 0.00 C ATOM 1002 OE1 GLN A 80 2.835 8.073 9.041 1.00 0.00 O ATOM 1003 NE2 GLN A 80 3.883 6.173 8.524 1.00 0.00 N ATOM 0 H GLN A 80 2.473 9.750 5.060 1.00 0.00 H new ATOM 0 HA GLN A 80 2.328 10.042 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.662 9.758 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.772 9.692 7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.107 7.741 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.793 7.461 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.420 5.642 7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.654 5.756 9.426 1.00 0.00 H new ATOM 1012 N PRO A 81 3.518 12.273 8.254 1.00 0.00 N ATOM 1013 CA PRO A 81 3.884 13.672 8.480 1.00 0.00 C ATOM 1014 C PRO A 81 5.256 14.002 7.898 1.00 0.00 C ATOM 1015 O PRO A 81 6.288 13.623 8.458 1.00 0.00 O ATOM 1016 CB PRO A 81 3.905 13.802 10.014 1.00 0.00 C ATOM 1017 CG PRO A 81 3.295 12.541 10.539 1.00 0.00 C ATOM 1018 CD PRO A 81 3.542 11.497 9.489 1.00 0.00 C ATOM 0 HA PRO A 81 3.189 14.359 7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.924 13.926 10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.340 14.675 10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.747 12.254 11.489 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.228 12.669 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.499 10.996 9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.773 10.725 9.497 1.00 0.00 H new ATOM 1026 N GLY A 82 5.255 14.714 6.781 1.00 0.00 N ATOM 1027 CA GLY A 82 6.486 15.016 6.076 1.00 0.00 C ATOM 1028 C GLY A 82 7.398 15.945 6.849 1.00 0.00 C ATOM 1029 O GLY A 82 7.045 17.091 7.120 1.00 0.00 O ATOM 0 H GLY A 82 4.414 15.092 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.016 14.087 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.246 15.469 5.114 1.00 0.00 H new ATOM 1033 N HIS A 83 8.566 15.439 7.221 1.00 0.00 N ATOM 1034 CA HIS A 83 9.572 16.246 7.904 1.00 0.00 C ATOM 1035 C HIS A 83 10.915 16.149 7.190 1.00 0.00 C ATOM 1036 O HIS A 83 11.876 16.825 7.557 1.00 0.00 O ATOM 1037 CB HIS A 83 9.726 15.808 9.364 1.00 0.00 C ATOM 1038 CG HIS A 83 8.634 16.298 10.260 1.00 0.00 C ATOM 1039 ND1 HIS A 83 7.936 15.481 11.125 1.00 0.00 N ATOM 1040 CD2 HIS A 83 8.137 17.542 10.438 1.00 0.00 C ATOM 1041 CE1 HIS A 83 7.055 16.203 11.791 1.00 0.00 C ATOM 1042 NE2 HIS A 83 7.159 17.455 11.394 1.00 0.00 N ATOM 0 H HIS A 83 8.842 14.470 7.061 1.00 0.00 H new ATOM 0 HA HIS A 83 9.236 17.283 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.756 14.719 9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.683 16.168 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.452 18.438 9.923 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.366 15.831 12.535 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.601 18.235 11.742 1.00 0.00 H new ATOM 1051 N GLU A 84 10.965 15.326 6.153 1.00 0.00 N ATOM 1052 CA GLU A 84 12.200 15.084 5.423 1.00 0.00 C ATOM 1053 C GLU A 84 11.889 14.940 3.936 1.00 0.00 C ATOM 1054 O GLU A 84 10.726 15.054 3.542 1.00 0.00 O ATOM 1055 CB GLU A 84 12.880 13.821 5.955 1.00 0.00 C ATOM 1056 CG GLU A 84 14.362 13.757 5.634 1.00 0.00 C ATOM 1057 CD GLU A 84 15.053 12.566 6.258 1.00 0.00 C ATOM 1058 OE1 GLU A 84 15.450 12.659 7.442 1.00 0.00 O ATOM 1059 OE2 GLU A 84 15.219 11.537 5.570 1.00 0.00 O ATOM 0 H GLU A 84 10.159 14.812 5.797 1.00 0.00 H new ATOM 0 HA GLU A 84 12.879 15.925 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.747 13.773 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.386 12.946 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.492 