USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1078 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 85 HIS : no HE2:sc= 0.224 K(o=1.1,f=-2.4!) USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0.923 K(o=1.1,f=-5!) USER MOD Set 2.1: A 50 GLN :FLIP amide:sc= 0.0499 F(o=-0.99,f=0.099) USER MOD Set 2.2: A 71 TYR OH : rot -81:sc= 0.0487 USER MOD Set 3.1: A 26 GLN : amide:sc= 0.593 K(o=1.2,f=0) USER MOD Set 3.2: A 104 GLN : amide:sc= 0.648 K(o=1.2,f=-0.69) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0599 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0603 (180deg=-0.413) USER MOD Single : A 8 MET CE :methyl -165:sc= -0.046 (180deg=-0.378) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.019 F(o=-1.1,f=-0.019) USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0.091) USER MOD Single : A 49 SER OG : rot 180:sc= -0.121 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.322 F(o=-1.9!,f=-0.32) USER MOD Single : A 67 THR OG1 : rot 126:sc= 1.27 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 80 SER OG : rot 21:sc= 0.754 USER MOD Single : A 90 HIS : +bothHN:sc= -1.05! C(o=-1.1!,f=-13!) USER MOD Single : A 95 HIS : no HD1:sc= -0.453 K(o=-0.45,f=-1.6) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 101 HIS : no HE2:sc= -0.589 K(o=-0.59,f=-6.9!) USER MOD Single : A 103 HIS : no HD1:sc= 0.555 K(o=0.55,f=-5.9!) USER MOD Single : A 109 CYS SG : rot 179:sc= -2.4! USER MOD Single : A 110 SER OG : rot 180:sc= -0.304 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -165:sc= -0.196 (180deg=-0.753) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.089 -17.154 -5.449 1.00 0.00 N ATOM 2 CA GLY A 1 -31.998 -17.044 -3.975 1.00 0.00 C ATOM 3 C GLY A 1 -31.133 -15.876 -3.553 1.00 0.00 C ATOM 4 O GLY A 1 -30.298 -15.413 -4.330 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.059 -16.934 -5.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.427 -16.483 -5.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.845 -18.122 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.998 -16.926 -3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.588 -17.967 -3.566 1.00 0.00 H new ATOM 10 N PRO A 2 -31.300 -15.382 -2.316 1.00 0.00 N ATOM 11 CA PRO A 2 -30.550 -14.223 -1.813 1.00 0.00 C ATOM 12 C PRO A 2 -29.107 -14.567 -1.447 1.00 0.00 C ATOM 13 O PRO A 2 -28.320 -13.691 -1.076 1.00 0.00 O ATOM 14 CB PRO A 2 -31.338 -13.818 -0.569 1.00 0.00 C ATOM 15 CG PRO A 2 -31.956 -15.082 -0.085 1.00 0.00 C ATOM 16 CD PRO A 2 -32.244 -15.908 -1.311 1.00 0.00 C ATOM 0 HA PRO A 2 -30.464 -13.435 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -30.686 -13.381 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -32.096 -13.072 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -31.283 -15.610 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -32.871 -14.879 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -32.081 -16.970 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.278 -15.796 -1.636 1.00 0.00 H new ATOM 24 N LEU A 3 -28.770 -15.845 -1.539 1.00 0.00 N ATOM 25 CA LEU A 3 -27.416 -16.299 -1.268 1.00 0.00 C ATOM 26 C LEU A 3 -26.638 -16.370 -2.578 1.00 0.00 C ATOM 27 O LEU A 3 -27.068 -17.016 -3.533 1.00 0.00 O ATOM 28 CB LEU A 3 -27.449 -17.668 -0.568 1.00 0.00 C ATOM 29 CG LEU A 3 -26.152 -18.118 0.129 1.00 0.00 C ATOM 30 CD1 LEU A 3 -25.099 -18.560 -0.879 1.00 0.00 C ATOM 31 CD2 LEU A 3 -25.611 -17.006 1.017 1.00 0.00 C ATOM 0 H LEU A 3 -29.419 -16.587 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 3 -26.917 -15.595 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -28.247 -17.652 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.718 -18.422 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 3 -26.392 -18.979 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -24.198 -18.871 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -25.483 -19.396 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -24.862 -17.730 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -24.694 -17.341 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -25.400 -16.126 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -26.352 -16.754 1.776 1.00 0.00 H new ATOM 43 N GLY A 4 -25.500 -15.697 -2.617 1.00 0.00 N ATOM 44 CA GLY A 4 -24.705 -15.648 -3.825 1.00 0.00 C ATOM 45 C GLY A 4 -24.232 -14.243 -4.122 1.00 0.00 C ATOM 46 O GLY A 4 -24.340 -13.764 -5.251 1.00 0.00 O ATOM 0 H GLY A 4 -25.110 -15.181 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.844 -16.308 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.293 -16.020 -4.664 1.00 0.00 H new ATOM 50 N SER A 5 -23.707 -13.581 -3.102 1.00 0.00 N ATOM 51 CA SER A 5 -23.246 -12.210 -3.235 1.00 0.00 C ATOM 52 C SER A 5 -21.768 -12.105 -2.876 1.00 0.00 C ATOM 53 O SER A 5 -21.341 -12.587 -1.824 1.00 0.00 O ATOM 54 CB SER A 5 -24.066 -11.285 -2.331 1.00 0.00 C ATOM 55 OG SER A 5 -25.453 -11.375 -2.625 1.00 0.00 O ATOM 0 H SER A 5 -23.590 -13.975 -2.169 1.00 0.00 H new ATOM 0 HA SER A 5 -23.378 -11.903 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.895 -11.548 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.731 -10.256 -2.460 1.00 0.00 H new ATOM 0 HG SER A 5 -25.953 -10.776 -2.032 1.00 0.00 H new ATOM 61 N MET A 6 -20.990 -11.497 -3.760 1.00 0.00 N ATOM 62 CA MET A 6 -19.578 -11.248 -3.501 1.00 0.00 C ATOM 63 C MET A 6 -19.075 -10.107 -4.384 1.00 0.00 C ATOM 64 O MET A 6 -18.724 -10.294 -5.550 1.00 0.00 O ATOM 65 CB MET A 6 -18.729 -12.522 -3.685 1.00 0.00 C ATOM 66 CG MET A 6 -18.725 -13.091 -5.094 1.00 0.00 C ATOM 67 SD MET A 6 -17.696 -14.568 -5.248 1.00 0.00 S ATOM 68 CE MET A 6 -17.765 -14.832 -7.018 1.00 0.00 C ATOM 0 H MET A 6 -21.315 -11.165 -4.668 1.00 0.00 H new ATOM 0 HA MET A 6 -19.472 -10.950 -2.458 1.00 0.00 H new ATOM 0 HB2 MET A 6 -17.702 -12.301 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 6 -19.096 -13.287 -3.001 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.747 -13.333 -5.386 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.367 -12.330 -5.787 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.176 -15.712 -7.278 1.00 0.00 H new ATOM 0 HE2 MET A 6 -18.800 -14.985 -7.323 1.00 0.00 H new ATOM 0 HE3 MET A 6 -17.360 -13.960 -7.532 1.00 0.00 H new ATOM 78 N LYS A 7 -19.097 -8.910 -3.830 1.00 0.00 N ATOM 79 CA LYS A 7 -18.619 -7.737 -4.539 1.00 0.00 C ATOM 80 C LYS A 7 -17.129 -7.553 -4.300 1.00 0.00 C ATOM 81 O LYS A 7 -16.582 -8.075 -3.326 1.00 0.00 O ATOM 82 CB LYS A 7 -19.387 -6.493 -4.093 1.00 0.00 C ATOM 83 CG LYS A 7 -20.851 -6.511 -4.494 1.00 0.00 C ATOM 84 CD LYS A 7 -21.581 -5.271 -4.009 1.00 0.00 C ATOM 85 CE LYS A 7 -22.988 -5.194 -4.581 1.00 0.00 C ATOM 86 NZ LYS A 7 -22.976 -5.056 -6.060 1.00 0.00 N ATOM 0 H LYS A 7 -19.442 -8.723 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.788 -7.881 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.316 -6.401 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.912 -5.610 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.930 -6.579 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.330 -7.400 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.630 -5.279 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.021 -4.381 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.542 -6.091 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.513 -4.346 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.895 -4.690 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -22.223 -4.396 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.802 -5.985 -6.494 1.00 0.00 H new ATOM 100 N MET A 8 -16.473 -6.820 -5.184 1.00 0.00 N ATOM 101 CA MET A 8 -15.050 -6.579 -5.041 1.00 0.00 C ATOM 102 C MET A 8 -14.781 -5.186 -4.499 1.00 0.00 C ATOM 103 O MET A 8 -15.425 -4.210 -4.889 1.00 0.00 O ATOM 104 CB MET A 8 -14.310 -6.785 -6.365 1.00 0.00 C ATOM 105 CG MET A 8 -14.159 -8.247 -6.753 1.00 0.00 C ATOM 106 SD MET A 8 -13.100 -8.482 -8.197 1.00 0.00 S ATOM 107 CE MET A 8 -14.006 -7.567 -9.443 1.00 0.00 C ATOM 0 H MET A 8 -16.900 -6.385 -6.002 1.00 0.00 H new ATOM 0 HA MET A 8 -14.671 -7.307 -4.324 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.845 -6.260 -7.157 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.321 -6.332 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.745 -8.801 -5.910 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.144 -8.667 -6.958 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.633 -7.833 -10.432 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.066 -7.813 -9.376 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.871 -6.498 -9.279 1.00 0.00 H new ATOM 117 N ILE A 9 -13.833 -5.124 -3.585 1.00 0.00 N ATOM 118 CA ILE A 9 -13.402 -3.886 -2.969 1.00 0.00 C ATOM 119 C ILE A 9 -11.979 -3.602 -3.415 1.00 0.00 C ATOM 120 O ILE A 9 -11.075 -4.383 -3.143 1.00 0.00 O ATOM 121 CB ILE A 9 -13.445 -4.003 -1.429 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.868 -4.313 -0.962 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.910 -2.754 -0.737 1.00 0.00 C ATOM 124 CD1 ILE A 9 -15.018 -4.341 0.543 1.00 0.00 C ATOM 0 H ILE A 9 -13.333 -5.945 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.068 -3.077 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.789 -4.826 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.547 -3.566 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.173 -5.278 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.962 -2.886 0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.874 -2.589 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.511 -1.892 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.053 -4.567 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.365 -5.107 0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.745 -3.369 0.954 1.00 0.00 H new ATOM 136 N GLU A 10 -11.778 -2.504 -4.102 1.00 0.00 N ATOM 137 CA GLU A 10 -10.471 -2.192 -4.645 1.00 0.00 C ATOM 138 C GLU A 10 -9.699 -1.338 -3.664 1.00 0.00 C ATOM 139 O GLU A 10 -10.171 -0.285 -3.242 1.00 0.00 O ATOM 140 CB GLU A 10 -10.594 -1.476 -5.989 1.00 0.00 C ATOM 141 CG GLU A 10 -11.060 -2.374 -7.122 1.00 0.00 C ATOM 142 CD GLU A 10 -9.931 -2.749 -8.060 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.091 -3.596 -7.693 1.00 0.00 O ATOM 144 OE2 GLU A 10 -9.868 -2.190 -9.172 1.00 0.00 O ATOM 0 H GLU A 10 -12.499 -1.810 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.932 -3.125 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.293 -0.646 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.627 -1.048 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.500 -3.280 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.844 -1.868 -7.685 1.00 0.00 H new ATOM 151 N VAL A 11 -8.519 -1.792 -3.297 1.00 0.00 N ATOM 152 CA VAL A 11 -7.695 -1.078 -2.349 1.00 0.00 C ATOM 153 C VAL A 11 -6.329 -0.833 -2.960 1.00 0.00 C ATOM 154 O VAL A 11 -5.692 -1.753 -3.473 1.00 0.00 O ATOM 155 CB VAL A 11 -7.546 -1.852 -1.017 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.504 -1.205 -0.117 1.00 0.00 C ATOM 157 CG2 VAL A 11 -8.882 -1.934 -0.298 1.00 0.00 C ATOM 0 H VAL A 11 -8.108 -2.659 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.181 -0.129 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.209 -2.861 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.422 -1.771 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.539 -1.198 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.803 -0.181 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.759 -2.481 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.243 -0.928 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.604 -2.452 -0.930 1.00 0.00 H new ATOM 167 N VAL A 12 -5.894 0.404 -2.936 1.00 0.00 N ATOM 168 CA VAL A 12 -4.604 0.759 -3.488 1.00 0.00 C ATOM 169 C VAL A 12 -3.618 1.057 -2.373 1.00 0.00 C ATOM 170 O VAL A 12 -3.912 1.834 -1.462 1.00 0.00 O ATOM 171 CB VAL A 12 -4.703 1.957 -4.453 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.243 1.508 -5.802 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.578 3.057 -3.866 1.00 0.00 C ATOM 0 H VAL A 12 -6.415 1.186 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.245 -0.095 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.701 2.362 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.307 2.365 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.575 0.761 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.235 1.075 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.632 3.891 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.580 2.668 -3.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.149 3.400 -2.925 1.00 0.00 H new ATOM 183 N ALA A 13 -2.460 0.424 -2.437 1.00 0.00 N ATOM 184 CA ALA A 13 -1.447 0.580 -1.418 1.00 0.00 C ATOM 185 C ALA A 13 -0.236 1.283 -1.999 1.00 0.00 C ATOM 186 O ALA A 13 0.339 0.836 -2.992 1.00 0.00 O ATOM 187 CB ALA A 13 -1.059 -0.776 -0.841 1.00 0.00 C ATOM 0 H ALA A 13 -2.200 -0.208 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.849 1.189 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.295 -0.640 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.937 -1.248 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.667 -1.411 -1.636 1.00 0.00 H new ATOM 193 N ALA A 14 0.140 2.382 -1.378 1.00 0.00 N ATOM 194 CA ALA A 14 1.245 3.185 -1.846 1.00 0.00 C ATOM 195 C ALA A 14 2.480 2.922 -1.012 1.00 0.00 C ATOM 196 O ALA A 14 2.535 3.256 0.174 1.00 0.00 O ATOM 197 CB ALA A 14 0.892 4.660 -1.789 1.00 0.00 C ATOM 0 H ALA A 14 -0.312 2.741 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 14 1.451 2.911 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.736 5.250 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.024 4.851 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.662 4.940 -0.761 1.00 0.00 H new ATOM 203 N ILE A 15 3.469 2.324 -1.641 1.00 0.00 N ATOM 204 CA ILE A 15 4.724 2.051 -0.988 1.00 0.00 C ATOM 205 C ILE A 15 5.679 3.199 -1.247 1.00 0.00 C ATOM 206 O ILE A 15 6.262 3.305 -2.332 1.00 0.00 O ATOM 207 CB ILE A 15 5.340 0.721 -1.484 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.460 -0.453 -1.044 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.762 0.549 -0.974 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.144 -1.800 -1.136 1.00 0.00 C ATOM 0 H ILE A 15 3.423 2.017 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 15 4.546 1.952 0.083 1.00 0.00 H new ATOM 0 HB ILE A 15 5.383 0.744 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.140 -0.289 -0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.560 -0.471 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.168 -0.394 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.379 1.373 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.760 0.545 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.457 -2.580 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.440 -1.988 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.028 -1.803 -0.499 1.00 0.00 H new ATOM 222 N ILE A 16 5.812 4.083 -0.268 1.00 0.00 N ATOM 223 CA ILE A 16 6.698 5.219 -0.401 1.00 0.00 C ATOM 224 C ILE A 16 8.101 4.745 -0.093 1.00 0.00 C ATOM 225 O ILE A 16 8.447 4.542 1.068 1.00 0.00 O ATOM 226 CB ILE A 16 6.336 6.359 0.578 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.818 6.459 0.792 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.893 7.688 0.076 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.093 7.277 -0.245 1.00 0.00 C ATOM 0 H ILE A 16 5.317 4.031 0.622 1.00 0.00 H new ATOM 0 HA ILE A 16 6.610 5.613 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 16 6.791 6.127 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.398 5.453 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.630 6.892 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.630 8.481 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.978 7.621 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.470 7.913 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.028 7.294 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.481 8.296 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.245 6.834 -1.229 1.00 0.00 H new ATOM 241 N GLU A 17 8.890 4.528 -1.120 1.00 0.00 N ATOM 242 CA GLU A 17 10.206 3.965 -0.935 1.00 0.00 C ATOM 243 C GLU A 17 11.246 4.893 -1.527 1.00 0.00 C ATOM 244 O GLU A 17 11.172 5.270 -2.697 1.00 0.00 O ATOM 245 CB GLU A 17 10.267 2.562 -1.550 1.00 0.00 C ATOM 246 CG GLU A 17 11.568 1.815 -1.297 1.00 0.00 C ATOM 247 CD GLU A 17 12.666 2.201 -2.264 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.447 2.076 -3.481 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.750 2.610 -1.808 1.00 0.00 O ATOM 0 H GLU A 17 8.644 4.732 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 17 10.420 3.864 