USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0.408) USER MOD Set 2.1: A 39 THR OG1 : rot -37:sc= 1.74 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.136 K(o=1.9,f=0.7) USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= 0 F(o=-0.74,f=-0.071) USER MOD Set 3.2: A 79 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0465 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 20 MET CE :methyl 141:sc= -2.93! (180deg=-5.84!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -23:sc= 0.266 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0247 F(o=-0.67,f=-0.025) USER MOD Single : A 36 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.47) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 44 SER OG : rot -39:sc= 1.32 USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= 1.2 (180deg=0.498) USER MOD Single : A 50 MET CE :methyl -129:sc= -8.71! (180deg=-11.7!) USER MOD Single : A 51 THR OG1 : rot -139:sc= -1.13 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.164 F(o=-1.9!,f=-0.16) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -148:sc= -1.49 (180deg=-4.14!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.507 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 71 ASN : amide:sc= -0.192 K(o=-0.19,f=-4.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 153:sc= -0.274! USER MOD Single : A 80 GLN : amide:sc= -4.65! C(o=-4.6!,f=-8.2!) USER MOD Single : A 83 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 87 THR OG1 : rot -41:sc= 0.789 USER MOD Single : A 88 GLN : amide:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.79! C(o=-1.8!,f=-8.8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -29:sc= 0.0811 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 103 ASN : amide:sc= -0.323 K(o=-0.32,f=-3!) USER MOD Single : A 106 ASN : amide:sc= -0.0895 X(o=-0.089,f=-0.2) USER MOD Single : A 111 SER OG : rot -43:sc= 1.09 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.552 F(o=-3.9,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -30.978 21.561 -1.674 1.00 0.00 N ATOM 2 CA GLY A 17 -29.944 21.567 -2.735 1.00 0.00 C ATOM 3 C GLY A 17 -30.504 22.025 -4.064 1.00 0.00 C ATOM 4 O GLY A 17 -31.257 21.296 -4.714 1.00 0.00 O ATOM 0 HA2 GLY A 17 -29.125 22.223 -2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -29.527 20.565 -2.842 1.00 0.00 H new ATOM 10 N SER A 18 -30.157 23.240 -4.459 1.00 0.00 N ATOM 11 CA SER A 18 -30.605 23.796 -5.726 1.00 0.00 C ATOM 12 C SER A 18 -29.781 23.235 -6.880 1.00 0.00 C ATOM 13 O SER A 18 -30.314 22.591 -7.788 1.00 0.00 O ATOM 14 CB SER A 18 -30.507 25.322 -5.682 1.00 0.00 C ATOM 15 OG SER A 18 -29.261 25.739 -5.143 1.00 0.00 O ATOM 0 H SER A 18 -29.561 23.864 -3.915 1.00 0.00 H new ATOM 0 HA SER A 18 -31.645 23.514 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 18 -30.625 25.726 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 18 -31.321 25.725 -5.079 1.00 0.00 H new ATOM 0 HG SER A 18 -29.223 26.718 -5.127 1.00 0.00 H new ATOM 21 N HIS A 19 -28.480 23.468 -6.833 1.00 0.00 N ATOM 22 CA HIS A 19 -27.573 22.942 -7.841 1.00 0.00 C ATOM 23 C HIS A 19 -26.965 21.635 -7.360 1.00 0.00 C ATOM 24 O HIS A 19 -26.570 21.512 -6.199 1.00 0.00 O ATOM 25 CB HIS A 19 -26.469 23.952 -8.167 1.00 0.00 C ATOM 26 CG HIS A 19 -26.951 25.129 -8.956 1.00 0.00 C ATOM 27 ND1 HIS A 19 -26.942 26.421 -8.474 1.00 0.00 N ATOM 28 CD2 HIS A 19 -27.455 25.201 -10.209 1.00 0.00 C ATOM 29 CE1 HIS A 19 -27.420 27.235 -9.396 1.00 0.00 C ATOM 30 NE2 HIS A 19 -27.739 26.520 -10.457 1.00 0.00 N ATOM 0 H HIS A 19 -28.026 24.020 -6.105 1.00 0.00 H new ATOM 0 HA HIS A 19 -28.142 22.758 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -26.025 24.306 -7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -25.680 23.448 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -27.606 24.374 -10.888 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -27.531 28.305 -9.298 