13.719 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.843 14.672 5.981 1.00 0.00 H new ATOM 1066 N GLY A 85 12.920 14.709 3.123 1.00 0.00 N ATOM 1067 CA GLY A 85 12.720 14.477 1.703 1.00 0.00 C ATOM 1068 C GLY A 85 11.680 13.408 1.457 1.00 0.00 C ATOM 1069 O GLY A 85 10.693 13.633 0.755 1.00 0.00 O ATOM 0 H GLY A 85 13.894 14.679 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.410 15.405 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.664 14.180 1.245 1.00 0.00 H new ATOM 1073 N VAL A 86 11.894 12.246 2.047 1.00 0.00 N ATOM 1074 CA VAL A 86 10.887 11.207 2.052 1.00 0.00 C ATOM 1075 C VAL A 86 10.576 10.811 3.484 1.00 0.00 C ATOM 1076 O VAL A 86 11.461 10.765 4.334 1.00 0.00 O ATOM 1077 CB VAL A 86 11.317 9.959 1.271 1.00 0.00 C ATOM 1078 CG1 VAL A 86 10.176 8.955 1.196 1.00 0.00 C ATOM 1079 CG2 VAL A 86 11.800 10.335 -0.120 1.00 0.00 C ATOM 0 H VAL A 86 12.759 12.000 2.529 1.00 0.00 H new ATOM 0 HA VAL A 86 10.004 11.615 1.559 1.00 0.00 H new ATOM 0 HB VAL A 86 12.147 9.492 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.500 8.077 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.886 8.658 2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.323 9.410 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.100 9.435 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.995 10.830 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.652 11.010 -0.039 1.00 0.00 H new ATOM 1089 N THR A 87 9.316 10.547 3.746 1.00 0.00 N ATOM 1090 CA THR A 87 8.884 10.153 5.073 1.00 0.00 C ATOM 1091 C THR A 87 7.952 8.948 5.007 1.00 0.00 C ATOM 1092 O THR A 87 7.398 8.515 6.019 1.00 0.00 O ATOM 1093 CB THR A 87 8.178 11.320 5.796 1.00 0.00 C ATOM 1094 OG1 THR A 87 7.882 10.965 7.152 1.00 0.00 O ATOM 1095 CG2 THR A 87 6.895 11.703 5.073 1.00 0.00 C ATOM 0 H THR A 87 8.567 10.598 3.056 1.00 0.00 H new ATOM 0 HA THR A 87 9.774 9.879 5.639 1.00 0.00 H new ATOM 0 HB THR A 87 8.852 12.176 5.793 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.623 10.021 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.413 12.527 5.599 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.130 12.011 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.222 10.846 5.048 1.00 0.00 H new ATOM 1103 N GLN A 88 7.775 8.412 3.809 1.00 0.00 N ATOM 1104 CA GLN A 88 6.965 7.237 3.614 1.00 0.00 C ATOM 1105 C GLN A 88 7.739 5.993 3.986 1.00 0.00 C ATOM 1106 O GLN A 88 8.939 6.041 4.257 1.00 0.00 O ATOM 1107 CB GLN A 88 6.542 7.133 2.159 1.00 0.00 C ATOM 1108 CG GLN A 88 5.404 8.054 1.770 1.00 0.00 C ATOM 1109 CD GLN A 88 4.029 7.439 1.908 1.00 0.00 C ATOM 1110 OE1 GLN A 88 3.122 7.746 1.138 1.00 0.00 O ATOM 1111 NE2 GLN A 88 3.849 6.606 2.905 1.00 0.00 N ATOM 0 H GLN A 88 8.190 8.783 2.954 1.00 0.00 H new ATOM 0 HA GLN A 88 6.085 7.321 4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.403 7.352 1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.248 6.104 1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.451 8.951 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.545 8.370 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.627 6.375 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.931 6.189 3.062 1.00 0.00 H new ATOM 1120 N GLN A 89 7.041 4.888 3.980 1.00 0.00 N ATOM 1121 CA GLN A 89 7.647 3.599 4.191 1.00 0.00 C ATOM 1122 C GLN A 89 6.885 2.555 3.400 1.00 0.00 C ATOM 1123 O GLN A 89 5.659 2.488 3.461 1.00 0.00 O ATOM 1124 CB GLN A 89 7.709 3.254 5.681 1.00 0.00 C ATOM 1125 CG GLN A 89 6.432 3.543 6.449 1.00 0.00 C ATOM 1126 CD GLN A 89 6.578 3.263 7.932 1.00 0.00 C ATOM 1127 OE1 GLN A 89 5.949 3.913 8.764 