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.441 1.970 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.114 2.644 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.902 2.012 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.386 0.743 -1.371 1.00 0.00 H new ATOM 256 N ARG A 18 12.189 5.281 -0.700 1.00 0.00 N ATOM 257 CA ARG A 18 13.239 6.182 -1.114 1.00 0.00 C ATOM 258 C ARG A 18 14.531 5.816 -0.396 1.00 0.00 C ATOM 259 O ARG A 18 14.510 5.494 0.794 1.00 0.00 O ATOM 260 CB ARG A 18 12.844 7.626 -0.798 1.00 0.00 C ATOM 261 CG ARG A 18 13.694 8.657 -1.519 1.00 0.00 C ATOM 262 CD ARG A 18 13.261 8.846 -2.969 1.00 0.00 C ATOM 263 NE ARG A 18 14.334 9.428 -3.771 1.00 0.00 N ATOM 264 CZ ARG A 18 14.223 9.754 -5.057 1.00 0.00 C ATOM 265 NH1 ARG A 18 13.075 9.575 -5.698 1.00 0.00 N ATOM 266 NH2 ARG A 18 15.268 10.256 -5.701 1.00 0.00 N ATOM 0 H ARG A 18 12.250 4.983 0.274 1.00 0.00 H new ATOM 0 HA ARG A 18 13.391 6.093 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.799 7.776 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.923 7.789 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.629 9.610 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.739 8.348 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.968 7.885 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.384 9.492 -3.008 1.00 0.00 H new ATOM 0 HE ARG A 18 15.230 9.596 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.271 9.186 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.996 9.827 -6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.152 10.391 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.187 10.507 -6.686 1.00 0.00 H new ATOM 280 N ASP A 19 15.637 5.835 -1.135 1.00 0.00 N ATOM 281 CA ASP A 19 16.969 5.520 -0.597 1.00 0.00 C ATOM 282 C ASP A 19 17.100 4.053 -0.208 1.00 0.00 C ATOM 283 O ASP A 19 18.143 3.629 0.289 1.00 0.00 O ATOM 284 CB ASP A 19 17.311 6.394 0.616 1.00 0.00 C ATOM 285 CG ASP A 19 17.463 7.859 0.259 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.580 8.259 -0.133 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.475 8.618 0.369 1.00 0.00 O ATOM 0 H ASP A 19 15.641 6.069 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 19 17.674 5.731 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.529 6.287 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.237 6.036 1.066 1.00 0.00 H new ATOM 292 N GLY A 20 16.063 3.272 -0.445 1.00 0.00 N ATOM 293 CA GLY A 20 16.091 1.883 -0.048 1.00 0.00 C ATOM 294 C GLY A 20 15.301 1.636 1.220 1.00 0.00 C ATOM 295 O GLY A 20 15.383 0.557 1.805 1.00 0.00 O ATOM 0 H GLY A 20 15.203 3.573 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.686 1.269 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.124 1.570 0.103 1.00 0.00 H new ATOM 299 N LYS A 21 14.547 2.636 1.661 1.00 0.00 N ATOM 300 CA LYS A 21 13.707 2.480 2.841 1.00 0.00 C ATOM 301 C LYS A 21 12.256 2.786 2.497 1.00 0.00 C ATOM 302 O LYS A 21 11.973 3.655 1.671 1.00 0.00 O ATOM 303 CB LYS A 21 14.179 3.375 3.993 1.00 0.00 C ATOM 304 CG LYS A 21 15.677 3.302 4.249 1.00 0.00 C ATOM 305 CD LYS A 21 15.970 3.128 5.731 1.00 0.00 C ATOM 306 CE LYS A 21 17.396 2.661 5.985 1.00 0.00 C ATOM 307 NZ LYS A 21 18.411 3.656 5.551 1.00 0.00 N ATOM 0 H LYS A 21 14.500 3.556 1.223 1.00 0.00 H new ATOM 0 HA LYS A 21 13.787 1.444 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.906 4.408 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.650 3.091 4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.105 2.470 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.156 4.210 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.802 4.074 6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.272 2.406 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.524 2.458 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.566 1.722 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.364 3.288 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.311 3.832 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.270 4.545 6.071 1.00 0.00 H new ATOM 321 N ILE A 22 11.350 2.061 3.131 1.00 0.00 N ATOM 322 CA ILE A 22 9.930 2.172 2.851 1.00 0.00 C ATOM 323 C ILE A 22 9.208 2.905 3.980 1.00 0.00 C ATOM 324 O ILE A 22 9.616 2.831 5.140 1.00 0.00 O ATOM 325 CB ILE A 22 9.302 0.772 2.667 1.00 0.00 C ATOM 326 CG1 ILE A 22 10.120 -0.047 1.666 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.853 0.879 2.209 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.580 -1.440 1.447 1.00 0.00 C ATOM 0 H ILE A 22 11.579 1.379 3.854 1.00 0.00 H new ATOM 0 HA ILE A 22 9.817 2.742 1.929 1.00 0.00 H new ATOM 0 HB ILE A 22 9.314 0.263 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.145 0.479 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.149 -0.116 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.435 -0.120 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.275 1.426 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.810 1.408 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.208 -1.964 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.581 -1.983 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.561 -1.379 1.064 1.00 0.00 H new ATOM 340 N LEU A 23 8.147 3.612 3.622 1.00 0.00 N ATOM 341 CA LEU A 23 7.329 4.340 4.577 1.00 0.00 C ATOM 342 C LEU A 23 6.265 3.417 5.177 1.00 0.00 C ATOM 343 O LEU A 23 5.430 2.861 4.462 1.00 0.00 O ATOM 344 CB LEU A 23 6.661 5.521 3.862 1.00 0.00 C ATOM 345 CG LEU A 23 6.268 6.728 4.725 1.00 0.00 C ATOM 346 CD1 LEU A 23 5.523 7.756 3.884 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.425 6.320 5.919 1.00 0.00 C ATOM 0 H LEU A 23 7.829 3.697 2.657 1.00 0.00 H new ATOM 0 HA LEU A 23 7.958 4.710 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.336 5.869 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.763 5.152 3.366 1.00 0.00 H new ATOM 0 HG LEU A 23 7.188 7.171 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.250 8.607 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.164 8.094 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.621 7.304 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.169 7.204 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.511 5.837 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.988 5.625 6.542 1.00 0.00 H new ATOM 359 N LEU A 24 6.316 3.266 6.488 1.00 0.00 N ATOM 360 CA LEU A 24 5.311 2.500 7.219 1.00 0.00 C ATOM 361 C LEU A 24 4.583 3.406 8.203 1.00 0.00 C ATOM 362 O LEU A 24 5.212 4.196 8.907 1.00 0.00 O ATOM 363 CB LEU A 24 5.935 1.315 7.970 1.00 0.00 C ATOM 364 CG LEU A 24 6.430 0.145 7.107 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.650 0.527 6.286 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.732 -1.061 7.982 1.00 0.00 C ATOM 0 H LEU A 24 7.047 3.666 7.076 1.00 0.00 H new ATOM 0 HA LEU A 24 4.604 2.101 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.775 1.686 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.198 0.931 8.676 1.00 0.00 H new ATOM 0 HG LEU A 24 5.634 -0.113 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.969 -0.328 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.399 1.357 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.458 0.826 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.082 -1.884 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.504 -0.801 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.827 -1.364 8.509 1.00 0.00 H new ATOM 378 N ALA A 25 3.263 3.303 8.236 1.00 0.00 N ATOM 379 CA ALA A 25 2.462 4.108 9.147 1.00 0.00 C ATOM 380 C ALA A 25 1.854 3.261 10.248 1.00 0.00 C ATOM 381 O ALA A 25 1.186 2.262 9.978 1.00 0.00 O ATOM 382 CB ALA A 25 1.354 4.820 8.401 1.00 0.00 C ATOM 0 H ALA A 25 2.724 2.671 7.644 1.00 0.00 H new ATOM 0 HA ALA A 25 3.130 4.843 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.768 5.416 9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.787 5.473 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.708 4.085 7.921 1.00 0.00 H new ATOM 388 N GLN A 26 2.084 3.657 11.488 1.00 0.00 N ATOM 389 CA GLN A 26 1.476 2.969 12.612 1.00 0.00 C ATOM 390 C GLN A 26 0.038 3.424 12.770 1.00 0.00 C ATOM 391 O GLN A 26 -0.285 4.579 12.480 1.00 0.00 O ATOM 392 CB GLN A 26 2.253 3.209 13.910 1.00 0.00 C ATOM 393 CG GLN A 26 1.747 2.373 15.079 1.00 0.00 C ATOM 394 CD GLN A 26 2.592 2.528 16.327 1.00 0.00 C ATOM 395 OE1 GLN A 26 3.568 1.808 16.519 1.00 0.00 O ATOM 396 NE2 GLN A 26 2.214 3.456 17.195 1.00 0.00 N ATOM 0 H GLN A 26 2.682 4.444 11.740 1.00 0.00 H new ATOM 0 HA GLN A 26 1.501 1.899 12.408 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.306 2.985 13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.190 4.265 14.173 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.720 2.658 15.305 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.729 1.323 14.787 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.397 4.035 16.999 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.740 3.591 18.058 1.00 0.00 H new ATOM 405 N ARG A 27 -0.804 2.488 13.193 1.00 0.00 N ATOM 406 CA ARG A 27 -2.231 2.722 13.430 1.00 0.00 C ATOM 407 C ARG A 27 -2.965 2.606 12.106 1.00 0.00 C ATOM 408 O ARG A 27 -2.856 3.480 11.249 1.00 0.00 O ATOM 409 CB ARG A 27 -2.479 4.081 14.122 1.00 0.00 C ATOM 410 CG ARG A 27 -3.916 4.342 14.576 1.00 0.00 C ATOM 411 CD ARG A 27 -4.825 4.738 13.423 1.00 0.00 C ATOM 412 NE ARG A 27 -6.058 5.375 13.883 1.00 0.00 N ATOM 413 CZ ARG A 27 -7.097 5.640 13.091 1.00 0.00 C ATOM 414 NH1 ARG A 27 -7.122 5.183 11.849 1.00 0.00 N ATOM 415 NH2 ARG A 27 -8.132 6.330 13.553 1.00 0.00 N ATOM 0 H ARG A 27 -0.514 1.529 13.385 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.617 1.968 14.116 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.825 4.150 14.991 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.184 4.876 13.437 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.311 3.446 15.056 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.919 5.133 15.326 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.292 5.420 12.760 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.072 3.853 12.838 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.127 5.632 14.868 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.344 4.626 11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.919 5.388 11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.135 6.660 14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.925 6.530 12.943 1.00 0.00 H new ATOM 429 N PRO A 28 -3.728 1.521 11.936 1.00 0.00 N ATOM 430 CA PRO A 28 -4.311 1.149 10.657 1.00 0.00 C ATOM 431 C PRO A 28 -5.642 1.845 10.410 1.00 0.00 C ATOM 432 O PRO A 28 -5.883 2.942 10.914 1.00 0.00 O ATOM 433 CB PRO A 28 -4.494 -0.357 10.826 1.00 0.00 C ATOM 434 CG PRO A 28 -4.850 -0.517 12.256 1.00 0.00 C ATOM 435 CD PRO A 28 -4.136 0.584 12.999 1.00 0.00 C ATOM 0 HA PRO A 28 -3.698 1.432 9.801 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.279 -0.739 10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.582 -0.900 10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.928 -0.445 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.544 -1.496 12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.790 1.065 13.726 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.275 0.203 13.548 1.00 0.00 H new ATOM 443 N ALA A 29 -6.502 1.207 9.637 1.00 0.00 N ATOM 444 CA ALA A 29 -7.776 1.805 9.276 1.00 0.00 C ATOM 445 C ALA A 29 -8.958 1.038 9.862 1.00 0.00 C ATOM 446 O ALA A 29 -9.752 1.591 10.621 1.00 0.00 O ATOM 447 CB ALA A 29 -7.891 1.881 7.767 1.00 0.00 C ATOM 0 H ALA A 29 -6.343 0.278 9.248 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.807 2.809 9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.847 2.330 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.079 2.491 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.830 0.877 7.346 1.00 0.00 H new ATOM 453 N GLN A 30 -9.077 -0.236 9.507 1.00 0.00 N ATOM 454 CA GLN A 30 -10.223 -1.035 9.931 1.00 0.00 C ATOM 455 C GLN A 30 -9.928 -1.811 11.209 1.00 0.00 C ATOM 456 O GLN A 30 -10.828 -2.392 11.808 1.00 0.00 O ATOM 457 CB GLN A 30 -10.643 -2.005 8.824 1.00 0.00 C ATOM 458 CG GLN A 30 -11.113 -1.314 7.552 1.00 0.00 C ATOM 459 CD GLN A 30 -11.634 -2.293 6.514 1.00 0.00 C ATOM 460 OE1 GLN A 30 -12.820 -2.611 6.484 1.00 0.00 O ATOM 461 NE2 GLN A 30 -10.750 -2.777 5.654 1.00 0.00 N ATOM 0 H GLN A 30 -8.400 -0.736 8.931 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.041 -0.343 10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.802 -2.655 8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.443 -2.644 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.899 -0.600 7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.287 -0.744 7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.773 -2.489 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.046 -3.437 4.935 1.00 0.00 H new ATOM 470 N SER A 31 -8.670 -1.818 11.624 1.00 0.00 N ATOM 471 CA SER A 31 -8.272 -2.558 12.809 1.00 0.00 C ATOM 472 C SER A 31 -8.161 -1.631 14.020 1.00 0.00 C ATOM 473 O SER A 31 -7.594 -0.545 13.934 1.00 0.00 O ATOM 474 CB SER A 31 -6.951 -3.280 12.551 1.00 0.00 C ATOM 475 OG SER A 31 -7.075 -4.166 11.448 1.00 0.00 O ATOM 0 H SER A 31 -7.911 -1.321 11.159 1.00 0.00 H new ATOM 0 HA SER A 31 -9.038 -3.301 13.032 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.164 -2.552 12.353 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.654 -3.836 13.440 1.00 0.00 H new ATOM 0 HG SER A 31 -6.220 -4.619 11.295 1.00 0.00 H new ATOM 481 N ASP A 32 -8.713 -2.079 15.141 1.00 0.00 N ATOM 482 CA ASP A 32 -8.748 -1.291 16.374 1.00 0.00 C ATOM 483 C ASP A 32 -7.530 -1.581 17.240 1.00 0.00 C ATOM 484 O ASP A 32 -7.388 -1.061 18.350 1.00 0.00 O ATOM 485 CB ASP A 32 -10.018 -1.616 17.158 1.00 0.00 C ATOM 486 CG ASP A 32 -9.996 -3.001 17.780 1.00 0.00 C ATOM 487 OD1 ASP A 32 -10.167 -3.995 17.043 1.00 0.00 O ATOM 488 OD2 ASP A 32 -9.821 -3.101 19.011 1.00 0.00 O ATOM 0 H ASP A 32 -9.149 -2.997 15.224 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.740 -0.235 16.105 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.152 -0.873 17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.878 -1.536 16.494 1.00 0.00 H new ATOM 493 N GLN A 33 -6.658 -2.411 16.715 1.00 0.00 N ATOM 494 CA GLN A 33 -5.468 -2.840 17.424 1.00 0.00 C ATOM 495 C GLN A 33 -4.278 -1.984 17.015 1.00 0.00 C ATOM 496 O GLN A 33 -4.105 -1.662 15.838 1.00 0.00 O ATOM 497 CB GLN A 33 -5.220 -4.324 17.149 1.00 0.00 C ATOM 498 CG GLN A 33 -5.677 -4.759 15.765 1.00 0.00 C ATOM 499 CD GLN A 33 -5.565 -6.256 15.543 1.00 0.00 C ATOM 500 OE1 GLN A 33 -5.801 -7.039 16.587 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 -5.300 -6.709 14.429 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.752 -2.811 15.781 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.609 -2.712 18.497 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.156 -4.534 17.256 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.740 -4.918 17.900 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.713 -4.453 15.618 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.082 -4.241 15.013 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.124 -6.075 13.649 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.256 -7.718 14.286 1.00 0.00 H new ATOM 510 N ALA A 34 -3.469 -1.606 17.992 1.00 0.00 N ATOM 511 CA ALA A 34 -2.390 -0.659 17.768 1.00 0.00 C ATOM 512 C ALA A 34 -1.044 -1.359 17.682 1.00 0.00 C ATOM 513 O ALA A 34 -0.942 -2.565 17.900 1.00 0.00 O ATOM 514 CB ALA A 34 -2.367 0.380 18.877 1.00 0.00 C ATOM 0 H ALA A 34 -3.541 -1.943 18.952 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.573 -0.164 16.814 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.554 1.084 18.699 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.316 0.917 18.893 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.214 -0.115 19.836 1.00 0.00 H new ATOM 520 N GLY A 35 -0.014 -0.589 17.355 1.00 0.00 N ATOM 521 CA GLY A 35 1.328 -1.128 17.287 1.00 0.00 C ATOM 522 C GLY A 35 1.679 -1.636 15.908 1.00 0.00 C ATOM 523 O GLY A 35 2.852 -1.711 15.546 1.00 0.00 O ATOM 0 H GLY A 35 -0.086 0.404 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.041 -0.357 17.579 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.426 -1.941 18.006 1.00 0.00 H new ATOM 527 N LEU A 36 0.659 -2.017 15.154 1.00 0.00 N ATOM 528 CA LEU A 36 0.834 -2.522 13.801 1.00 0.00 C ATOM 529 C LEU A 36 1.110 -1.391 12.820 1.00 0.00 C ATOM 530 O LEU A 36 0.662 -0.257 13.020 1.00 0.00 O ATOM 531 CB LEU A 36 -0.433 -3.259 13.369 1.00 0.00 C ATOM 532 CG LEU A 36 -1.012 -4.227 14.406 1.00 0.00 C ATOM 533 CD1 LEU A 36 -2.381 -4.711 13.970 1.00 0.00 C ATOM 534 CD2 LEU A 36 -0.079 -5.406 14.627 1.00 0.00 C ATOM 0 H LEU A 36 -0.313 -1.985 15.463 1.00 0.00 H new ATOM 0 HA LEU A 36 1.689 -3.198 13.