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -28.133 26.888 -11.323 1.00 0.00 H new ATOM 39 N MET A 20 -26.908 20.658 -8.248 1.00 0.00 N ATOM 40 CA MET A 20 -26.366 19.350 -7.917 1.00 0.00 C ATOM 41 C MET A 20 -24.927 19.242 -8.381 1.00 0.00 C ATOM 42 O MET A 20 -24.429 20.123 -9.080 1.00 0.00 O ATOM 43 CB MET A 20 -27.204 18.241 -8.555 1.00 0.00 C ATOM 44 CG MET A 20 -28.582 18.056 -7.934 1.00 0.00 C ATOM 45 SD MET A 20 -28.540 17.204 -6.337 1.00 0.00 S ATOM 46 CE MET A 20 -27.892 18.477 -5.253 1.00 0.00 C ATOM 0 H MET A 20 -27.233 20.746 -9.211 1.00 0.00 H new ATOM 0 HA MET A 20 -26.399 19.232 -6.834 1.00 0.00 H new ATOM 0 HB2 MET A 20 -27.324 18.458 -9.616 1.00 0.00 H new ATOM 0 HB3 MET A 20 -26.657 17.301 -8.481 1.00 0.00 H new ATOM 0 HG2 MET A 20 -29.049 19.033 -7.805 1.00 0.00 H new ATOM 0 HG3 MET A 20 -29.210 17.491 -8.623 1.00 0.00 H new ATOM 0 HE1 MET A 20 -28.405 18.432 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 20 -26.824 18.318 -5.102 1.00 0.00 H new ATOM 0 HE3 MET A 20 -28.053 19.456 -5.705 1.00 0.00 H new ATOM 56 N SER A 21 -24.273 18.157 -7.987 1.00 0.00 N ATOM 57 CA SER A 21 -22.885 17.906 -8.353 1.00 0.00 C ATOM 58 C SER A 21 -21.973 19.035 -7.867 1.00 0.00 C ATOM 59 O SER A 21 -21.489 19.849 -8.652 1.00 0.00 O ATOM 60 CB SER A 21 -22.764 17.722 -9.869 1.00 0.00 C ATOM 61 OG SER A 21 -23.635 16.696 -10.322 1.00 0.00 O ATOM 0 H SER A 21 -24.688 17.428 -7.407 1.00 0.00 H new ATOM 0 HA SER A 21 -22.562 16.987 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 21 -23.003 18.658 -10.374 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.735 17.473 -10.129 1.00 0.00 H new ATOM 0 HG SER A 21 -23.544 16.595 -11.293 1.00 0.00 H new ATOM 67 N THR A 22 -21.762 19.089 -6.563 1.00 0.00 N ATOM 68 CA THR A 22 -20.840 20.045 -5.976 1.00 0.00 C ATOM 69 C THR A 22 -19.588 19.321 -5.483 1.00 0.00 C ATOM 70 O THR A 22 -18.594 19.945 -5.115 1.00 0.00 O ATOM 71 CB THR A 22 -21.498 20.829 -4.819 1.00 0.00 C ATOM 72 OG1 THR A 22 -20.619 21.869 -4.364 1.00 0.00 O ATOM 73 CG2 THR A 22 -21.847 19.914 -3.652 1.00 0.00 C ATOM 0 H THR A 22 -22.220 18.478 -5.887 1.00 0.00 H new ATOM 0 HA THR A 22 -20.562 20.765 -6.745 1.00 0.00 H new ATOM 0 HB THR A 22 -22.421 21.267 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 22 -19.696 21.646 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 22 -22.308 20.499 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 22 -22.544 19.146 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 22 -20.939 19.442 -3.276 1.00 0.00 H new ATOM 81 N LEU A 23 -19.663 17.996 -5.468 1.00 0.00 N ATOM 82 CA LEU A 23 -18.520 17.160 -5.130 1.00 0.00 C ATOM 83 C LEU A 23 -18.238 16.204 -6.284 1.00 0.00 C ATOM 84 O LEU A 23 -17.392 15.317 -6.181 1.00 0.00 O ATOM 85 CB LEU A 23 -18.796 16.355 -3.855 1.00 0.00 C ATOM 86 CG LEU A 23 -19.120 17.183 -2.606 1.00 0.00 C ATOM 87 CD1 LEU A 23 -19.468 16.271 -1.444 1.00 0.00 C ATOM 88 CD2 LEU A 23 -17.949 18.080 -2.239 1.00 0.00 C ATOM 0 H LEU A 23 -20.512 17.475 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 23 -17.655 17.800 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -19.629 15.679 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -17.925 15.735 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 23 -19.981 17.814 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -19.696 16.873 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -20.336 15.666 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -18.622 15.618 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.199 18.659 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -17.070 17.467 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -17.737 18.758 -3.066 1.00 0.00 H new ATOM 100 N GLU A 24 -18.957 16.423 -7.386 1.00 0.00 N ATOM 101 CA GLU A 24 -18.955 15.525 -8.544 1.00 0.00 C ATOM 102 C GLU A 24 -19.149 14.068 -8.123 1.00 0.00 C ATOM 103 O GLU A 24 -20.279 13.616 -7.931 1.00 0.00 O ATOM 104 CB GLU