1.00 0.00 O ATOM 1128 NE2 GLN A 89 7.405 2.290 8.271 1.00 0.00 N ATOM 0 H GLN A 89 6.033 4.856 3.828 1.00 0.00 H new ATOM 0 HA GLN A 89 8.677 3.621 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.949 2.196 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.526 3.813 6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.151 4.586 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.622 2.936 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.909 1.774 7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.540 2.055 9.254 1.00 0.00 H new ATOM 1137 N THR A 90 7.613 1.789 2.617 1.00 0.00 N ATOM 1138 CA THR A 90 7.022 0.815 1.739 1.00 0.00 C ATOM 1139 C THR A 90 6.877 -0.534 2.409 1.00 0.00 C ATOM 1140 O THR A 90 7.744 -0.966 3.175 1.00 0.00 O ATOM 1141 CB THR A 90 7.877 0.671 0.482 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.266 0.621 0.838 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.627 1.834 -0.452 1.00 0.00 C ATOM 0 H THR A 90 8.631 1.827 2.574 1.00 0.00 H new ATOM 0 HA THR A 90 6.024 1.167 1.477 1.00 0.00 H new ATOM 0 HB THR A 90 7.606 -0.255 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.808 0.527 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.241 1.722 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.575 1.853 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.884 2.766 0.051 1.00 0.00 H new ATOM 1151 N LEU A 91 5.784 -1.202 2.104 1.00 0.00 N ATOM 1152 CA LEU A 91 5.552 -2.531 2.621 1.00 0.00 C ATOM 1153 C LEU A 91 6.133 -3.543 1.655 1.00 0.00 C ATOM 1154 O LEU A 91 5.641 -3.703 0.539 1.00 0.00 O ATOM 1155 CB LEU A 91 4.062 -2.808 2.804 1.00 0.00 C ATOM 1156 CG LEU A 91 3.756 -4.098 3.559 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.950 -3.898 5.044 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.353 -4.604 3.282 1.00 0.00 C ATOM 0 H LEU A 91 5.043 -0.845 1.501 1.00 0.00 H new ATOM 0 HA LEU A 91 6.033 -2.609 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.611 -1.972 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.589 -2.853 1.823 1.00 0.00 H new ATOM 0 HG LEU A 91 4.455 -4.854 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.728 -4.827 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.982 -3.609 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.280 -3.114 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.181 -5.524 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.627 -3.851 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.241 -4.801 2.216 1.00 0.00 H new ATOM 1170 N THR A 92 7.188 -4.198 2.080 1.00 0.00 N ATOM 1171 CA THR A 92 7.837 -5.203 1.271 1.00 0.00 C ATOM 1172 C THR A 92 7.454 -6.570 1.795 1.00 0.00 C ATOM 1173 O THR A 92 7.915 -6.993 2.850 1.00 0.00 O ATOM 1174 CB THR A 92 9.369 -5.046 1.295 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.723 -3.688 0.988 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.019 -5.988 0.294 1.00 0.00 C ATOM 0 H THR A 92 7.619 -4.050 2.992 1.00 0.00 H new ATOM 0 HA THR A 92 7.510 -5.085 0.238 1.00 0.00 H new ATOM 0 HB THR A 92 9.729 -5.298 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.698 -3.592 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.101 -5.862 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.766 -7.018 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.657 -5.760 -0.708 1.00 0.00 H new ATOM 1184 N LEU A 93 6.584 -7.248 1.090 1.00 0.00 N ATOM 1185 CA LEU A 93 6.066 -8.495 1.596 1.00 0.00 C ATOM 1186 C LEU A 93 6.962 -9.649 1.177 1.00 0.00 C ATOM 1187 O LEU A 93 7.232 -9.835 -0.011 1.00 0.00 O ATOM 1188 CB LEU A 93 4.634 -8.724 1.133 1.00 0.00 C ATOM 1189 CG LEU A 93 3.807 -9.484 2.132 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.669 -8.654 3.388 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.454 -9.823 1.574 1.00 0.00 C ATOM 0 H LEU A 93 6.224 -6.965 0.179 1.00 0.00 H new ATOM 0 HA LEU A 93 6.057 -8.442 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.163 -7.761 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.646 -9.270 0.190 1.00 0.00 H new ATOM 0 HG LEU A 93 4.308 -10.424 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.070 -9.197 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.657 -8.456 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.180 -7.710 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.880 -10.372 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.927 -8.905 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.572 -10.438 0.682 1.00 0.00 H new ATOM 1203 N THR A 94 7.430 -10.406 2.161 1.00 0.00 N ATOM 1204 CA THR A 94 8.351 -11.478 1.932 1.00 0.00 C ATOM 1205 C THR A 94 7.646 -12.834 2.018 1.00 0.00 C ATOM 1206 O THR A 94 7.053 -13.182 3.051 1.00 0.00 O ATOM 1207 CB THR A 94 9.474 -11.403 2.972 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.269 -10.225 2.769 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.328 -12.635 2.896 1.00 0.00 C ATOM 0 H THR A 94 7.172 -10.282 3.140 1.00 0.00 H new ATOM 0 HA THR A 94 8.767 -11.379 0.929 1.00 0.00 H new ATOM 0 HB THR A 94 9.029 -11.347 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.530 -9.853 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.123 -12.573 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.716 -13.515 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.766 -12.713 1.901 1.00 0.00 H new ATOM 1217 N PHE A 95 7.716 -13.583 0.922 1.00 0.00 N ATOM 1218 CA PHE A 95 7.101 -14.902 0.830 1.00 0.00 C ATOM 1219 C PHE A 95 8.161 -15.981 0.681 1.00 0.00 C ATOM 1220 O PHE A 95 9.132 -15.812 -0.057 1.00 0.00 O ATOM 1221 CB PHE A 95 6.151 -14.965 -0.366 1.00 0.00 C ATOM 1222 CG PHE A 95 4.871 -14.227 -0.164 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.847 -14.812 0.549 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.684 -12.960 -0.682 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.656 -14.157 0.746 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.491 -12.297 -0.490 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.476 -12.900 0.227 1.00 0.00 C ATOM 0 H PHE A 95 8.201 -13.292 0.073 1.00 0.00 H new ATOM 0 HA PHE A 95 6.541 -15.075 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.658 -14.559 -1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.926 -16.009 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.983 -15.802 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.477 -12.486 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.864 -14.630 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.350 -11.308 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.541 -12.382 0.379 1.00 0.00 H new ATOM 1237 N ASN A 96 7.970 -17.083 1.397 1.00 0.00 N ATOM 1238 CA ASN A 96 8.877 -18.228 1.314 1.00 0.00 C ATOM 1239 C ASN A 96 8.664 -19.018 0.021 1.00 0.00 C ATOM 1240 O ASN A 96 7.909 -18.592 -0.856 1.00 0.00 O ATOM 1241 CB ASN A 96 8.713 -19.140 2.537 1.00 0.00 C ATOM 1242 CG ASN A 96 7.304 -19.684 2.718 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.565 -19.898 1.754 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.921 -19.903 3.965 1.00 0.00 N ATOM 0 H ASN A 96 7.193 -17.211 2.045 1.00 0.00 H new ATOM 0 HA ASN A 96 9.896 -17.842 