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.196 -2.521 13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.217 -3.816 12.457 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.114 -3.693 15.351 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.779 -5.398 14.717 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.052 -3.859 13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.297 -5.225 13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.512 -6.079 15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.060 -5.941 13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.885 -5.045 14.985 1.00 0.00 H new ATOM 546 N TRP A 37 1.848 -1.715 11.767 1.00 0.00 N ATOM 547 CA TRP A 37 2.147 -0.768 10.703 1.00 0.00 C ATOM 548 C TRP A 37 1.506 -1.247 9.405 1.00 0.00 C ATOM 549 O TRP A 37 1.360 -2.451 9.193 1.00 0.00 O ATOM 550 CB TRP A 37 3.665 -0.641 10.505 1.00 0.00 C ATOM 551 CG TRP A 37 4.422 -0.309 11.761 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.803 -1.182 12.740 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.899 0.980 12.169 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.476 -0.513 13.732 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.547 0.813 13.407 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.835 2.258 11.615 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.131 1.876 14.094 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.414 3.313 12.297 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.053 3.116 13.526 1.00 0.00 C ATOM 0 H TRP A 37 2.255 -2.640 11.627 1.00 0.00 H new ATOM 0 HA TRP A 37 1.746 0.208 10.978 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.047 -1.578 10.100 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.860 0.131 9.761 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.604 -2.243 12.734 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.861 -0.937 14.576 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.341 2.422 10.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.627 1.725 15.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.372 4.306 11.874 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.493 3.961 14.035 1.00 0.00 H new ATOM 570 N GLU A 38 1.116 -0.312 8.552 1.00 0.00 N ATOM 571 CA GLU A 38 0.570 -0.646 7.241 1.00 0.00 C ATOM 572 C GLU A 38 1.085 0.341 6.200 1.00 0.00 C ATOM 573 O GLU A 38 1.615 1.405 6.552 1.00 0.00 O ATOM 574 CB GLU A 38 -0.968 -0.643 7.256 1.00 0.00 C ATOM 575 CG GLU A 38 -1.585 0.675 7.705 1.00 0.00 C ATOM 576 CD GLU A 38 -3.093 0.729 7.505 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.792 -0.225 7.905 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.585 1.746 6.963 1.00 0.00 O ATOM 0 H GLU A 38 1.167 0.689 8.743 1.00 0.00 H new ATOM 0 HA GLU A 38 0.900 -1.652 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.330 -0.879 6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.315 -1.438 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.359 0.834 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.122 1.493 7.152 1.00 0.00 H new ATOM 585 N PHE A 39 0.957 -0.016 4.928 1.00 0.00 N ATOM 586 CA PHE A 39 1.306 0.898 3.849 1.00 0.00 C ATOM 587 C PHE A 39 0.208 1.944 3.698 1.00 0.00 C ATOM 588 O PHE A 39 -0.920 1.737 4.142 1.00 0.00 O ATOM 589 CB PHE A 39 1.510 0.148 2.524 1.00 0.00 C ATOM 590 CG PHE A 39 2.657 -0.807 2.530 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.956 -0.349 2.628 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.431 -2.162 2.426 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.010 -1.233 2.627 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.476 -3.051 2.424 1.00 0.00 C ATOM 595 CZ PHE A 39 4.772 -2.589 2.526 1.00 0.00 C ATOM 0 H PHE A 39 0.616 -0.927 4.620 1.00 0.00 H new ATOM 0 HA PHE A 39 2.247 1.387 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.598 -0.399 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.663 0.876 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.146 0.711 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.419 -2.529 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.023 -0.866 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.284 -4.111 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.597 -3.286 2.527 1.00 0.00 H new ATOM 605 N ALA A 40 0.535 3.070 3.085 1.00 0.00 N ATOM 606 CA ALA A 40 -0.438 4.134 2.910 1.00 0.00 C ATOM 607 C ALA A 40 -1.314 3.854 1.701 1.00 0.00 C ATOM 608 O ALA A 40 -0.991 2.999 0.883 1.00 0.00 O ATOM 609 CB ALA A 40 0.260 5.473 2.761 1.00 0.00 C ATOM 0 H ALA A 40 1.460 3.270 2.703 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.072 4.173 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.484 6.259 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.851 5.677 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.916 5.447 1.891 1.00 0.00 H new ATOM 615 N GLY A 41 -2.426 4.558 1.594 1.00 0.00 N ATOM 616 CA GLY A 41 -3.298 4.381 0.458 1.00 0.00 C ATOM 617 C GLY A 41 -4.753 4.465 0.856 1.00 0.00 C ATOM 618 O GLY A 41 -5.141 5.363 1.600 1.00 0.00 O ATOM 0 H GLY A 41 -2.741 5.250 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.080 5.143 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.102 3.414 -0.005 1.00 0.00 H new ATOM 622 N GLY A 42 -5.550 3.521 0.384 1.00 0.00 N ATOM 623 CA GLY A 42 -6.958 3.519 0.710 1.00 0.00 C ATOM 624 C GLY A 42 -7.775 2.698 -0.259 1.00 0.00 C ATOM 625 O GLY A 42 -7.295 1.704 -0.801 1.00 0.00 O ATOM 0 H GLY A 42 -5.247 2.756 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.094 3.127 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.328 4.544 0.714 1.00 0.00 H new ATOM 629 N LYS A 43 -8.993 3.136 -0.505 1.00 0.00 N ATOM 630 CA LYS A 43 -9.911 2.389 -1.348 1.00 0.00 C ATOM 631 C LYS A 43 -10.157 3.134 -2.650 1.00 0.00 C ATOM 632 O LYS A 43 -10.034 4.356 -2.712 1.00 0.00 O ATOM 633 CB LYS A 43 -11.244 2.141 -0.629 1.00 0.00 C ATOM 634 CG LYS A 43 -12.243 1.359 -1.468 1.00 0.00 C ATOM 635 CD LYS A 43 -13.663 1.522 -0.970 1.00 0.00 C ATOM 636 CE LYS A 43 -14.653 0.947 -1.967 1.00 0.00 C ATOM 637 NZ LYS A 43 -16.028 1.459 -1.747 1.00 0.00 N ATOM 0 H LYS A 43 -9.373 4.007 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.454 1.424 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.054 1.598 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.684 3.099 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.183 1.692 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.975 0.302 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.776 1.021 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.877 2.578 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.332 1.194 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.655 -0.140 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.714 0.695 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.120 1.798 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.216 2.243 -2.404 1.00 0.00 H new ATOM 651 N VAL A 44 -10.503 2.385 -3.682 1.00 0.00 N ATOM 652 CA VAL A 44 -10.831 2.955 -4.971 1.00 0.00 C ATOM 653 C VAL A 44 -12.332 2.864 -5.192 1.00 0.00 C ATOM 654 O VAL A 44 -12.867 1.775 -5.415 1.00 0.00 O ATOM 655 CB VAL A 44 -10.113 2.213 -6.119 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.359 2.902 -7.450 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.625 2.101 -5.841 1.00 0.00 C ATOM 0 H VAL A 44 -10.564 1.367 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.502 3.994 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.526 1.206 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.842 2.359 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.429 2.918 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.983 3.924 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.140 1.575 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.197 3.099 -5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.469 1.549 -4.914 1.00 0.00 H new ATOM 667 N GLU A 45 -13.020 3.991 -5.091 1.00 0.00 N ATOM 668 CA GLU A 45 -14.449 4.018 -5.357 1.00 0.00 C ATOM 669 C GLU A 45 -14.681 3.765 -6.846 1.00 0.00 C ATOM 670 O GLU A 45 -13.839 4.116 -7.670 1.00 0.00 O ATOM 671 CB GLU A 45 -15.060 5.357 -4.927 1.00 0.00 C ATOM 672 CG GLU A 45 -14.858 5.683 -3.452 1.00 0.00 C ATOM 673 CD GLU A 45 -15.414 4.624 -2.515 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.410 3.957 -2.869 1.00 0.00 O ATOM 675 OE2 GLU A 45 -14.859 4.453 -1.410 1.00 0.00 O ATOM 0 H GLU A 45 -12.616 4.891 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.940 3.236 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.623 6.154 -5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.128 5.344 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.792 5.805 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.334 6.638 -3.231 1.00 0.00 H new ATOM 682 N PRO A 46 -15.824 3.157 -7.211 1.00 0.00 N ATOM 683 CA PRO A 46 -16.097 2.718 -8.594 1.00 0.00 C ATOM 684 C PRO A 46 -16.106 3.848 -9.633 1.00 0.00 C ATOM 685 O PRO A 46 -16.346 3.603 -10.816 1.00 0.00 O ATOM 686 CB PRO A 46 -17.490 2.077 -8.501 1.00 0.00 C ATOM 687 CG PRO A 46 -18.084 2.614 -7.244 1.00 0.00 C ATOM 688 CD PRO A 46 -16.936 2.826 -6.304 1.00 0.00 C ATOM 0 HA PRO A 46 -15.308 2.050 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -18.101 2.335 -9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.422 0.990 -8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.614 3.548 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.808 1.915 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.135 3.633 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.725 1.933 -5.716 1.00 0.00 H new ATOM 696 N ASP A 47 -15.855 5.078 -9.205 1.00 0.00 N ATOM 697 CA ASP A 47 -15.851 6.212 -10.124 1.00 0.00 C ATOM 698 C ASP A 47 -14.439 6.750 -10.362 1.00 0.00 C ATOM 699 O ASP A 47 -14.190 7.472 -11.328 1.00 0.00 O ATOM 700 CB ASP A 47 -16.757 7.323 -9.594 1.00 0.00 C ATOM 701 CG ASP A 47 -16.865 8.491 -10.555 1.00 0.00 C ATOM 702 OD1 ASP A 47 -17.567 8.360 -11.581 1.00 0.00 O ATOM 703 OD2 ASP A 47 -16.263 9.550 -10.279 1.00 0.00 O ATOM 0 H ASP A 47 -15.653 5.317 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.233 5.860 -11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.751 6.918 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.371 7.677 -8.638 1.00 0.00 H new ATOM 708 N GLU A 48 -13.512 6.361 -9.508 1.00 0.00 N ATOM 709 CA GLU A 48 -12.148 6.879 -9.588 1.00 0.00 C ATOM 710 C GLU A 48 -11.185 5.806 -10.088 1.00 0.00 C ATOM 711 O GLU A 48 -11.488 4.614 -10.028 1.00 0.00 O ATOM 712 CB GLU A 48 -11.690 7.431 -8.232 1.00 0.00 C ATOM 713 CG GLU A 48 -11.514 6.377 -7.151 1.00 0.00 C ATOM 714 CD GLU A 48 -11.245 6.981 -5.790 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.392 7.889 -5.690 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.909 6.572 -4.816 1.00 0.00 O ATOM 0 H GLU A 48 -13.670 5.693 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.143 7.699 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.744 7.956 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.417 8.167 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.411 5.760 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.689 5.718 -7.422 1.00 0.00 H new ATOM 723 N SER A 49 -10.036 6.231 -10.595 1.00 0.00 N ATOM 724 CA SER A 49 -9.049 5.308 -11.131 1.00 0.00 C ATOM 725 C SER A 49 -8.030 4.936 -10.058 1.00 0.00 C ATOM 726 O SER A 49 -7.935 5.607 -9.034 1.00 0.00 O ATOM 727 CB SER A 49 -8.344 5.934 -12.341 1.00 0.00 C ATOM 728 OG SER A 49 -7.347 5.072 -12.871 1.00 0.00 O ATOM 0 H SER A 49 -9.765 7.213 -10.646 1.00 0.00 H new ATOM 0 HA SER A 49 -9.559 4.400 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.079 6.159 -13.114 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.889 6.880 -12.048 1.00 0.00 H new ATOM 0 HG SER A 49 -6.919 5.501 -13.641 1.00 0.00 H new ATOM 734 N GLN A 50 -7.260 3.878 -10.308 1.00 0.00 N ATOM 735 CA GLN A 50 -6.261 3.395 -9.358 1.00 0.00 C ATOM 736 C GLN A 50 -5.231 4.474 -9.047 1.00 0.00 C ATOM 737 O GLN A 50 -5.015 4.820 -7.885 1.00 0.00 O ATOM 738 CB GLN A 50 -5.552 2.164 -9.916 1.00 0.00 C ATOM 739 CG GLN A 50 -6.457 0.962 -10.112 1.00 0.00 C ATOM 740 CD GLN A 50 -5.744 -0.188 -10.797 1.00 0.00 C ATOM 741 OE1 GLN A 50 -4.432 -0.270 -10.610 1.00 0.00 O flip ATOM 742 NE2 GLN A 50 -6.363 -0.986 -11.496 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.311 3.335 -11.170 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.779 3.131 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.097 2.422 -10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.741 1.888 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.831 0.630 -9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.323 1.255 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.371 -0.886 -11.613 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.869 -1.748 -11.959 1.00 0.00 H new ATOM 751 N ARG A 51 -4.600 5.007 -10.093 1.00 0.00 N ATOM 752 CA ARG A 51 -3.585 6.039 -9.915 1.00 0.00 C ATOM 753 C ARG A 51 -4.196 7.279 -9.284 1.00 0.00 C ATOM 754 O ARG A 51 -3.573 7.934 -8.453 1.00 0.00 O ATOM 755 CB ARG A 51 -2.930 6.426 -11.242 1.00 0.00 C ATOM 756 CG ARG A 51 -2.283 5.267 -11.982 1.00 0.00 C ATOM 757 CD ARG A 51 -1.469 5.764 -13.165 1.00 0.00 C ATOM 758 NE ARG A 51 -0.687 4.697 -13.787 1.00 0.00 N ATOM 759 CZ ARG A 51 0.416 4.905 -14.509 1.00 0.00 C ATOM 760 NH1 ARG A 51 0.832 6.140 -14.761 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.096 3.873 -14.991 1.00 0.00 N ATOM 0 H ARG A 51 -4.773 4.743 -11.063 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.819 5.626 -9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.683 6.878 -11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.174 7.188 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.639 4.710 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.052 4.577 -12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.138 6.200 -13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.799 6.557 -12.834 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.003 3.735 -13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.308 6.938 -14.402 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.676 6.291 -15.314 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.776 2.922 -14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.939 4.031 -15.543 1.00 0.00 H new ATOM 775 N GLN A 52 -5.428 7.581 -9.667 1.00 0.00 N ATOM 776 CA GLN A 52 -6.111 8.759 -9.163 1.00 0.00 C ATOM 777 C GLN A 52 -6.416 8.596 -7.680 1.00 0.00 C ATOM 778 O GLN A 52 -6.241 9.530 -6.899 1.00 0.00 O ATOM 779 CB GLN A 52 -7.389 9.014 -9.968 1.00 0.00 C ATOM 780 CG GLN A 52 -8.273 10.110 -9.394 1.00 0.00 C ATOM 781 CD GLN A 52 -9.011 10.886 -10.470 1.00 0.00 C ATOM 782 OE1 GLN A 52 -8.378 11.042 -11.622 1.00 0.00 O flip ATOM 783 NE2 GLN A 52 -10.129 11.359 -10.262 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.974 7.025 -10.325 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.461 9.626 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.116 9.279 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.963 8.089 -10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.996 9.667 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.661 10.797 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.583 11.216 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.600 11.893 -10.992 1.00 0.00 H new ATOM 792 N ALA A 53 -6.830 7.396 -7.303 1.00 0.00 N ATOM 793 CA ALA A 53 -7.119 7.087 -5.912 1.00 0.00 C ATOM 794 C ALA A 53 -5.871 7.236 -5.054 1.00 0.00 C ATOM 795 O ALA A 53 -5.900 7.902 -4.024 1.00 0.00 O ATOM 796 CB ALA A 53 -7.689 5.684 -5.784 1.00 0.00 C ATOM 0 H ALA A 53 -6.974 6.617 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.865 7.797 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.899 5.471 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.611 5.612 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.966 4.962 -6.163 1.00 0.00 H new ATOM 802 N LEU A 54 -4.762 6.655 -5.501 1.00 0.00 N ATOM 803 CA LEU A 54 -3.514 6.725 -4.748 1.00 0.00 C ATOM 804 C LEU A 54 -3.054 8.167 -4.601 1.00 0.00 C ATOM 805 O LEU A 54 -2.661 8.592 -3.518 1.00 0.00 O ATOM 806 CB LEU A 54 -2.427 5.898 -5.435 1.00 0.00 C ATOM 807 CG LEU A 54 -2.556 4.387 -5.260 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.775 3.647 -6.334 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.061 3.985 -3.881 1.00 0.00 C ATOM 0 H LEU A 54 -4.701 6.133 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.695 6.314 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.437 6.127 