A 24 -17.682 15.678 -9.386 1.00 0.00 C ATOM 105 CG GLU A 24 -17.609 16.984 -10.163 1.00 0.00 C ATOM 106 CD GLU A 24 -17.365 18.188 -9.278 1.00 0.00 C ATOM 107 OE1 GLU A 24 -16.189 18.460 -8.964 1.00 0.00 O ATOM 108 OE2 GLU A 24 -18.339 18.870 -8.898 1.00 0.00 O ATOM 0 H GLU A 24 -19.563 17.236 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 24 -19.801 15.815 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.814 15.608 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -17.620 14.846 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.811 16.916 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -18.540 17.126 -10.711 1.00 0.00 H new ATOM 115 N ARG A 25 -18.053 13.341 -7.962 1.00 0.00 N ATOM 116 CA ARG A 25 -18.121 11.957 -7.529 1.00 0.00 C ATOM 117 C ARG A 25 -17.012 11.644 -6.530 1.00 0.00 C ATOM 118 O ARG A 25 -16.643 10.486 -6.341 1.00 0.00 O ATOM 119 CB ARG A 25 -18.049 11.012 -8.731 1.00 0.00 C ATOM 120 CG ARG A 25 -16.801 11.182 -9.578 1.00 0.00 C ATOM 121 CD ARG A 25 -16.806 10.216 -10.746 1.00 0.00 C ATOM 122 NE ARG A 25 -15.664 10.415 -11.631 1.00 0.00 N ATOM 123 CZ ARG A 25 -15.710 10.229 -12.947 1.00 0.00 C ATOM 124 NH1 ARG A 25 -16.834 9.825 -13.528 1.00 0.00 N ATOM 125 NH2 ARG A 25 -14.628 10.431 -13.684 1.00 0.00 N ATOM 0 H ARG A 25 -17.108 13.688 -8.125 1.00 0.00 H new ATOM 0 HA ARG A 25 -19.078 11.805 -7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.096 9.983 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -18.926 11.172 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.744 12.206 -9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.915 11.014 -8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.798 9.193 -10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.729 10.339 -11.313 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.781 10.714 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.667 9.656 -12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.864 9.684 -14.538 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.758 10.729 -13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.664 10.288 -14.693 1.00 0.00 H new ATOM 139 N VAL A 26 -16.492 12.681 -5.884 1.00 0.00 N ATOM 140 CA VAL A 26 -15.470 12.506 -4.860 1.00 0.00 C ATOM 141 C VAL A 26 -16.144 12.328 -3.505 1.00 0.00 C ATOM 142 O VAL A 26 -16.284 13.273 -2.724 1.00 0.00 O ATOM 143 CB VAL A 26 -14.492 13.701 -4.813 1.00 0.00 C ATOM 144 CG1 VAL A 26 -13.326 13.405 -3.881 1.00 0.00 C ATOM 145 CG2 VAL A 26 -13.988 14.036 -6.211 1.00 0.00 C ATOM 0 H VAL A 26 -16.761 13.651 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.887 11.619 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.029 14.567 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.649 14.259 -3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.702 13.218 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.790 12.525 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.301 14.880 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.470 13.172 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.832 14.296 -6.850 1.00 0.00 H new ATOM 155 N VAL A 27 -16.584 11.106 -3.250 1.00 0.00 N ATOM 156 CA VAL A 27 -17.367 10.799 -2.071 1.00 0.00 C ATOM 157 C VAL A 27 -16.452 10.517 -0.872 1.00 0.00 C ATOM 158 O VAL A 27 -15.225 10.527 -1.013 1.00 0.00 O ATOM 159 CB VAL A 27 -18.310 9.603 -2.356 1.00 0.00 C ATOM 160 CG1 VAL A 27 -17.555 8.285 -2.314 1.00 0.00 C ATOM 161 CG2 VAL A 27 -19.504 9.583 -1.411 1.00 0.00 C ATOM 0 H VAL A 27 -16.407 10.304 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.981 11.664 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 27 -18.700 9.735 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -18.243 7.465 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -16.767 8.293 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -17.112 8.151 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -20.139 8.729 