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.406 -19.977 2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.995 -18.585 3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.985 -20.261 4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.561 -19.714 4.736 1.00 0.00 H new ATOM 1251 N SER A 97 9.319 -20.175 -0.086 1.00 0.00 N ATOM 1252 CA SER A 97 9.253 -21.003 -1.289 1.00 0.00 C ATOM 1253 C SER A 97 7.814 -21.363 -1.671 1.00 0.00 C ATOM 1254 O SER A 97 7.466 -21.374 -2.854 1.00 0.00 O ATOM 1255 CB SER A 97 10.064 -22.286 -1.081 1.00 0.00 C ATOM 1256 OG SER A 97 11.413 -21.992 -0.757 1.00 0.00 O ATOM 0 H SER A 97 9.906 -20.562 0.653 1.00 0.00 H new ATOM 0 HA SER A 97 9.674 -20.419 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.616 -22.877 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.028 -22.893 -1.986 1.00 0.00 H new ATOM 0 HG SER A 97 11.908 -22.828 -0.628 1.00 0.00 H new ATOM 1262 N SER A 98 6.973 -21.624 -0.673 1.00 0.00 N ATOM 1263 CA SER A 98 5.627 -22.111 -0.926 1.00 0.00 C ATOM 1264 C SER A 98 4.673 -20.951 -1.213 1.00 0.00 C ATOM 1265 O SER A 98 3.505 -21.158 -1.548 1.00 0.00 O ATOM 1266 CB SER A 98 5.145 -22.933 0.278 1.00 0.00 C ATOM 1267 OG SER A 98 3.899 -23.564 0.027 1.00 0.00 O ATOM 0 H SER A 98 7.202 -21.506 0.314 1.00 0.00 H new ATOM 0 HA SER A 98 5.641 -22.751 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.891 -23.689 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.053 -22.282 1.148 1.00 0.00 H new ATOM 0 HG SER A 98 3.328 -22.964 -0.496 1.00 0.00 H new ATOM 1273 N GLY A 99 5.185 -19.732 -1.114 1.00 0.00 N ATOM 1274 CA GLY A 99 4.354 -18.565 -1.323 1.00 0.00 C ATOM 1275 C GLY A 99 3.542 -18.231 -0.091 1.00 0.00 C ATOM 1276 O GLY A 99 2.419 -17.727 -0.185 1.00 0.00 O ATOM 0 H GLY A 99 6.160 -19.531 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.981 -17.714 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.684 -18.741 -2.164 1.00 0.00 H new ATOM 1280 N VAL A 100 4.112 -18.526 1.064 1.00 0.00 N ATOM 1281 CA VAL A 100 3.466 -18.259 2.335 1.00 0.00 C ATOM 1282 C VAL A 100 4.151 -17.080 3.014 1.00 0.00 C ATOM 1283 O VAL A 100 5.372 -16.936 2.918 1.00 0.00 O ATOM 1284 CB VAL A 100 3.539 -19.495 3.255 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.622 -19.338 4.458 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.207 -20.757 2.475 1.00 0.00 C ATOM 0 H VAL A 100 5.033 -18.956 1.146 1.00 0.00 H new ATOM 0 HA VAL A 100 2.418 -18.024 2.150 1.00 0.00 H new ATOM 0 HB VAL A 100 4.559 -19.582 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.694 -20.224 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.920 -18.460 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.593 -19.217 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.263 -21.620 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.199 -20.678 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.920 -20.879 1.660 1.00 0.00 H new ATOM 1296 N LEU A 101 3.369 -16.223 3.663 1.00 0.00 N ATOM 1297 CA LEU A 101 3.908 -15.068 4.349 1.00 0.00 C ATOM 1298 C LEU A 101 4.836 -15.454 5.477 1.00 0.00 C ATOM 1299 O LEU A 101 4.460 -16.175 6.404 1.00 0.00 O ATOM 1300 CB LEU A 101 2.783 -14.202 4.887 1.00 0.00 C ATOM 1301 CG LEU A 101 2.447 -13.015 4.012 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.377 -12.166 4.663 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.692 -12.196 3.749 1.00 0.00 C ATOM 0 H LEU A 101 2.355 -16.313 3.725 1.00 0.00 H new ATOM 0 HA LEU A 101 4.489 -14.505 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.891 -14.816 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.057 -13.843 5.879 1.00 0.00 H new ATOM 0 HG LEU A 101 2.062 -13.377 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.146 -11.316 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.478 -12.764 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.735 -11.806 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.440 -11.344 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.100 -11.840 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.434 -12.814 3.244 1.00 0.00 H new ATOM 1315 N THR A 102 6.046 -14.953 5.385 1.00 0.00 N ATOM 1316 CA THR A 102 7.038 -15.150 6.422 1.00 0.00 C ATOM 1317 C THR A 102 7.286 -13.844 7.146 1.00 0.00 C ATOM 1318 O THR A 102 7.368 -13.801 8.377 1.00 0.00 O ATOM 1319 CB THR A 102 8.356 -15.672 5.828 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.028 -14.626 5.117 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.071 -16.795 4.864 1.00 0.00 C ATOM 0 H THR A 102 6.372 -14.399 4.593 1.00 0.00 H new ATOM 0 HA THR A 102 6.659 -15.892 7.125 1.00 0.00 H new ATOM 0 HB THR A 102 8.985 -16.026 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.392 -14.171 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.008 -17.162 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.566 -17.606 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.432 -16.431 4.059 1.00 0.00 H new ATOM 1329 N ASN A 103 7.367 -12.772 6.374 1.00 0.00 N ATOM 1330 CA ASN A 103 7.610 -11.451 6.937 1.00 0.00 C ATOM 1331 C ASN A 103 6.726 -10.410 6.293 1.00 0.00 C ATOM 1332 O ASN A 103 6.288 -10.556 5.150 1.00 0.00 O ATOM 1333 CB ASN A 103 9.054 -10.984 6.737 1.00 0.00 C ATOM 1334 CG ASN A 103 10.080 -11.645 7.642 1.00 0.00 C ATOM 1335 OD1 ASN A 103 9.938 -12.792 8.058 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.133 -10.906 7.948 1.00 0.00 N ATOM 0 H ASN A 103 7.269 -12.789 5.359 1.00 0.00 H new ATOM 0 HA ASN A 103 7.395 -11.550 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.337 -11.166 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.095 -9.906 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.864 -11.285 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.214 -9.957 7.582 1.00 0.00 H new ATOM 1343 N ILE A 104 6.490 -9.356 7.040 1.00 0.00 N ATOM 1344 CA ILE A 104 5.902 -8.147 6.502 1.00 0.00 C ATOM 1345 C ILE A 104 6.947 -7.054 6.666 1.00 0.00 C ATOM 1346 O ILE A 104 7.004 -6.397 7.711 1.00 0.00 O ATOM 1347 CB ILE A 104 4.625 -7.699 7.262 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.760 -8.887 7.718 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.809 -6.738 6.408 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.087 -9.665 6.612 1.00 0.00 C ATOM 0 H ILE A 104 6.699 -9.311 8.037 1.00 0.00 H new ATOM 0 HA ILE A 104 5.613 -8.331 5.467 1.00 0.00 H new ATOM 0 HB ILE A 104 4.955 -7.185 8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.386 -9.571 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.992 -8.515 8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.917 -6.433 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.410 -5.859 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.516 -7.233 5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.503 -10.479 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.428 -9.003 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.844 -10.075 5.943 1.00 0.00 H new ATOM 1362 N ASP A 105 7.777 -6.855 5.658 1.00 0.00 N ATOM 1363 CA ASP A 105 8.895 -5.943 5.788 1.00 0.00 C ATOM 1364 C ASP A 105 8.458 -4.520 5.529 1.00 0.00 C ATOM 1365 O ASP A 105 8.418 -4.068 4.389 1.00 0.00 O ATOM 1366 CB ASP