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.456 6.211 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.607 4.116 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.883 2.572 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.160 3.919 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.721 3.918 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.155 2.906 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.015 4.272 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.657 4.488 -3.120 1.00 0.00 H new ATOM 821 N VAL A 55 -3.126 8.918 -5.688 1.00 0.00 N ATOM 822 CA VAL A 55 -2.708 10.310 -5.672 1.00 0.00 C ATOM 823 C VAL A 55 -3.543 11.127 -4.689 1.00 0.00 C ATOM 824 O VAL A 55 -2.998 11.896 -3.894 1.00 0.00 O ATOM 825 CB VAL A 55 -2.784 10.941 -7.083 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.624 12.452 -7.018 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.719 10.341 -7.983 1.00 0.00 C ATOM 0 H VAL A 55 -3.469 8.588 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.669 10.327 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.768 10.722 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.682 12.868 -8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.419 12.876 -6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.657 12.697 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.782 10.793 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.734 10.533 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.875 9.265 -8.064 1.00 0.00 H new ATOM 837 N ARG A 56 -4.857 10.948 -4.726 1.00 0.00 N ATOM 838 CA ARG A 56 -5.735 11.744 -3.883 1.00 0.00 C ATOM 839 C ARG A 56 -5.684 11.286 -2.423 1.00 0.00 C ATOM 840 O ARG A 56 -5.673 12.121 -1.523 1.00 0.00 O ATOM 841 CB ARG A 56 -7.173 11.770 -4.438 1.00 0.00 C ATOM 842 CG ARG A 56 -7.911 10.437 -4.455 1.00 0.00 C ATOM 843 CD ARG A 56 -8.738 10.250 -3.199 1.00 0.00 C ATOM 844 NE ARG A 56 -9.658 9.122 -3.300 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.493 8.776 -2.329 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.549 9.498 -1.216 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.288 7.723 -2.471 1.00 0.00 N ATOM 0 H ARG A 56 -5.331 10.269 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.369 12.771 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.756 12.477 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.140 12.157 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.559 10.389 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.193 9.622 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.073 10.098 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.304 11.160 -3.001 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.659 8.573 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.951 10.317 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.190 9.234 -0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.259 7.174 -3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.928 7.462 -1.721 1.00 0.00 H new ATOM 861 N GLU A 57 -5.634 9.975 -2.191 1.00 0.00 N ATOM 862 CA GLU A 57 -5.550 9.438 -0.828 1.00 0.00 C ATOM 863 C GLU A 57 -4.308 9.948 -0.105 1.00 0.00 C ATOM 864 O GLU A 57 -4.402 10.496 0.988 1.00 0.00 O ATOM 865 CB GLU A 57 -5.556 7.905 -0.844 1.00 0.00 C ATOM 866 CG GLU A 57 -6.918 7.298 -1.160 1.00 0.00 C ATOM 867 CD GLU A 57 -7.926 7.474 -0.037 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.263 8.628 0.295 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.379 6.455 0.535 1.00 0.00 O ATOM 0 H GLU A 57 -5.650 9.266 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.429 9.787 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.833 7.556 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.222 7.540 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.311 7.756 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.796 6.235 -1.367 1.00 0.00 H new ATOM 876 N LEU A 58 -3.144 9.767 -0.715 1.00 0.00 N ATOM 877 CA LEU A 58 -1.902 10.274 -0.154 1.00 0.00 C ATOM 878 C LEU A 58 -1.955 11.783 0.019 1.00 0.00 C ATOM 879 O LEU A 58 -1.382 12.323 0.952 1.00 0.00 O ATOM 880 CB LEU A 58 -0.727 9.914 -1.044 1.00 0.00 C ATOM 881 CG LEU A 58 -0.206 8.482 -0.915 1.00 0.00 C ATOM 882 CD1 LEU A 58 -1.291 7.450 -1.160 1.00 0.00 C ATOM 883 CD2 LEU A 58 0.955 8.266 -1.870 1.00 0.00 C ATOM 0 H LEU A 58 -3.036 9.272 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.771 9.810 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.017 10.083 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.092 10.599 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 58 0.136 8.348 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.871 6.449 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.092 7.584 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.691 7.574 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.321 7.244 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.621 8.436 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.758 8.963 -1.630 1.00 0.00 H new ATOM 895 N ARG A 59 -2.615 12.465 -0.898 1.00 0.00 N ATOM 896 CA ARG A 59 -2.783 13.904 -0.795 1.00 0.00 C ATOM 897 C ARG A 59 -3.568 14.277 0.463 1.00 0.00 C ATOM 898 O ARG A 59 -3.314 15.312 1.079 1.00 0.00 O ATOM 899 CB ARG A 59 -3.478 14.425 -2.049 1.00 0.00 C ATOM 900 CG ARG A 59 -3.808 15.901 -2.013 1.00 0.00 C ATOM 901 CD ARG A 59 -4.288 16.374 -3.372 1.00 0.00 C ATOM 902 NE ARG A 59 -4.757 17.752 -3.338 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.594 18.618 -4.336 1.00 0.00 C ATOM 904 NH1 ARG A 59 -3.901 18.277 -5.416 1.00 0.00 N ATOM 905 NH2 ARG A 59 -5.115 19.831 -4.248 1.00 0.00 N ATOM 0 H ARG A 59 -3.044 12.046 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.801 14.370 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.841 14.229 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.400 13.863 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.577 16.089 -1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.927 16.469 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.476 16.286 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.093 15.726 -3.717 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.240 18.073 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.489 17.346 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.780 18.946 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.640 20.101 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.991 20.496 -5.012 1.00 0.00 H new ATOM 919 N GLU A 60 -4.508 13.423 0.846 1.00 0.00 N ATOM 920 CA GLU A 60 -5.329 13.676 2.024 1.00 0.00 C ATOM 921 C GLU A 60 -4.658 13.136 3.285 1.00 0.00 C ATOM 922 O GLU A 60 -4.668 13.782 4.332 1.00 0.00 O ATOM 923 CB GLU A 60 -6.720 13.050 1.857 1.00 0.00 C ATOM 924 CG GLU A 60 -7.406 13.434 0.556 1.00 0.00 C ATOM 925 CD GLU A 60 -8.862 13.010 0.506 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.645 13.455 1.374 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.237 12.252 -0.414 1.00 0.00 O ATOM 0 H GLU A 60 -4.721 12.552 0.360 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.440 14.755 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.629 11.965 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.349 13.354 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.343 14.514 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.872 12.979 -0.278 1.00 0.00 H new ATOM 934 N GLU A 61 -4.066 11.955 3.178 1.00 0.00 N ATOM 935 CA GLU A 61 -3.465 11.301 4.333 1.00 0.00 C ATOM 936 C GLU A 61 -2.022 11.721 4.542 1.00 0.00 C ATOM 937 O GLU A 61 -1.645 12.097 5.650 1.00 0.00 O ATOM 938 CB GLU A 61 -3.538 9.777 4.213 1.00 0.00 C ATOM 939 CG GLU A 61 -4.942 9.243 4.307 1.00 0.00 C ATOM 940 CD GLU A 61 -5.539 9.579 5.650 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.793 9.523 6.652 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.731 9.936 5.713 1.00 0.00 O ATOM 0 H GLU A 61 -3.989 11.431 2.306 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.045 11.620 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.103 9.472 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.931 9.327 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.554 9.669 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.938 8.163 4.163 1.00 0.00 H new ATOM 949 N LEU A 62 -1.218 11.667 3.489 1.00 0.00 N ATOM 950 CA LEU A 62 0.208 11.917 3.630 1.00 0.00 C ATOM 951 C LEU A 62 0.578 13.335 3.214 1.00 0.00 C ATOM 952 O LEU A 62 1.752 13.691 3.235 1.00 0.00 O ATOM 953 CB LEU A 62 1.011 10.920 2.793 1.00 0.00 C ATOM 954 CG LEU A 62 0.733 9.442 3.069 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.648 8.582 2.211 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.924 9.121 4.545 1.00 0.00 C ATOM 0 H LEU A 62 -1.524 11.455 2.539 1.00 0.00 H new ATOM 0 HA LEU A 62 0.452 11.794 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.813 11.117 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.072 11.108 2.958 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.304 9.225 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.449 7.529 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.465 8.794 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.688 8.806 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.721 8.064 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.950 9.345 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.238 9.724 5.140 1.00 0.00 H new ATOM 968 N GLY A 63 -0.419 14.149 2.868 1.00 0.00 N ATOM 969 CA GLY A 63 -0.158 15.492 2.370 1.00 0.00 C ATOM 970 C GLY A 63 0.810 15.550 1.194 1.00 0.00 C ATOM 971 O GLY A 63 1.458 16.577 0.980 1.00 0.00 O ATOM 0 H GLY A 63 -1.407 13.901 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.103 15.945 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.241 16.097 3.184 1.00 0.00 H new ATOM 975 N ILE A 64 0.912 14.471 0.421 1.00 0.00 N ATOM 976 CA ILE A 64 1.842 14.449 -0.702 1.00 0.00 C ATOM 977 C ILE A 64 1.122 14.243 -2.027 1.00 0.00 C ATOM 978 O ILE A 64 0.122 13.528 -2.111 1.00 0.00 O ATOM 979 CB ILE A 64 2.946 13.371 -0.562 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.343 11.966 -0.453 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.841 13.665 0.630 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.374 10.853 -0.446 1.00 0.00 C ATOM 0 H ILE A 64 0.372 13.615 0.549 1.00 0.00 H new ATOM 0 HA ILE A 64 2.320 15.429 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 64 3.556 13.403 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.751 11.905 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.659 11.809 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.608 12.895 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.315 14.637 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.242 13.674 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.869 9.890 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.951 10.885 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.044 10.983 0.404 1.00 0.00 H new ATOM 994 N GLU A 65 1.642 14.892 -3.050 1.00 0.00 N ATOM 995 CA GLU A 65 1.158 14.730 -4.407 1.00 0.00 C ATOM 996 C GLU A 65 2.085 13.802 -5.167 1.00 0.00 C ATOM 997 O GLU A 65 3.166 14.198 -5.595 1.00 0.00 O ATOM 998 CB GLU A 65 1.058 16.092 -5.085 1.00 0.00 C ATOM 999 CG GLU A 65 -0.145 16.878 -4.610 1.00 0.00 C ATOM 1000 CD GLU A 65 -0.240 18.254 -5.226 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -0.678 18.361 -6.387 1.00 0.00 O ATOM 1002 OE2 GLU A 65 0.101 19.238 -4.537 1.00 0.00 O ATOM 0 H GLU A 65 2.416 15.550 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 65 0.163 14.286 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.965 16.663 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.998 15.955 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.051 16.319 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.102 16.975 -3.525 1.00 0.00 H new ATOM 1009 N ALA A 66 1.664 12.559 -5.304 1.00 0.00 N ATOM 1010 CA ALA A 66 2.530 11.515 -5.820 1.00 0.00 C ATOM 1011 C ALA A 66 2.335 11.277 -7.313 1.00 0.00 C ATOM 1012 O ALA A 66 1.289 11.597 -7.880 1.00 0.00 O ATOM 1013 CB ALA A 66 2.291 10.233 -5.046 1.00 0.00 C ATOM 0 H ALA A 66 0.723 12.246 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 66 3.561 11.845 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.941 9.448 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.510 10.399 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.250 9.930 -5.157 1.00 0.00 H new ATOM 1019 N THR A 67 3.355 10.704 -7.930 1.00 0.00 N ATOM 1020 CA THR A 67 3.311 10.338 -9.334 1.00 0.00 C ATOM 1021 C THR A 67 3.283 8.817 -9.458 1.00 0.00 C ATOM 1022 O THR A 67 4.265 8.144 -9.136 1.00 0.00 O ATOM 1023 CB THR A 67 4.536 10.903 -10.085 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.560 12.334 -9.974 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.516 10.500 -11.552 1.00 0.00 C ATOM 0 H THR A 67 4.237 10.480 -7.470 1.00 0.00 H new ATOM 0 HA THR A 67 2.411 10.761 -9.780 1.00 0.00 H new ATOM 0 HB THR A 67 5.434 10.487 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.430 12.620 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.391 10.913 -12.055 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.531 9.413 -11.631 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.612 10.885 -12.023 1.00 0.00 H new ATOM 1033 N VAL A 68 2.155 8.272 -9.900 1.00 0.00 N ATOM 1034 CA VAL A 68 1.986 6.828 -9.969 1.00 0.00 C ATOM 1035 C VAL A 68 2.560 6.287 -11.271 1.00 0.00 C ATOM 1036 O VAL A 68 2.426 6.915 -12.322 1.00 0.00 O ATOM 1037 CB VAL A 68 0.498 6.423 -9.855 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.351 4.910 -9.784 1.00 0.00 C ATOM 1039 CG2 VAL A 68 -0.142 7.079 -8.642 1.00 0.00 C ATOM 0 H VAL A 68 1.347 8.808 -10.215 1.00 0.00 H new ATOM 0 HA VAL A 68 2.525 6.397 -9.125 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.018 6.772 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.705 4.650 -9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.768 4.461 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.884 4.533 -8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.189 6.783 -8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.381 6.763 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.077 8.163 -8.738 1.00 0.00 H new ATOM 1049 N GLY A 69 3.218 5.135 -11.195 1.00 0.00 N ATOM 1050 CA GLY A 69 3.785 4.536 -12.382 1.00 0.00 C ATOM 1051 C GLY A 69 3.995 3.042 -12.242 1.00 0.00 C ATOM 1052 O GLY A 69 3.248 2.244 -12.809 1.00 0.00 O ATOM 0 H GLY A 69 3.367 4.609 -10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.128 4.728 -13.230 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.739 5.013 -12.604 1.00 0.00 H new ATOM 1056 N GLU A 70 5.002 2.670 -11.466 1.00 0.00 N ATOM 1057 CA GLU A 70 5.424 1.280 -11.350 1.00 0.00 C ATOM 1058 C GLU A 70 4.739 0.561 -10.186 1.00 0.00 C ATOM 1059 O GLU A 70 4.847 0.968 -9.028 1.00 0.00 O ATOM 1060 CB GLU A 70 6.948 1.222 -11.202 1.00 0.00 C ATOM 1061 CG GLU A 70 7.498 2.188 -10.161 1.00 0.00 C ATOM 1062 CD GLU A 70 9.010 2.209 -10.123 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.597 1.370 -9.418 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.617 3.076 -10.785 1.00 0.00 O ATOM 0 H GLU A 70 5.549 3.320 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 70 5.123 0.759 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.240 0.207 -10.933 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.407 1.441 -12.166 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.130 3.192 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.118 1.911 -9.178 1.00 0.00 H new ATOM 1071 N TYR A 71 4.034 -0.515 -10.506 1.00 0.00 N ATOM 1072 CA TYR A 71 3.372 -1.334 -9.508 1.00 0.00 C ATOM 1073 C TYR A 71 4.275 -2.479 -9.065 1.00 0.00 C ATOM 1074 O TYR A 71 5.059 -3.005 -9.858 1.00 0.00 O ATOM 1075 CB TYR A 71 2.066 -1.883 -10.071 1.00 0.00 C ATOM 1076 CG TYR A 71 0.951 -0.865 -10.109 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.132 -0.672 -9.004 1.00 0.00 C ATOM 1078 CD2 TYR A 71 0.717 -0.099 -11.243 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.892 0.255 -9.030 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -0.305 0.828 -11.276 1.00 0.00 C ATOM 1081 CZ TYR A 71 -1.106 1.003 -10.168 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.127 1.924 -10.201 1.00 0.00 O ATOM 0 H TYR A 71 3.907 -0.842 -11.464 1.00 0.00 H new ATOM 0 HA TYR A 71 3.154 -0.714 -8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.243 -2.255 -11.080 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.749 -2.735 -9.469 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.298 -1.256 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.344 -0.230 -12.112 