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -19.153 9.502 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -20.076 10.503 -1.528 1.00 0.00 H new ATOM 171 N TYR A 28 -17.051 10.277 0.294 1.00 0.00 N ATOM 172 CA TYR A 28 -16.316 10.076 1.538 1.00 0.00 C ATOM 173 C TYR A 28 -15.187 9.056 1.390 1.00 0.00 C ATOM 174 O TYR A 28 -15.363 7.967 0.834 1.00 0.00 O ATOM 175 CB TYR A 28 -17.274 9.631 2.645 1.00 0.00 C ATOM 176 CG TYR A 28 -16.675 9.690 4.031 1.00 0.00 C ATOM 177 CD1 TYR A 28 -16.688 10.873 4.756 1.00 0.00 C ATOM 178 CD2 TYR A 28 -16.092 8.571 4.612 1.00 0.00 C ATOM 179 CE1 TYR A 28 -16.139 10.942 6.021 1.00 0.00 C ATOM 180 CE2 TYR A 28 -15.538 8.631 5.876 1.00 0.00 C ATOM 181 CZ TYR A 28 -15.564 9.819 6.577 1.00 0.00 C ATOM 182 OH TYR A 28 -15.006 9.888 7.833 1.00 0.00 O ATOM 0 H TYR A 28 -18.064 10.217 0.401 1.00 0.00 H new ATOM 0 HA TYR A 28 -15.860 11.031 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -18.164 10.260 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -17.599 8.610 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.135 11.755 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.072 7.639 4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -16.160 11.871 6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -15.087 7.753 6.313 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.645 9.011 8.079 1.00 0.00 H new ATOM 192 N ARG A 29 -14.029 9.436 1.894 1.00 0.00 N ATOM 193 CA ARG A 29 -12.853 8.585 1.892 1.00 0.00 C ATOM 194 C ARG A 29 -12.239 8.550 3.293 1.00 0.00 C ATOM 195 O ARG A 29 -12.677 9.303 4.167 1.00 0.00 O ATOM 196 CB ARG A 29 -11.848 9.064 0.821 1.00 0.00 C ATOM 197 CG ARG A 29 -11.663 10.575 0.748 1.00 0.00 C ATOM 198 CD ARG A 29 -10.820 11.106 1.894 1.00 0.00 C ATOM 199 NE ARG A 29 -10.748 12.565 1.894 1.00 0.00 N ATOM 200 CZ ARG A 29 -10.298 13.287 2.915 1.00 0.00 C ATOM 201 NH1 ARG A 29 -9.842 12.686 4.009 1.00 0.00 N ATOM 202 NH2 ARG A 29 -10.300 14.613 2.839 1.00 0.00 N ATOM 0 H ARG A 29 -13.876 10.350 2.320 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.135 7.565 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.880 8.603 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.179 8.705 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.191 10.836 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.639 11.060 0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.239 10.764 2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.813 10.694 1.824 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.062 13.060 1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.837 11.668 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.497 13.243 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.646 15.075 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.955 15.169 3.621 1.00 0.00 H new ATOM 216 N PRO A 30 -11.261 7.656 3.538 1.00 0.00 N ATOM 217 CA PRO A 30 -10.548 7.560 4.822 1.00 0.00 C ATOM 218 C PRO A 30 -10.045 8.906 5.359 1.00 0.00 C ATOM 219 O PRO A 30 -10.173 9.947 4.708 1.00 0.00 O ATOM 220 CB PRO A 30 -9.361 6.662 4.490 1.00 0.00 C ATOM 221 CG PRO A 30 -9.822 5.810 3.368 1.00 0.00 C ATOM 222 CD PRO A 30 -10.799 6.631 2.587 1.00 0.00 C ATOM 0 HA PRO A 30 -11.206 7.185 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.489 7.251 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.071 6.058 5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.983 5.505 2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.290 4.899 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.329 7.083 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.628 6.023 2.224 1.00 0.00 H new ATOM 230 N ASP A 31 -9.465 8.885 6.557 1.00 0.00 N ATOM 231 CA ASP A 31 -8.920 10.095 7.166 1.00 0.00 C ATOM 232 C ASP A 31 -7.755 10.616 6.348 1.00 0.00 C ATOM 233 O ASP A 31 -7.398 11.793 6.406 1.00 0.00 O ATOM 234 CB ASP A 31 -8.480 9.827 8.608 1.00 0.00 C ATOM 235 CG ASP A 31 -7.336 8.838 8.703 