A 105 10.020 -6.330 4.828 1.00 0.00 C ATOM 1367 CG ASP A 105 10.835 -7.505 5.321 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.768 -7.280 6.120 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.563 -8.650 4.904 1.00 0.00 O ATOM 0 H ASP A 105 7.698 -7.309 4.748 1.00 0.00 H new ATOM 0 HA ASP A 105 9.269 -6.011 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.593 -6.573 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.678 -5.473 4.683 1.00 0.00 H new ATOM 1374 N ASN A 106 8.143 -3.809 6.590 1.00 0.00 N ATOM 1375 CA ASN A 106 7.760 -2.419 6.469 1.00 0.00 C ATOM 1376 C ASN A 106 8.937 -1.539 6.834 1.00 0.00 C ATOM 1377 O ASN A 106 9.286 -1.375 8.005 1.00 0.00 O ATOM 1378 CB ASN A 106 6.536 -2.124 7.334 1.00 0.00 C ATOM 1379 CG ASN A 106 6.162 -0.653 7.366 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.434 0.097 6.429 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.508 -0.239 8.441 1.00 0.00 N ATOM 0 H ASN A 106 8.144 -4.169 7.544 1.00 0.00 H new ATOM 0 HA ASN A 106 7.481 -2.203 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.689 -2.699 6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.728 -2.465 8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.210 0.734 8.514 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.302 -0.893 9.196 1.00 0.00 H new ATOM 1388 N LYS A 107 9.557 -1.009 5.804 1.00 0.00 N ATOM 1389 CA LYS A 107 10.740 -0.182 5.940 1.00 0.00 C ATOM 1390 C LYS A 107 10.537 1.151 5.250 1.00 0.00 C ATOM 1391 O LYS A 107 9.725 1.272 4.338 1.00 0.00 O ATOM 1392 CB LYS A 107 11.953 -0.897 5.347 1.00 0.00 C ATOM 1393 CG LYS A 107 12.438 -2.046 6.200 1.00 0.00 C ATOM 1394 CD LYS A 107 12.752 -3.279 5.364 1.00 0.00 C ATOM 1395 CE LYS A 107 13.474 -4.338 6.183 1.00 0.00 C ATOM 1396 NZ LYS A 107 13.707 -5.591 5.412 1.00 0.00 N ATOM 0 H LYS A 107 9.254 -1.140 4.839 1.00 0.00 H new ATOM 0 HA LYS A 107 10.917 -0.003 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.698 -1.271 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.764 -0.180 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 107 13.330 -1.741 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.679 -2.294 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.827 -3.694 4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.368 -2.994 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.430 -3.941 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.889 -4.566 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.166 -6.368 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.398 -5.456 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.720 -5.825 5.428 1.00 0.00 H new ATOM 1410 N PRO A 108 11.297 2.155 5.681 1.00 0.00 N ATOM 1411 CA PRO A 108 11.164 3.518 5.187 1.00 0.00 C ATOM 1412 C PRO A 108 11.620 3.648 3.743 1.00 0.00 C ATOM 1413 O PRO A 108 12.546 2.959 3.308 1.00 0.00 O ATOM 1414 CB PRO A 108 12.056 4.348 6.109 1.00 0.00 C ATOM 1415 CG PRO A 108 12.940 3.388 6.840 1.00 0.00 C ATOM 1416 CD PRO A 108 12.366 2.006 6.673 1.00 0.00 C ATOM 0 HA PRO A 108 10.124 3.846 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.650 5.059 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.454 4.928 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.955 3.429 6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 108 12.997 3.652 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.125 1.302 6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 108 11.978 1.623 7.617 1.00 0.00 H new ATOM 1424 N ALA A 109 10.954 4.525 3.002 1.00 0.00 N ATOM 1425 CA ALA A 109 11.282 4.739 1.605 1.00 0.00 C ATOM 