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.522 0.393 -8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.476 1.414 -12.167 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.973 1.467 -10.390 1.00 0.00 H new ATOM 1092 N VAL A 72 4.163 -2.853 -7.802 1.00 0.00 N ATOM 1093 CA VAL A 72 4.989 -3.909 -7.232 1.00 0.00 C ATOM 1094 C VAL A 72 4.283 -5.255 -7.312 1.00 0.00 C ATOM 1095 O VAL A 72 4.690 -6.141 -8.063 1.00 0.00 O ATOM 1096 CB VAL A 72 5.318 -3.616 -5.757 1.00 0.00 C ATOM 1097 CG1 VAL A 72 6.245 -4.679 -5.186 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.916 -2.229 -5.613 1.00 0.00 C ATOM 0 H VAL A 72 3.502 -2.438 -7.145 1.00 0.00 H new ATOM 0 HA VAL A 72 5.911 -3.944 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 72 4.391 -3.646 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.463 -4.450 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.763 -5.655 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.174 -4.695 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.143 -2.038 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.832 -2.165 -6.200 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.203 -1.486 -5.971 1.00 0.00 H new ATOM 1108 N ALA A 73 3.215 -5.397 -6.541 1.00 0.00 N ATOM 1109 CA ALA A 73 2.445 -6.630 -6.528 1.00 0.00 C ATOM 1110 C ALA A 73 0.974 -6.343 -6.283 1.00 0.00 C ATOM 1111 O ALA A 73 0.583 -5.192 -6.084 1.00 0.00 O ATOM 1112 CB ALA A 73 2.982 -7.579 -5.464 1.00 0.00 C ATOM 0 H ALA A 73 2.862 -4.672 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 73 2.544 -7.105 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.395 -8.498 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.025 -7.814 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.911 -7.106 -4.485 1.00 0.00 H new ATOM 1118 N SER A 74 0.156 -7.379 -6.320 1.00 0.00 N ATOM 1119 CA SER A 74 -1.253 -7.247 -6.007 1.00 0.00 C ATOM 1120 C SER A 74 -1.730 -8.478 -5.244 1.00 0.00 C ATOM 1121 O SER A 74 -1.281 -9.597 -5.506 1.00 0.00 O ATOM 1122 CB SER A 74 -2.065 -7.041 -7.287 1.00 0.00 C ATOM 1123 OG SER A 74 -1.610 -5.896 -7.993 1.00 0.00 O ATOM 0 H SER A 74 0.446 -8.326 -6.565 1.00 0.00 H new ATOM 0 HA SER A 74 -1.400 -6.372 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.981 -7.923 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.120 -6.926 -7.039 1.00 0.00 H new ATOM 0 HG SER A 74 -2.141 -5.783 -8.809 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.630 -8.268 -4.295 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.069 -9.330 -3.404 1.00 0.00 C ATOM 1131 C HIS A 75 -4.579 -9.274 -3.209 1.00 0.00 C ATOM 1132 O HIS A 75 -5.149 -8.194 -3.049 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.363 -9.201 -2.050 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.809 -10.207 -1.033 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.344 -9.855 0.187 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.795 -11.560 -1.058 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.638 -10.948 0.868 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.316 -11.995 0.135 1.00 0.00 N ATOM 0 H HIS A 75 -3.073 -7.365 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.812 -10.289 -3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.288 -9.304 -2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.535 -8.200 -1.656 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.440 -12.182 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.069 -10.979 1.858 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.435 -12.970 0.410 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.216 -10.432 -3.225 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.644 -10.517 -2.972 1.00 0.00 C ATOM 1149 C GLN A 76 -6.928 -11.179 -1.635 1.00 0.00 C ATOM 1150 O GLN A 76 -6.203 -12.067 -1.193 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.351 -11.279 -4.089 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.551 -10.449 -5.338 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.174 -11.239 -6.469 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.396 -11.289 -6.613 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -7.337 -11.856 -7.283 1.00 0.00 N ATOM 0 H GLN A 76 -4.766 -11.328 -3.411 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.030 -9.498 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.771 -12.167 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.321 -11.623 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.186 -9.594 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.590 -10.052 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.331 -11.788 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.696 -12.400 -8.067 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.981 -10.712 -0.996 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.459 -11.268 0.260 1.00 0.00 C ATOM 1166 C ARG A 77 -9.931 -10.933 0.373 1.00 0.00 C ATOM 1167 O ARG A 77 -10.454 -10.247 -0.491 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.687 -10.692 1.451 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.862 -9.192 1.628 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.123 -8.697 2.857 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.211 -7.247 3.026 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.899 -6.618 4.162 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -6.563 -7.319 5.239 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.927 -5.289 4.224 1.00 0.00 N ATOM 0 H ARG A 77 -8.537 -9.927 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.305 -12.347 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.012 -11.196 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.627 -10.912 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.492 -8.673 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.922 -8.954 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.530 -9.187 3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.075 -8.987 2.786 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.527 -6.687 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.543 -8.338 5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.325 -6.838 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.188 -4.745 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.688 -4.814 5.094 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.615 -11.414 1.392 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.017 -11.066 1.539 1.00 0.00 C ATOM 1190 C GLU A 78 -12.289 -10.346 2.855 1.00 0.00 C ATOM 1191 O GLU A 78 -11.589 -10.542 3.850 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.909 -12.303 1.421 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.925 -13.169 2.665 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.938 -14.284 2.575 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -15.128 -14.032 2.846 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -13.551 -15.421 2.239 1.00 0.00 O ATOM 0 H GLU A 78 -10.238 -12.030 2.113 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.259 -10.382 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.927 -11.985 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.571 -12.903 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.934 -13.594 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.147 -12.549 3.534 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.303 -9.499 2.831 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.812 -8.863 4.026 1.00 0.00 C ATOM 1205 C VAL A 79 -15.290 -9.216 4.163 1.00 0.00 C ATOM 1206 O VAL A 79 -16.152 -8.603 3.528 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.610 -7.324 4.021 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.091 -6.701 2.718 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.302 -6.678 5.219 1.00 0.00 C ATOM 0 H VAL A 79 -13.796 -9.234 1.978 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.249 -9.234 4.882 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.540 -7.135 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.934 -5.623 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.531 -7.124 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.153 -6.909 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.145 -5.600 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.370 -6.890 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.885 -7.082 6.141 1.00 0.00 H new ATOM 1219 N SER A 80 -15.564 -10.244 4.960 1.00 0.00 N ATOM 1220 CA SER A 80 -16.914 -10.780 5.139 1.00 0.00 C ATOM 1221 C SER A 80 -17.638 -10.971 3.799 1.00 0.00 C ATOM 1222 O SER A 80 -18.550 -10.216 3.459 1.00 0.00 O ATOM 1223 CB SER A 80 -17.737 -9.886 6.083 1.00 0.00 C ATOM 1224 OG SER A 80 -17.722 -8.527 5.667 1.00 0.00 O ATOM 0 H SER A 80 -14.853 -10.733 5.504 1.00 0.00 H new ATOM 0 HA SER A 80 -16.813 -11.765 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.766 -10.244 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.338 -9.961 7.095 1.00 0.00 H new ATOM 0 HG SER A 80 -17.492 -8.479 4.716 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.201 -11.958 3.023 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.874 -12.276 1.776 1.00 0.00 C ATOM 1232 C GLY A 81 -17.456 -11.410 0.595 1.00 0.00 C ATOM 1233 O GLY A 81 -17.615 -11.818 -0.553 1.00 0.00 O ATOM 0 H GLY A 81 -16.393 -12.543 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.682 -13.321 1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.949 -12.175 1.922 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.934 -10.220 0.862 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.538 -9.309 -0.209 1.00 0.00 C ATOM 1239 C ARG A 82 -15.054 -9.457 -0.507 1.00 0.00 C ATOM 1240 O ARG A 82 -14.247 -9.537 0.407 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.856 -7.865 0.177 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.328 -7.644 0.473 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.651 -6.183 0.731 1.00 0.00 C ATOM 1244 NE ARG A 82 -20.090 -5.980 0.913 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.660 -4.803 1.176 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.920 -3.718 1.368 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.982 -4.715 1.266 1.00 0.00 N ATOM 0 H ARG A 82 -16.775 -9.863 1.804 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.102 -9.563 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.269 -7.591 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.550 -7.202 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.923 -8.002 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.614 -8.236 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.118 -5.842 1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.299 -5.578 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.698 -6.795 0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.903 -3.778 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.368 -2.824 1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.559 -5.546 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.421 -3.816 1.467 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.694 -9.474 -1.779 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.313 -9.724 -2.173 1.00 0.00 C ATOM 1263 C ILE A 83 -12.565 -8.410 -2.369 1.00 0.00 C ATOM 1264 O ILE A 83 -12.909 -7.611 -3.235 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.216 -10.578 -3.470 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.597 -12.044 -3.205 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.811 -10.507 -4.063 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.059 -12.271 -2.876 1.00 0.00 C ATOM 0 H ILE A 83 -15.335 -9.318 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.852 -10.291 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.924 -10.162 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.341 -12.636 -4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.991 -12.419 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.767 -11.112 -4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.570 -9.472 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.091 -10.887 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.233 -13.333 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.321 -11.711 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.676 -11.932 -3.708 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.549 -8.191 -1.551 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.730 -6.997 -1.650 1.00 0.00 C ATOM 1282 C ILE A 84 -9.524 -7.244 -2.546 1.00 0.00 C ATOM 1283 O ILE A 84 -8.849 -8.271 -2.442 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.229 -6.499 -0.278 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.867 -7.273 0.870 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.531 -5.027 -0.111 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.817 -6.510 2.172 1.00 0.00 C ATOM 0 H ILE A 84 -11.271 -8.830 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.372 -6.227 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.152 -6.663 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.905 -7.497 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.355 -8.228 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.172 -4.690 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.032 -4.462 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.607 -4.867 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.284 -7.102 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.779 -6.309 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.353 -5.567 2.062 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.262 -6.283 -3.407 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.196 -6.377 -4.384 1.00 0.00 C ATOM 1301 C HIS A 85 -7.170 -5.275 -4.131 1.00 0.00 C ATOM 1302 O HIS A 85 -7.402 -4.117 -4.474 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.799 -6.242 -5.786 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.877 -6.603 -6.909 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -7.913 -5.968 -8.127 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.921 -7.557 -7.013 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.024 -6.512 -8.933 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.405 -7.480 -8.284 1.00 0.00 N ATOM 0 H HIS A 85 -9.786 -5.409 -3.449 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.693 -7.340 -4.301 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.685 -6.874 -5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.131 -5.213 -5.925 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.532 -5.195 -8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.620 -8.249 -6.241 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.834 -6.215 -9.954 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.048 -5.629 -3.519 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.042 -4.640 -3.156 1.00 0.00 C ATOM 1319 C LEU A 86 -3.979 -4.516 -4.237 1.00 0.00 C ATOM 1320 O LEU A 86 -3.440 -5.517 -4.710 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.385 -4.987 -1.813 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.230 -4.694 -0.570 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.218 -5.818 -0.299 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.332 -4.453 0.633 1.00 0.00 C ATOM 0 H LEU A 86 -5.812 -6.588 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.550 -3.681 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.130 -6.047 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.449 -4.434 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.808 -3.789 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.804 -5.581 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.885 -5.930 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.675 -6.749 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.946 -4.246 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.724 -5.339 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.681 -3.601 0.436 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.703 -3.280 -4.631 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.671 -2.987 -5.620 1.00 0.00 C ATOM 1338 C HIS A 87 -1.514 -2.260 -4.946 1.00 0.00 C ATOM 1339 O HIS A 87 -1.689 -1.139 -4.477 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.216 -2.087 -6.740 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.472 -2.568 -7.397 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.491 -3.169 -8.635 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.765 -2.485 -7.001 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.738 -3.430 -8.977 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.530 -3.027 -8.001 1.00 0.00 N ATOM 0 H HIS A 87 -4.185 -2.454 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.339 -3.932 -6.049 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.399 -1.094 -6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.445 -1.979 -7.503 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.125 -2.070 -6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.057 -3.894 -9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.547 -3.106 -7.992 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.345 -2.879 -4.894 1.00 0.00 N ATOM 1355 CA ALA A 88 0.817 -2.240 -4.288 1.00 0.00 C ATOM 1356 C ALA A 88 1.615 -1.480 -5.336 1.00 0.00 C ATOM 1357 O ALA A 88 2.119 -2.069 -6.290 1.00 0.00 O ATOM 1358 CB ALA A 88 1.703 -3.265 -3.595 1.00 0.00 C ATOM 0 H ALA A 88 -0.174 -3.815 -5.260 1.00 0.00 H new ATOM 0 HA ALA A 88 0.459 -1.534 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.562 -2.762 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.134 -3.769 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.048 -3.999 -4.323 1.00 0.00 H new ATOM 1364 N TRP A 89 1.722 -0.179 -5.154 1.00 0.00 N ATOM 1365 CA TRP A 89 2.434 0.678 -6.085 1.00 0.00 C ATOM 1366 C TRP A 89 3.680 1.268 -5.431 1.00 0.00 C ATOM 1367 O TRP A 89 3.630 1.753 -4.300 1.00 0.00 O ATOM 1368 CB TRP A 89 1.486 1.779 -6.585 1.00 0.00 C ATOM 1369 CG TRP A 89 2.165 3.049 -6.999 1.00 0.00 C ATOM 1370 CD1 TRP A 89 3.027 3.227 -8.039 1.00 0.00 C ATOM 1371 CD2 TRP A 89 2.012 4.330 -6.382 1.00 0.00 C ATOM 1372 NE1 TRP A 89 3.441 4.536 -8.089 1.00 0.00 N ATOM 1373 CE2 TRP A 89 2.826 5.234 -7.083 1.00 0.00 C ATOM 1374 CE3 TRP A 89 1.270 4.796 -5.295 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 2.914 6.577 -6.735 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 1.356 6.128 -4.953 1.00 0.00 C ATOM 1377 CH2 TRP A 89 2.174 7.005 -5.670 1.00 0.00 C ATOM 0 H TRP A 89 1.319 0.315 -4.358 1.00 0.00 H new ATOM 0 HA TRP A 89 2.768 0.089 -6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.918 1.394 -7.432 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.768 2.007 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.339 2.452 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.099 4.925 -8.765 1.00 0.00 H new ATOM 0 HE3 TRP A 89 0.639 4.124 -4.