1426 C ALA A 109 12.603 5.464 1.463 1.00 0.00 C ATOM 1427 O ALA A 109 13.175 5.956 2.437 1.00 0.00 O ATOM 1428 CB ALA A 109 10.178 5.493 0.896 1.00 0.00 C ATOM 0 H ALA A 109 10.184 5.098 3.348 1.00 0.00 H new ATOM 0 HA ALA A 109 11.380 3.761 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.450 5.639 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.252 4.921 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.035 6.463 1.373 1.00 0.00 H new ATOM 1434 N LEU A 110 13.067 5.534 0.234 1.00 0.00 N ATOM 1435 CA LEU A 110 14.416 5.975 -0.055 1.00 0.00 C ATOM 1436 C LEU A 110 14.583 7.473 0.132 1.00 0.00 C ATOM 1437 O LEU A 110 14.253 8.266 -0.749 1.00 0.00 O ATOM 1438 CB LEU A 110 14.784 5.590 -1.475 1.00 0.00 C ATOM 1439 CG LEU A 110 14.273 4.217 -1.913 1.00 0.00 C ATOM 1440 CD1 LEU A 110 14.544 3.993 -3.387 1.00 0.00 C ATOM 1441 CD2 LEU A 110 14.934 3.116 -1.105 1.00 0.00 C ATOM 0 H LEU A 110 12.522 5.288 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 110 15.083 5.482 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.390 6.344 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 110 15.869 5.608 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 110 13.197 4.189 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 110 14.173 3.011 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 110 14.037 4.761 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 110 15.617 4.046 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.556 2.147 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 110 16.013 3.154 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.708 3.255 -0.048 1.00 0.00 H new ATOM 1453 N SER A 111 15.128 7.835 1.275 1.00 0.00 N ATOM 1454 CA SER A 111 15.384 9.221 1.611 1.00 0.00 C ATOM 1455 C SER A 111 16.875 9.404 1.888 1.00 0.00 C ATOM 1456 O SER A 111 17.317 10.443 2.379 1.00 0.00 O ATOM 1457 CB SER A 111 14.544 9.633 2.829 1.00 0.00 C ATOM 1458 OG SER A 111 14.582 11.037 3.053 1.00 0.00 O ATOM 0 H SER A 111 15.407 7.174 2.000 1.00 0.00 H new ATOM 0 HA SER A 111 15.100 9.861 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.511 9.318 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.911 9.115 3.715 1.00 0.00 H new ATOM 0 HG SER A 111 14.802 11.213 3.992 1.00 0.00 H new ATOM 1464 N GLY A 112 17.641 8.374 1.553 1.00 0.00 N ATOM 1465 CA GLY A 112 19.071 8.396 1.769 1.00 0.00 C ATOM 1466 C GLY A 112 19.634 7.007 1.937 1.00 0.00 C ATOM 1467 O GLY A 112 19.243 6.279 2.847 1.00 0.00 O ATOM 0 H GLY A 112 17.290 7.515 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 112 19.558 8.886 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 112 19.295 8.989 2.656 1.00 0.00 H new ATOM 1471 N ASN A 113 20.545 6.639 1.056 1.00 0.00 N ATOM 1472 CA ASN A 113 21.156 5.313 1.083 1.00 0.00 C ATOM 1473 C ASN A 113 22.660 5.420 0.887 1.00 0.00 C ATOM 1474 O ASN A 113 23.141 5.136 -0.232 1.00 0.00 O ATOM 1475 CB ASN A 113 20.567 4.408 -0.008 1.00 0.00 C ATOM 1476 CG ASN A 113 19.161 3.927 0.299 1.00 0.00 C ATOM 1477 OD1 ASN A 113 18.385 3.674 -0.742 1.00 0.00 O flip ATOM 1478 ND2 ASN A 113 18.781 3.755 1.457 1.00 0.00 N flip ATOM 1479 OXT ASN A 113 23.355 5.825 1.837 1.00 0.00 O ATOM 0 H ASN A 113 20.884 7.241 0.305 1.00 0.00 H new ATOM 0 HA ASN A 113 20.944 4.872 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 113 20.559 4.950 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 113 21.217 3.543 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 113 19.407 3.961 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 113 17.840 3.406 1.638 1.00 0.00 H new TER 1486 ASN A 113