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 3.545 7.258 -7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 0.782 6.500 -4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.222 8.043 -5.376 1.00 0.00 H new ATOM 1388 N HIS A 90 4.800 1.200 -6.143 1.00 0.00 N ATOM 1389 CA HIS A 90 6.049 1.790 -5.681 1.00 0.00 C ATOM 1390 C HIS A 90 6.104 3.239 -6.128 1.00 0.00 C ATOM 1391 O HIS A 90 5.988 3.523 -7.316 1.00 0.00 O ATOM 1392 CB HIS A 90 7.250 1.011 -6.246 1.00 0.00 C ATOM 1393 CG HIS A 90 8.591 1.616 -5.934 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.536 1.887 -6.898 1.00 0.00 N ATOM 1395 CD2 HIS A 90 9.150 1.983 -4.757 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.612 2.391 -6.330 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.408 2.461 -5.031 1.00 0.00 N ATOM 0 H HIS A 90 4.867 0.738 -7.050 1.00 0.00 H new ATOM 0 HA HIS A 90 6.094 1.741 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.224 -0.005 -5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.142 0.937 -7.328 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.420 1.723 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.691 1.913 -3.782 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.512 2.696 -6.844 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.074 2.812 -4.343 1.00 0.00 H new ATOM 1406 N VAL A 91 6.315 4.143 -5.188 1.00 0.00 N ATOM 1407 CA VAL A 91 6.265 5.566 -5.485 1.00 0.00 C ATOM 1408 C VAL A 91 7.626 6.054 -5.957 1.00 0.00 C ATOM 1409 O VAL A 91 8.566 6.154 -5.172 1.00 0.00 O ATOM 1410 CB VAL A 91 5.856 6.382 -4.239 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.637 7.845 -4.593 1.00 0.00 C ATOM 1412 CG2 VAL A 91 4.613 5.796 -3.589 1.00 0.00 C ATOM 0 H VAL A 91 6.522 3.919 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 91 5.522 5.711 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 91 6.674 6.326 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.350 8.397 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.559 8.263 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.845 7.925 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.346 6.389 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.789 5.810 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.812 4.769 -3.284 1.00 0.00 H new ATOM 1422 N PRO A 92 7.747 6.353 -7.255 1.00 0.00 N ATOM 1423 CA PRO A 92 8.995 6.825 -7.841 1.00 0.00 C ATOM 1424 C PRO A 92 9.190 8.324 -7.629 1.00 0.00 C ATOM 1425 O PRO A 92 10.310 8.836 -7.687 1.00 0.00 O ATOM 1426 CB PRO A 92 8.812 6.502 -9.325 1.00 0.00 C ATOM 1427 CG PRO A 92 7.342 6.623 -9.558 1.00 0.00 C ATOM 1428 CD PRO A 92 6.670 6.252 -8.261 1.00 0.00 C ATOM 0 HA PRO A 92 9.875 6.361 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.371 7.195 -9.953 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.169 5.499 -9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.079 7.638 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.021 5.962 -10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 92 5.846 6.927 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.255 5.245 -8.301 1.00 0.00 H new ATOM 1436 N ASP A 93 8.089 9.018 -7.373 1.00 0.00 N ATOM 1437 CA ASP A 93 8.109 10.465 -7.222 1.00 0.00 C ATOM 1438 C ASP A 93 6.897 10.936 -6.432 1.00 0.00 C ATOM 1439 O ASP A 93 5.784 10.452 -6.633 1.00 0.00 O ATOM 1440 CB ASP A 93 8.113 11.128 -8.598 1.00 0.00 C ATOM 1441 CG ASP A 93 7.966 12.634 -8.543 1.00 0.00 C ATOM 1442 OD1 ASP A 93 8.973 13.326 -8.293 1.00 0.00 O ATOM 1443 OD2 ASP A 93 6.844 13.131 -8.774 1.00 0.00 O ATOM 0 H ASP A 93 7.166 8.598 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 93 9.012 10.745 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.043 10.880 -9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.301 10.713 -9.195 1.00 0.00 H new ATOM 1448 N PHE A 94 7.135 11.866 -5.531 1.00 0.00 N ATOM 1449 CA PHE A 94 6.077 12.459 -4.722 1.00 0.00 C ATOM 1450 C PHE A 94 6.444 13.898 -4.363 1.00 0.00 C ATOM 1451 O PHE A 94 7.607 14.198 -4.081 1.00 0.00 O ATOM 1452 CB PHE A 94 5.821 11.631 -3.448 1.00 0.00 C ATOM 1453 CG PHE A 94 7.022 11.476 -2.553 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.022 10.562 -2.854 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.148 12.245 -1.408 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.123 10.422 -2.031 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.246 12.110 -0.582 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.236 11.198 -0.893 1.00 0.00 C ATOM 0 H PHE A 94 8.065 12.236 -5.335 1.00 0.00 H new ATOM 0 HA PHE A 94 5.156 12.462 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.018 12.101 -2.880 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.469 10.641 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.939 9.953 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.378 12.959 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.894 9.707 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.331 12.717 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.096 11.092 -0.248 1.00 0.00 H new ATOM 1468 N HIS A 95 5.460 14.788 -4.396 1.00 0.00 N ATOM 1469 CA HIS A 95 5.697 16.202 -4.132 1.00 0.00 C ATOM 1470 C HIS A 95 5.012 16.626 -2.842 1.00 0.00 C ATOM 1471 O HIS A 95 3.884 16.223 -2.571 1.00 0.00 O ATOM 1472 CB HIS A 95 5.187 17.041 -5.310 1.00 0.00 C ATOM 1473 CG HIS A 95 5.851 16.690 -6.607 1.00 0.00 C ATOM 1474 ND1 HIS A 95 7.046 17.235 -7.025 1.00 0.00 N ATOM 1475 CD2 HIS A 95 5.493 15.805 -7.564 1.00 0.00 C ATOM 1476 CE1 HIS A 95 7.389 16.695 -8.179 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.465 15.821 -8.529 1.00 0.00 N ATOM 0 H HIS A 95 4.489 14.555 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 95 6.769 16.365 -4.017 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.111 16.902 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.353 18.097 -5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.602 15.195 -7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.279 16.930 -8.744 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.473 15.253 -9.376 1.00 0.00 H new ATOM 1486 N GLY A 96 5.695 17.431 -2.049 1.00 0.00 N ATOM 1487 CA GLY A 96 5.157 17.845 -0.770 1.00 0.00 C ATOM 1488 C GLY A 96 5.891 17.184 0.376 1.00 0.00 C ATOM 1489 O GLY A 96 7.002 16.684 0.194 1.00 0.00 O ATOM 0 H GLY A 96 6.617 17.808 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.231 18.928 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.098 17.593 -0.720 1.00 0.00 H new ATOM 1493 N THR A 97 5.286 17.172 1.552 1.00 0.00 N ATOM 1494 CA THR A 97 5.902 16.564 2.709 1.00 0.00 C ATOM 1495 C THR A 97 4.980 15.510 3.291 1.00 0.00 C ATOM 1496 O THR A 97 3.805 15.774 3.534 1.00 0.00 O ATOM 1497 CB THR A 97 6.232 17.624 3.775 1.00 0.00 C ATOM 1498 OG1 THR A 97 6.997 18.676 3.174 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.020 17.015 4.925 1.00 0.00 C ATOM 0 H THR A 97 4.367 17.579 1.726 1.00 0.00 H new ATOM 0 HA THR A 97 6.834 16.093 2.396 1.00 0.00 H new ATOM 0 HB THR A 97 5.297 18.020 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.208 19.354 3.849 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.240 17.786 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.432 16.224 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.953 16.599 4.546 1.00 0.00 H new ATOM 1507 N LEU A 98 5.517 14.318 3.506 1.00 0.00 N ATOM 1508 CA LEU A 98 4.709 13.203 3.962 1.00 0.00 C ATOM 1509 C LEU A 98 4.441 13.297 5.451 1.00 0.00 C ATOM 1510 O LEU A 98 5.362 13.377 6.270 1.00 0.00 O ATOM 1511 CB LEU A 98 5.341 11.861 3.580 1.00 0.00 C ATOM 1512 CG LEU A 98 6.870 11.825 3.549 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.440 11.490 4.920 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.337 10.829 2.505 1.00 0.00 C ATOM 0 H LEU A 98 6.505 14.101 3.372 1.00 0.00 H new ATOM 0 HA LEU A 98 3.746 13.258 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.994 11.105 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.970 11.574 2.596 1.00 0.00 H new ATOM 0 HG LEU A 98 7.238 12.815 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.529 11.472 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.125 12.245 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.076 10.513 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.427 10.806 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.957 9.838 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.963 11.126 1.525 1.00 0.00 H new ATOM 1526 N GLN A 99 3.166 13.319 5.776 1.00 0.00 N ATOM 1527 CA GLN A 99 2.710 13.450 7.141 1.00 0.00 C ATOM 1528 C GLN A 99 1.592 12.437 7.389 1.00 0.00 C ATOM 1529 O GLN A 99 1.105 11.816 6.449 1.00 0.00 O ATOM 1530 CB GLN A 99 2.229 14.887 7.379 1.00 0.00 C ATOM 1531 CG GLN A 99 0.967 15.251 6.613 1.00 0.00 C ATOM 1532 CD GLN A 99 0.525 16.679 6.862 1.00 0.00 C ATOM 1533 OE1 GLN A 99 1.341 17.565 7.116 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -0.773 16.911 6.791 1.00 0.00 N ATOM 0 H GLN A 99 2.411 13.246 5.094 1.00 0.00 H new ATOM 0 HA GLN A 99 3.522 13.246 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.048 15.027 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.024 15.577 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.140 15.109 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.164 14.571 6.899 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.416 16.149 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.132 17.852 6.949 1.00 0.00 H new ATOM 1543 N ALA A 100 1.205 12.247 8.639 1.00 0.00 N ATOM 1544 CA ALA A 100 0.149 11.293 8.957 1.00 0.00 C ATOM 1545 C ALA A 100 -1.141 11.997 9.366 1.00 0.00 C ATOM 1546 O ALA A 100 -1.153 12.805 10.294 1.00 0.00 O ATOM 1547 CB ALA A 100 0.601 10.337 10.051 1.00 0.00 C ATOM 0 H ALA A 100 1.599 12.733 9.444 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.057 10.720 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.201 9.633 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.481 9.789 9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.847 10.903 10.950 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.222 11.690 8.656 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.540 12.229 8.968 1.00 0.00 C ATOM 1555 C HIS A 101 -4.323 11.244 9.836 1.00 0.00 C ATOM 1556 O HIS A 101 -4.544 11.485 11.022 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.295 12.527 7.661 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.746 12.874 7.829 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.767 12.100 7.314 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.346 13.923 8.438 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.925 12.658 7.600 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.700 13.764 8.281 1.00 0.00 N ATOM 0 H HIS A 101 -2.209 11.063 7.851 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.428 13.157 9.529 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.797 13.352 7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.219 11.657 7.009 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.644 11.232 6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.851 14.734 8.952 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.896 12.274 7.323 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.738 10.138 9.235 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.479 9.106 9.942 1.00 0.00 C ATOM 1573 C GLU A 102 -4.552 8.207 10.745 1.00 0.00 C ATOM 1574 O GLU A 102 -4.906 7.747 11.830 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.283 8.275 8.948 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.602 8.918 8.551 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.471 9.239 9.746 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.230 8.354 10.192 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.407 10.379 10.245 1.00 0.00 O ATOM 0 H GLU A 102 -4.571 9.932 8.250 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.157 9.595 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.683 8.112 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.481 7.295 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.403 9.833 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.142 8.248 7.882 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.362 7.970 10.216 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.399 7.105 10.884 1.00 0.00 C ATOM 1588 C HIS A 103 -1.672 7.892 11.965 1.00 0.00 C ATOM 1589 O HIS A 103 -1.740 9.121 11.995 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.395 6.511 9.887 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.018 5.702 8.779 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.623 6.264 7.671 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.111 4.361 8.608 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.056 5.301 6.874 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.756 4.142 7.419 1.00 0.00 N ATOM 0 H HIS A 103 -3.040 8.361 9.331 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.939 6.275 11.340 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.817 7.323 9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.693 5.879 10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.744 3.604 9.285 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.569 5.443 5.934 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.969 3.228 7.021 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.969 7.192 12.842 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.330 7.830 13.984 1.00 0.00 C ATOM 1606 C GLN A 104 1.019 8.437 13.605 1.00 0.00 C ATOM 1607 O GLN A 104 1.178 9.657 13.583 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.147 6.823 15.117 1.00 0.00 C ATOM 1609 CG GLN A 104 0.425 7.435 16.383 1.00 0.00 C ATOM 1610 CD GLN A 104 0.757 6.395 17.431 1.00 0.00 C ATOM 1611 OE1 GLN A 104 0.121 5.345 17.505 1.00 0.00 O ATOM 1612 NE2 GLN A 104 1.765 6.669 18.239 1.00 0.00 N ATOM 0 H GLN A 104 -0.826 6.184 12.786 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.981 8.638 14.319 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.110 6.367 15.346 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.512 6.023 14.779 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.325 7.997 16.136 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.292 8.145 16.795 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.268 7.551 18.146 1.00 0.00 H new ATOM 0 HE22 GLN A 104 2.041 5.998 18.956 1.00 0.00 H new ATOM 1621 N ALA A 105 1.987 7.582 13.308 1.00 0.00 N ATOM 1622 CA ALA A 105 3.337 8.036 13.003 1.00 0.00 C ATOM 1623 C ALA A 105 3.897 7.285 11.806 1.00 0.00 C ATOM 1624 O ALA A 105 3.345 6.261 11.398 1.00 0.00 O ATOM 1625 CB ALA A 105 4.241 7.857 14.214 1.00 0.00 C ATOM 0 H ALA A 105 1.863 6.570 13.272 1.00 0.00 H new ATOM 0 HA ALA A 105 3.296 9.096 12.753 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.247 8.200 13.971 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.850 8.439 15.049 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.274 6.803 14.491 1.00 0.00 H new ATOM 1631 N LEU A 106 4.993 7.791 11.254 1.00 0.00 N ATOM 1632 CA LEU A 106 5.614 7.199 10.079 1.00 0.00 C ATOM 1633 C LEU A 106 7.005 6.693 10.437 1.00 0.00 C ATOM 1634 O LEU A 106 7.727 7.341 11.194 1.00 0.00 O ATOM 1635 CB LEU A 106 5.751 8.223 8.932 1.00 0.00 C ATOM 1636 CG LEU A 106 4.474 8.943 8.470 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.315 7.969 8.315 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.113 10.079 9.416 1.00 0.00 C ATOM 0 H LEU A 106 5.473 8.619 11.607 1.00 0.00 H new ATOM 0 HA LEU A 106 4.976 6.380 9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.472 8.980 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.178 7.709 8.071 1.00 0.00 H new ATOM 0 HG LEU A 106 4.675 9.375 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.427 8.509 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.573 7.212 7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.114 7.487 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.206 10.571 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.945 9.680 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.929 10.801 9.445 1.00 0.00 H new ATOM 1650 N VAL A 107 7.378 5.541 9.914 1.00 0.00 N ATOM 1651 CA VAL A 107 8.734 5.048 10.084 1.00 0.00 C ATOM 1652 C VAL A 107 9.307 4.622 8.737 1.00 0.00 C ATOM 1653 O VAL A 107 8.601 4.055 7.902 1.00 0.00 O ATOM 1654 CB VAL A 107 8.813 3.871 11.092 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.226 2.591 10.508 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.248 3.648 11.549 1.00 0.00 C ATOM 0 H VAL A 107 6.767 4.931 9.371 1.00 0.00 H new ATOM 0 HA VAL A 107 9.327 5.865 10.495 1.00 0.00 H new ATOM 0 HB VAL A 107 8.212 4.141 11.961 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.299 1.789 11.243 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.179 2.755 10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.780 2.313 9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.280 2.818 12.255 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.872 3.415 10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.620 4.551 12.033 1.00 0.00 H new ATOM 1666 N TRP A 108 10.570 4.943 8.512 1.00 0.00 N ATOM 1667 CA TRP A 108 11.268 4.509 7.315 1.00 0.00 C ATOM 1668 C TRP A 108 12.160 3.321 7.631 1.00 0.00 C ATOM 1669 O TRP A 108 13.120 3.439 8.396 1.00 0.00 O ATOM 1670 CB TRP A 108 12.118 5.645 6.745 1.00 0.00 C ATOM 1671 CG TRP A 108 11.316 6.790 6.213 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.829 7.850 6.920 1.00 0.00 C ATOM 1673 CD2 TRP A 108 10.915 6.990 4.856 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.144 8.697 6.084 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.183 8.190 4.810 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.103 6.268 3.674 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 9.642 8.684 3.626 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 10.566 6.759 2.500 1.00 0.00 C ATOM 1679 CH2 TRP A 108 9.843 7.957 2.483 1.00 0.00 C ATOM 0 H TRP A 108 11.135 5.506 9.147 1.00 0.00 H new ATOM 0 HA TRP A 108 10.524 4.217 6.574 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.786 6.012 7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.746 5.251 5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.963 8.001 7.981 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.682 9.562 6.365 1.00 0.00 H new ATOM 0 HE3 TRP A 108 11.659 5.342 3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.083 9.608 3.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.706 6.210 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 108 9.435 8.316 1.549 1.00 0.00 H new ATOM 1690 N CYS A 109 11.840 2.176 7.057 1.00 0.00 N ATOM 1691 CA CYS A 109 12.654 0.988 7.251 1.00 0.00 C ATOM 1692 C CYS A 109 12.864 0.276 5.925 1.00 0.00 C ATOM 1693 O CYS A 109 12.033 0.370 5.027 1.00 0.00 O ATOM 1694 CB CYS A 109 12.016 0.049 8.281 1.00 0.00 C ATOM 1695 SG CYS A 109 10.341 -0.483 7.873 1.00 0.00 S ATOM 0 H CYS A 109 11.027 2.042 6.456 1.00 0.00 H new ATOM 0 HA CYS A 109 13.626 1.294 7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.647 -0.833 8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.999 0.550 9.249 1.00 0.00 H new ATOM 0 HG CYS A 109 9.908 -1.296 8.791 1.00 0.00 H new ATOM 1701 N SER A 110 13.970 -0.435 5.814 1.00 0.00 N ATOM 1702 CA SER A 110 14.338 -1.098 4.573 1.00 0.00 C ATOM 1703 C SER A 110 13.421 -2.304 4.320 1.00 0.00 C ATOM 1704 O SER A 110 12.753 -2.771 5.242 1.00 0.00 O ATOM 1705 CB SER A 110 15.802 -1.524 4.660 1.00 0.00 C ATOM 1706 OG SER A 110 16.618 -0.431 5.051 1.00 0.00 O ATOM 0 H SER A 110 14.636 -0.570 6.575 1.00 0.00 H new ATOM 0 HA SER A 110 14.216 -0.413 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.907 -2.338 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.133 -1.905 3.694 1.00 0.00 H new ATOM 0 HG SER A 110 17.552 -0.722 5.103 1.00 0.00 H new ATOM 1712 N PRO A 111 13.360 -2.809 3.069 1.00 0.00 N ATOM 1713 CA PRO A 111 12.469 -3.917 2.689 1.00 0.00 C ATOM 1714 C PRO A 111 12.509 -5.103 3.656 1.00 0.00 C ATOM 1715 O PRO A 111 11.471 -5.532 4.163 1.00 0.00 O ATOM 1716 CB PRO A 111 12.976 -4.342 1.299 1.00 0.00 C ATOM 1717 CG PRO A 111 14.236 -3.573 1.068 1.00 0.00 C ATOM 1718 CD PRO A 111 14.139 -2.342 1.917 1.00 0.00 C ATOM 0 HA PRO A 111 11.428 -3.594 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 111 13.162 -5.415 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 111 12.237 -4.120 0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 111 15.109 -4.166 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 111 14.345 -3.312 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.122 -1.976 2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.640 -1.527 1.394 1.00 0.00 H new ATOM 1726 N GLU A 112 13.701 -5.621 3.929 1.00 0.00 N ATOM 1727 CA GLU A 112 13.833 -6.789 4.795 1.00 0.00 C ATOM 1728 C GLU A 112 13.489 -6.447 6.244 1.00 0.00 C ATOM 1729 O GLU A 112 13.103 -7.320 7.019 1.00 0.00 O ATOM 1730 CB GLU A 112 15.234 -7.416 4.704 1.00 0.00 C ATOM 1731 CG GLU A 112 16.387 -6.457 4.965 1.00 0.00 C ATOM 1732 CD GLU A 112 16.673 -5.548 3.790 1.00 0.00 C ATOM 1733 OE1 GLU A 112 17.371 -5.982 2.850 1.00 0.00 O ATOM 1734 OE2 GLU A 112 16.205 -4.396 3.806 1.00 0.00 O ATOM 0 H GLU A 112 14.582 -5.256 3.568 1.00 0.00 H new ATOM 0 HA GLU A 112 13.117 -7.530 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.295 -8.237 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.358 -7.848 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.157 -5.850 5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.284 -7.030 5.201 1.00 0.00 H new ATOM 1741 N GLU A 113 13.621 -5.177 6.601 1.00 0.00 N ATOM 1742 CA GLU A 113 13.207 -4.709 7.919 1.00 0.00 C ATOM 1743 C GLU A 113 11.689 -4.676 8.027 1.00 0.00 C ATOM 1744 O GLU A 113 11.122 -5.113 9.025 1.00 0.00 O ATOM 1745 CB GLU A 113 13.767 -3.313 8.199 1.00 0.00 C ATOM 1746 CG GLU A 113 15.217 -3.310 8.651 1.00 0.00 C ATOM 1747 CD GLU A 113 15.402 -3.991 9.992 1.00 0.00 C ATOM 1748 OE1 GLU A 113 14.822 -3.514 10.993 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.132 -5.002 10.052 1.00 0.00 O ATOM 0 H GLU A 113 14.011 -4.452 5.998 1.00 0.00 H new ATOM 0 HA GLU A 113 13.602 -5.406 8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.677 -2.709 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.157 -2.835 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.830 -3.813 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.573 -2.282 8.716 1.00 0.00 H new ATOM 1756 N ALA A 114 11.042 -4.189 6.971 1.00 0.00 N ATOM 1757 CA ALA A 114 9.601 -3.954 6.977 1.00 0.00 C ATOM 1758 C ALA A 114 8.813 -5.225 7.256 1.00 0.00 C ATOM 1759 O ALA A 114 7.819 -5.199 7.979 1.00 0.00 O ATOM 1760 CB ALA A 114 9.161 -3.352 5.650 1.00 0.00 C ATOM 0 H ALA A 114 11.499 -3.947 6.092 1.00 0.00 H new ATOM 0 HA ALA A 114 9.391 -3.253 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.085 -3.181 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.676 -2.405 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.407 -4.038 4.840 1.00 0.00 H new ATOM 1766 N LEU A 115 9.264 -6.337 6.699 1.00 0.00 N ATOM 1767 CA LEU A 115 8.553 -7.598 6.842 1.00 0.00 C ATOM 1768 C LEU A 115 8.782 -8.195 8.231 1.00 0.00 C ATOM 1769 O LEU A 115 8.148 -9.178 8.610 1.00 0.00 O ATOM 1770 CB LEU A 115 8.986 -8.574 5.739 1.00 0.00 C ATOM 1771 CG LEU A 115 7.856 -9.393 5.089 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.517 -10.621 5.916 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.606 -8.540 4.910 1.00 0.00 C ATOM 0 H LEU A 115 10.118 -6.393 6.144 1.00 0.00 H new ATOM 0 HA LEU A 115 7.484 -7.413 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.495 -8.008 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.716 -9.266 6.158 1.00 0.00 H new ATOM 0 HG LEU A 115 8.212 -9.719 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.716 -11.177 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.399 -11.256 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.193 -10.312 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.820 -9.138 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.267 -8.183 5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.836 -7.688 4.270 1.00 0.00 H new ATOM 1785 N GLN A 116 9.685 -7.590 8.994 1.00 0.00 N ATOM 1786 CA GLN A 116 9.898 -7.985 10.380 1.00 0.00 C ATOM 1787 C GLN A 116 9.051 -7.126 11.307 1.00 0.00 C ATOM 1788 O GLN A 116 9.065 -7.301 12.524 1.00 0.00 O ATOM 1789 CB GLN A 116 11.366 -7.857 10.773 1.00 0.00 C ATOM 1790 CG GLN A 116 12.302 -8.756 9.990 1.00 0.00 C ATOM 1791 CD GLN A 116 13.708 -8.733 10.550 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.527 -7.899 10.172 1.00 0.00 O ATOM 1793 NE2 GLN A 116 13.996 -9.651 11.458 1.00 0.00 N ATOM 0 H GLN A 116 10.280 -6.825 8.676 1.00 0.00 H new ATOM 0 HA GLN A 116 9.603 -9.030 10.476 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.677 -6.821 10.637 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.467 -8.083 11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 116 11.922 -9.777 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.322 -8.439 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.286 -10.325 11.744 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.928 -9.684 11.872 1.00 0.00 H new ATOM 1802 N TYR A 117 8.328 -6.187 10.721 1.00 0.00 N ATOM 1803 CA TYR A 117 7.414 -5.347 11.473 1.00 0.00 C ATOM 1804 C TYR A 117 6.016 -5.939 11.419 1.00 0.00 C ATOM 1805 O TYR A 117 5.713 -6.746 10.536 1.00 0.00 O ATOM 1806 CB TYR A 117 7.407 -3.916 10.922 1.00 0.00 C ATOM 1807 CG TYR A 117 8.567 -3.073 11.403 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.830 -3.223 10.853 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.398 -2.126 12.405 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.896 -2.460 11.287 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.458 -1.357 12.844 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.705 -1.529 12.281 1.00 0.00 C ATOM 1813 OH TYR A 117 11.765 -0.770 12.721 1.00 0.00 O ATOM 0 H TYR A 117 8.357 -5.987 9.721 1.00 0.00 H new ATOM 0 HA TYR A 117 7.749 -5.307 12.509 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.425 -3.956 9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.474 -3.431 11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.984 -3.951 10.070 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.423 -1.989 12.848 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.874 -2.594 10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.311 -0.625 13.624 1.00 0.00 H new ATOM 0 HH TYR A 117 11.461 -0.160 13.425 1.00 0.00 H new ATOM 1823 N PRO A 118 5.151 -5.574 12.373 1.00 0.00 N ATOM 1824 CA PRO A 118 3.771 -6.050 12.395 1.00 0.00 C ATOM 1825 C PRO A 118 2.926 -5.418 11.288 1.00 0.00 C ATOM 1826 O PRO A 118 2.147 -4.496 11.531 1.00 0.00 O ATOM 1827 CB PRO A 118 3.271 -5.628 13.778 1.00 0.00 C ATOM 1828 CG PRO A 118 4.107 -4.452 14.140 1.00 0.00 C ATOM 1829 CD PRO A 118 5.452 -4.686 13.512 1.00 0.00 C ATOM 0 HA PRO A 118 3.701 -7.124 12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.213 -5.369 13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.386 -6.434 14.503 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.660 -3.528 13.771 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.194 -4.354 15.222 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.909 -3.753 13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.146 -5.152 14.212 1.00 0.00 H new ATOM 1837 N LEU A 119 3.125 -5.896 10.068 1.00 0.00 N ATOM 1838 CA LEU A 119 2.349 -5.444 8.924 1.00 0.00 C ATOM 1839 C LEU A 119 1.009 -6.164 8.883 1.00 0.00 C ATOM 1840 O LEU A 119 0.886 -7.281 9.389 1.00 0.00 O ATOM 1841 CB LEU A 119 3.116 -5.703 7.621 1.00 0.00 C ATOM 1842 CG LEU A 119 4.355 -4.834 7.392 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.028 -5.209 6.081 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.981 -3.359 7.393 1.00 0.00 C ATOM 0 H LEU A 119 3.825 -6.604 9.845 1.00 0.00 H new ATOM 0 HA LEU A 119 2.177 -4.372 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.421 -6.749 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.433 -5.556 6.784 1.00 0.00 H new ATOM 0 HG LEU A 119 5.057 -5.011 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.908 -4.583 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.329 -6.256 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.330 -5.057 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.875 -2.757 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.262 -3.165 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.538 -3.097 8.354 1.00 0.00 H new ATOM 1856 N ALA A 120 0.008 -5.522 8.300 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.301 -6.139 8.144 1.00 0.00 C ATOM 1858 C ALA A 120 -1.200 -7.382 7.259 1.00 0.00 C ATOM 1859 O ALA A 120 -0.301 -7.482 6.422 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.292 -5.138 7.564 1.00 0.00 C ATOM 0 H ALA A 120 0.077 -4.575 7.927 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.663 -6.448 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.267 -5.613 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.380 -4.283 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.940 -4.800 6.589 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.116 -8.350 7.433 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.091 -9.622 6.689 1.00 0.00 C ATOM 1868 C PRO A 121 -2.115 -9.445 5.165 1.00 0.00 C ATOM 1869 O PRO A 121 -1.745 -10.354 4.420 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.354 -10.352 7.164 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.194 -9.311 7.827 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.239 -8.297 8.382 1.00 0.00 C ATOM 0 HA PRO A 121 -1.166 -10.165 6.882 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.882 -10.807 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.105 -11.155 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.879 -8.852 7.115 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.803 -9.748 8.619 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.685 -7.303 8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.925 -8.550 9.395 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.540 -8.279 4.701 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.577 -8.003 3.272 1.00 0.00 C ATOM 1882 C ALA A 122 -1.267 -7.382 2.805 1.00 0.00 C ATOM 1883 O ALA A 122 -0.900 -7.494 1.636 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.735 -7.082 2.934 1.00 0.00 C ATOM 0 H ALA A 122 -2.863 -7.512 5.290 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.718 -8.951 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.745 -6.888 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.673 -7.555 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.620 -6.141 3.472 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.562 -6.758 3.738 1.00 0.00 N ATOM 1891 CA ASP A 123 0.664 -6.023 3.440 1.00 0.00 C ATOM 1892 C ASP A 123 1.846 -6.973 3.343 1.00 0.00 C ATOM 1893 O ASP A 123 2.852 -6.672 2.699 1.00 0.00 O ATOM 1894 CB ASP A 123 0.937 -4.981 4.530 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.116 -3.885 4.582 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.315 -4.216 4.723 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.254 -2.698 4.483 1.00 0.00 O ATOM 0 H ASP A 123 -0.822 -6.746 4.724 1.00 0.00 H new ATOM 0 HA ASP A 123 0.533 -5.519 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.983 -5.480 5.498 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.914 -4.530 4.357 1.00 0.00 H new ATOM 1902 N ILE A 124 1.707 -8.134 3.969 1.00 0.00 N ATOM 1903 CA ILE A 124 2.778 -9.122 4.002 1.00 0.00 C ATOM 1904 C ILE A 124 3.129 -9.604 2.585 1.00 0.00 C ATOM 1905 O ILE A 124 4.260 -9.422 2.143 1.00 0.00 O ATOM 1906 CB ILE A 124 2.411 -10.326 4.903 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.161 -9.867 6.345 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.506 -11.386 4.863 1.00 0.00 C ATOM 1909 CD1 ILE A 124 3.370 -9.247 7.011 1.00 0.00 C ATOM 0 H ILE A 124 0.860 -8.416 4.463 1.00 0.00 H new ATOM 0 HA ILE A 124 3.654 -8.635 4.429 1.00 0.00 H new ATOM 0 HB ILE A 124 1.492 -10.769 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.346 -9.144 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.832 -10.722 6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.226 -12.222 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.633 -11.739 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.443 -10.955 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.113 -8.949 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.182 -9.974 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.688 -8.371 6.445 1.00 0.00 H new ATOM 1921 N PRO A 125 2.164 -10.194 1.837 1.00 0.00 N ATOM 1922 CA PRO A 125 2.415 -10.694 0.476 1.00 0.00 C ATOM 1923 C PRO A 125 2.883 -9.596 -0.478 1.00 0.00 C ATOM 1924 O PRO A 125 3.575 -9.869 -1.459 1.00 0.00 O ATOM 1925 CB PRO A 125 1.056 -11.253 0.025 1.00 0.00 C ATOM 1926 CG PRO A 125 0.056 -10.655 0.951 1.00 0.00 C ATOM 1927 CD PRO A 125 0.770 -10.434 2.251 1.00 0.00 C ATOM 0 HA PRO A 125 3.214 -11.436 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.844 -10.983 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.041 -12.341 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.330 -9.716 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.798 -11.319 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.360 -9.583 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.689 -11.301 2.907 1.00 0.00 H new ATOM 1935 N LEU A 126 2.514 -8.357 -0.180 1.00 0.00 N ATOM 1936 CA LEU A 126 2.895 -7.227 -1.014 1.00 0.00 C ATOM 1937 C LEU A 126 4.354 -6.865 -0.778 1.00 0.00 C ATOM 1938 O LEU A 126 5.114 -6.660 -1.724 1.00 0.00 O ATOM 1939 CB LEU A 126 1.997 -6.021 -0.724 1.00 0.00 C ATOM 1940 CG LEU A 126 0.502 -6.244 -0.967 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.291 -5.006 -0.581 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.242 -6.610 -2.422 1.00 0.00 C ATOM 0 H LEU A 126 1.951 -8.110 0.634 1.00 0.00 H new ATOM 0 HA LEU A 126 2.769 -7.510 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.139 -5.725 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.328 -5.186 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 126 0.174 -7.074 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.352 -5.183 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.133 -4.787 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.042 -4.159 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.826 -6.764 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.587 -5.802 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.779 -7.526 -2.668 1.00 0.00 H new ATOM 1954 N LEU A 127 4.744 -6.803 0.490 1.00 0.00 N ATOM 1955 CA LEU A 127 6.119 -6.484 0.844 1.00 0.00 C ATOM 1956 C LEU A 127 7.027 -7.657 0.494 1.00 0.00 C ATOM 1957 O LEU A 127 8.166 -7.459 0.064 1.00 0.00 O ATOM 1958 CB LEU A 127 6.230 -6.132 2.335 1.00 0.00 C ATOM 1959 CG LEU A 127 7.545 -5.461 2.773 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.693 -6.459 2.866 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.905 -4.341 1.813 1.00 0.00 C ATOM 0 H LEU A 127 4.129 -6.969 1.286 1.00 0.00 H new ATOM 0 HA LEU A 127 6.437 -5.612 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.403 -5.470 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.101 -7.046 2.915 1.00 0.00 H new ATOM 0 HG LEU A 127 7.386 -5.050 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.600 -5.942 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.446 -7.231 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.855 -6.919 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.836 -3.873 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.029 -4.748 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.109 -3.597 1.807 1.00 0.00 H new ATOM 1973 N GLU A 128 6.509 -8.870 0.662 1.00 0.00 N ATOM 1974 CA GLU A 128 7.226 -10.083 0.285 1.00 0.00 C ATOM 1975 C GLU A 128 7.759 -9.979 -1.136 1.00 0.00 C ATOM 1976 O GLU A 128 8.927 -10.260 -1.394 1.00 0.00 O ATOM 1977 CB GLU A 128 6.293 -11.293 0.390 1.00 0.00 C ATOM 1978 CG GLU A 128 6.193 -11.890 1.783 1.00 0.00 C ATOM 1979 CD GLU A 128 7.246 -12.947 2.027 1.00 0.00 C ATOM 1980 OE1 GLU A 128 6.980 -14.130 1.723 1.00 0.00 O ATOM 1981 OE2 GLU A 128 8.344 -12.607 2.510 1.00 0.00 O ATOM 0 H GLU A 128 5.586 -9.039 1.061 1.00 0.00 H new ATOM 0 HA GLU A 128 8.068 -10.206 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.296 -10.997 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.639 -12.064 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.297 -11.098 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.204 -12.327 1.919 1.00 0.00 H new ATOM 1988 N ALA A 129 6.904 -9.555 -2.056 1.00 0.00 N ATOM 1989 CA ALA A 129 7.302 -9.451 -3.446 1.00 0.00 C ATOM 1990 C ALA A 129 8.099 -8.187 -3.709 1.00 0.00 C ATOM 1991 O ALA A 129 8.752 -8.074 -4.739 1.00 0.00 O ATOM 1992 CB ALA A 129 6.103 -9.507 -4.366 1.00 0.00 C ATOM 0 H ALA A 129 5.940 -9.281 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 129 7.943 -10.307 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.435 -9.427 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.580 -10.453 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.429 -8.682 -4.136 1.00 0.00 H new ATOM 1998 N PHE A 130 8.061 -7.237 -2.785 1.00 0.00 N ATOM 1999 CA PHE A 130 8.832 -6.018 -2.941 1.00 0.00 C ATOM 2000 C PHE A 130 10.286 -6.318 -2.635 1.00 0.00 C ATOM 2001 O PHE A 130 11.188 -5.950 -3.389 1.00 0.00 O ATOM 2002 CB PHE A 130 8.313 -4.922 -2.009 1.00 0.00 C ATOM 2003 CG PHE A 130 8.940 -3.583 -2.262 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.397 -2.726 -3.199 1.00 0.00 C ATOM 2005 CD2 PHE A 130 10.071 -3.184 -1.569 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.965 -1.493 -3.443 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.647 -1.952 -1.809 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.091 -1.104 -2.747 1.00 0.00 C ATOM 0 H PHE A 130 7.509 -7.288 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 130 8.733 -5.659 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 130 7.233 -4.837 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.501 -5.214 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.516 -3.025 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.507 -3.843 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.529 -0.833 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.530 -1.652 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.537 -0.138 -2.935 1.00 0.00 H new ATOM 2018 N MET A 131 10.508 -7.001 -1.519 1.00 0.00 N ATOM 2019 CA MET A 131 11.841 -7.439 -1.162 1.00 0.00 C ATOM 2020 C MET A 131 12.311 -8.504 -2.144 1.00 0.00 C ATOM 2021 O MET A 131 13.488 -8.545 -2.499 1.00 0.00 O ATOM 2022 CB MET A 131 11.895 -7.941 0.291 1.00 0.00 C ATOM 2023 CG MET A 131 11.068 -9.188 0.563 1.00 0.00 C ATOM 2024 SD MET A 131 11.117 -9.688 2.298 1.00 0.00 S ATOM 2025 CE MET A 131 12.874 -9.946 2.532 1.00 0.00 C ATOM 0 H MET A 131 9.782 -7.260 -0.851 1.00 0.00 H new ATOM 0 HA MET A 131 12.520 -6.588 -1.225 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.933 -8.146 0.552 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.552 -7.143 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.034 -9.005 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.435 -10.006 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.040 -10.505 3.453 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.275 -10.509 1.689 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.378 -8.982 2.597 1.00 0.00 H new ATOM 2035 N ALA A 132 11.389 -9.357 -2.606 1.00 0.00 N ATOM 2036 CA ALA A 132 11.678 -10.286 -3.692 1.00 0.00 C ATOM 2037 C ALA A 132 12.141 -9.545 -4.941 1.00 0.00 C ATOM 2038 O ALA A 132 13.114 -9.937 -5.585 1.00 0.00 O ATOM 2039 CB ALA A 132 10.437 -11.119 -4.010 1.00 0.00 C ATOM 0 H ALA A 132 10.438 -9.419 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 132 12.484 -10.945 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.661 -11.810 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 132 10.140 -11.682 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.623 -10.459 -4.310 1.00 0.00 H new ATOM 2045 N LEU A 133 11.453 -8.456 -5.262 1.00 0.00 N ATOM 2046 CA LEU A 133 11.743 -7.689 -6.462 1.00 0.00 C ATOM 2047 C LEU A 133 13.115 -7.034 -6.379 1.00 0.00 C ATOM 2048 O LEU A 133 13.786 -6.871 -7.389 1.00 0.00 O ATOM 2049 CB LEU A 133 10.665 -6.626 -6.692 1.00 0.00 C ATOM 2050 CG LEU A 133 9.941 -6.716 -8.038 1.00 0.00 C ATOM 2051 CD1 LEU A 133 9.244 -8.062 -8.185 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.942 -5.580 -8.180 1.00 0.00 C ATOM 0 H LEU A 133 10.686 -8.084 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 133 11.746 -8.379 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.926 -6.701 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.124 -5.641 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 133 10.682 -6.627 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.736 -8.105 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.982 -8.862 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.515 -8.183 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.436 -5.659 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.207 -5.640 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.466 -4.626 -8.122 1.00 0.00 H new ATOM 2064 N ARG A 134 13.535 -6.658 -5.181 1.00 0.00 N ATOM 2065 CA ARG A 134 14.837 -6.029 -5.015 1.00 0.00 C ATOM 2066 C ARG A 134 15.948 -7.065 -4.868 1.00 0.00 C ATOM 2067 O ARG A 134 17.123 -6.753 -5.066 1.00 0.00 O ATOM 2068 CB ARG A 134 14.835 -5.087 -3.813 1.00 0.00 C ATOM 2069 CG ARG A 134 13.840 -3.949 -3.942 1.00 0.00 C ATOM 2070 CD ARG A 134 14.061 -2.895 -2.873 1.00 0.00 C ATOM 2071 NE ARG A 134 15.337 -2.200 -3.045 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.520 -0.902 -2.806 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.506 -0.151 -2.394 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.715 -0.357 -2.986 1.00 0.00 N ATOM 0 H ARG A 134 13.002 -6.775 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 134 15.034 -5.450 -5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.608 -5.658 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.835 -4.673 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.932 -3.494 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.826 -4.340 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.247 -2.171 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 134 14.033 -3.364 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 134 16.137 -2.744 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.585 -0.567 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 134 14.648 0.842 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.494 -0.931 -3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.855 0.637 -2.803 1.00 0.00 H new ATOM 2088 N ALA A 135 15.584 -8.297 -4.530 1.00 0.00 N ATOM 2089 CA ALA A 135 16.571 -9.358 -4.366 1.00 0.00 C ATOM 2090 C ALA A 135 16.780 -10.107 -5.677 1.00 0.00 C ATOM 2091 O ALA A 135 17.901 -10.475 -6.024 1.00 0.00 O ATOM 2092 CB ALA A 135 16.135 -10.320 -3.270 1.00 0.00 C ATOM 0 H ALA A 135 14.619 -8.585 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 135 17.519 -8.904 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.881 -11.107 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.035 -9.779 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.176 -10.764 -3.536 1.00 0.00 H new ATOM 2098 N ALA A 136 15.692 -10.327 -6.403 1.00 0.00 N ATOM 2099 CA ALA A 136 15.762 -10.993 -7.697 1.00 0.00 C ATOM 2100 C ALA A 136 16.040 -9.977 -8.793 1.00 0.00 C ATOM 2101 O ALA A 136 16.621 -10.312 -9.824 1.00 0.00 O ATOM 2102 CB ALA A 136 14.469 -11.746 -7.981 1.00 0.00 C ATOM 0 H ALA A 136 14.751 -10.054 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 136 16.579 -11.715 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.540 -12.237 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.307 -12.495 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.634 -11.045 -7.989 1.00 0.00 H new ATOM 2108 N ARG A 137 15.616 -8.739 -8.530 1.00 0.00 N ATOM 2109 CA ARG A 137 15.798 -7.578 -9.415 1.00 0.00 C ATOM 2110 C ARG A 137 15.444 -7.864 -10.882 1.00 0.00 C ATOM 2111 O ARG A 137 16.251 -8.386 -11.657 1.00 0.00 O ATOM 2112 CB ARG A 137 17.211 -6.974 -9.282 1.00 0.00 C ATOM 2113 CG ARG A 137 18.348 -7.869 -9.744 1.00 0.00 C ATOM 2114 CD ARG A 137 19.693 -7.185 -9.592 1.00 0.00 C ATOM 2115 NE ARG A 137 20.747 -7.904 -10.301 1.00 0.00 N ATOM 2116 CZ ARG A 137 22.045 -7.654 -10.166 1.00 0.00 C ATOM 2117 NH1 ARG A 137 22.469 -6.744 -9.297 1.00 0.00 N ATOM 2118 NH2 ARG A 137 22.925 -8.333 -10.892 1.00 0.00 N ATOM 0 H ARG A 137 15.121 -8.506 -7.669 1.00 0.00 H new ATOM 0 HA ARG A 137 15.080 -6.832 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 137 17.246 -6.046 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 137 17.379 -6.712 -8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 137 18.342 -8.794 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.195 -8.144 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 137 19.628 -6.166 -9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 137 19.948 -7.115 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 137 20.469 -8.647 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 137 21.797 -6.231 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 137 23.467 -6.558 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 137 22.604 -9.043 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 137 23.922 -8.145 -10.792 1.00 0.00 H new ATOM 2132 N PRO A 138 14.207 -7.529 -11.282 1.00 0.00 N ATOM 2133 CA PRO A 138 13.790 -7.610 -12.679 1.00 0.00 C ATOM 2134 C PRO A 138 14.450 -6.510 -13.505 1.00 0.00 C ATOM 2135 O PRO A 138 14.364 -5.330 -13.162 1.00 0.00 O ATOM 2136 CB PRO A 138 12.274 -7.410 -12.611 1.00 0.00 C ATOM 2137 CG PRO A 138 12.061 -6.606 -11.378 1.00 0.00 C ATOM 2138 CD PRO A 138 13.121 -7.047 -10.408 1.00 0.00 C ATOM 0 HA PRO A 138 14.072 -8.549 -13.155 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.902 -6.890 -13.494 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.749 -8.364 -12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 138 12.144 -5.540 -11.588 1.00 0.00 H new ATOM 0 HG3 PRO A 138 11.064 -6.774 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 138 13.451 -6.225 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 138 12.758 -7.834 -9.747 1.00 0.00 H new ATOM 2146 N ALA A 139 15.123 -6.899 -14.574 1.00 0.00 N ATOM 2147 CA ALA A 139 15.880 -5.952 -15.384 1.00 0.00 C ATOM 2148 C ALA A 139 14.959 -4.966 -16.094 1.00 0.00 C ATOM 2149 O ALA A 139 14.935 -3.776 -15.768 1.00 0.00 O ATOM 2150 CB ALA A 139 16.746 -6.693 -16.391 1.00 0.00 C ATOM 0 H ALA A 139 15.163 -7.863 -14.904 1.00 0.00 H new ATOM 0 HA ALA A 139 16.526 -5.381 -14.717 1.00 0.00 H new ATOM 0 HB1 ALA A 139 17.305 -5.973 -16.989 1.00 0.00 H new ATOM 0 HB2 ALA A 139 17.442 -7.345 -15.863 1.00 0.00 H new ATOM 0 HB3 ALA A 139 16.112 -7.293 -17.044 1.00 0.00 H new ATOM 2156 N ASP A 140 14.204 -5.461 -17.057 1.00 0.00 N ATOM 2157 CA ASP A 140 13.269 -4.629 -17.793 1.00 0.00 C ATOM 2158 C ASP A 140 12.131 -5.481 -18.323 1.00 0.00 C ATOM 2159 O ASP A 140 12.323 -6.151 -19.363 1.00 0.00 O ATOM 2160 CB ASP A 140 13.970 -3.911 -18.945 1.00 0.00 C ATOM 2161 CG ASP A 140 13.074 -2.887 -19.609 1.00 0.00 C ATOM 2162 OD1 ASP A 140 12.812 -1.836 -18.986 1.00 0.00 O ATOM 2163 OD2 ASP A 140 12.636 -3.120 -20.757 1.00 0.00 O ATOM 2164 OXT ASP A 140 11.063 -5.507 -17.685 1.00 0.00 O ATOM 0 H ASP A 140 14.220 -6.438 -17.349 1.00 0.00 H new ATOM 0 HA ASP A 140 12.869 -3.875 -17.116 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.868 -3.418 -18.572 1.00 0.00 H new ATOM 0 HB3 ASP A 140 14.293 -4.643 -19.685 1.00 0.00 H new TER 2169 ASP A 140