1.00 0.00 C ATOM 236 OD1 ASP A 31 -7.602 7.618 8.673 1.00 0.00 O ATOM 237 OD2 ASP A 31 -6.171 9.276 8.809 1.00 0.00 O ATOM 0 H ASP A 31 -9.361 8.044 7.124 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.704 10.853 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.180 10.767 9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.329 9.448 9.177 1.00 0.00 H new ATOM 242 N ILE A 32 -7.189 9.717 5.582 1.00 0.00 N ATOM 243 CA ILE A 32 -6.108 10.027 4.673 1.00 0.00 C ATOM 244 C ILE A 32 -6.623 10.763 3.444 1.00 0.00 C ATOM 245 O ILE A 32 -7.710 10.481 2.946 1.00 0.00 O ATOM 246 CB ILE A 32 -5.395 8.735 4.248 1.00 0.00 C ATOM 247 CG1 ILE A 32 -4.848 8.045 5.488 1.00 0.00 C ATOM 248 CG2 ILE A 32 -4.286 9.019 3.252 1.00 0.00 C ATOM 249 CD1 ILE A 32 -3.825 8.879 6.220 1.00 0.00 C ATOM 0 H ILE A 32 -7.468 8.736 5.570 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.402 10.677 5.190 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.110 8.079 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.672 7.815 6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.397 7.095 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.801 8.084 2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.707 9.491 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.553 9.686 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.471 8.335 7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.985 9.088 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.280 9.818 6.536 1.00 0.00 H new ATOM 261 N ASN A 33 -5.829 11.709 2.967 1.00 0.00 N ATOM 262 CA ASN A 33 -6.195 12.498 1.797 1.00 0.00 C ATOM 263 C ASN A 33 -5.776 11.765 0.536 1.00 0.00 C ATOM 264 O ASN A 33 -6.163 12.126 -0.574 1.00 0.00 O ATOM 265 CB ASN A 33 -5.535 13.875 1.851 1.00 0.00 C ATOM 266 CG ASN A 33 -5.609 14.490 3.233 1.00 0.00 C ATOM 267 OD1 ASN A 33 -4.542 14.331 3.999 1.00 0.00 O flip ATOM 268 ND2 ASN A 33 -6.604 15.112 3.605 1.00 0.00 N flip ATOM 0 H ASN A 33 -4.925 11.951 3.372 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.276 12.637 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.491 13.788 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.020 14.537 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.406 15.211 2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.627 15.528 4.536 1.00 0.00 H new ATOM 275 N GLN A 34 -4.964 10.734 0.722 1.00 0.00 N ATOM 276 CA GLN A 34 -4.579 9.861 -0.370 1.00 0.00 C ATOM 277 C GLN A 34 -5.422 8.603 -0.317 1.00 0.00 C ATOM 278 O GLN A 34 -6.388 8.522 0.443 1.00 0.00 O ATOM 279 CB GLN A 34 -3.106 9.455 -0.287 1.00 0.00 C ATOM 280 CG GLN A 34 -2.191 10.516 0.281 1.00 0.00 C ATOM 281 CD GLN A 34 -0.733 10.223 0.004 1.00 0.00 C ATOM 282 OE1 GLN A 34 -0.100 9.474 0.890 1.00 0.00 O flip ATOM 283 NE2 GLN A 34 -0.182 10.657 -1.002 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.559 10.484 1.624 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.735 10.406 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.024 8.557 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.759 9.191 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.452 11.485 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.347 10.589 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.705 11.232 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.800 10.443 -1.178 1.00 0.00 H new ATOM 292 N GLY A 35 -5.030 7.616 -1.089 1.00 0.00 N ATOM 293 CA GLY A 35 -5.745 6.365 -1.096 1.00 0.00 C ATOM 294 C GLY A 35 -5.632 5.666 -2.433 1.00 0.00 C ATOM 295 O GLY A 35 -4.644 5.858 -3.143 1.00 0.00 O ATOM 0 H GLY A 35 -4.226 7.656 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.353 5.717 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.795 6.544 -0.866 1.00 0.00 H new ATOM 299 N ASN A 36 -6.644 4.863 -2.767 1.00 0.00 N ATOM 300 CA ASN A 36 -6.724 4.153 -4.055 1.00 0.00 C ATOM 301 C ASN A 36 -5.738 2.985 -4.114 1.00 0.00 C ATOM 302 O ASN A 36 -6.131 1.839 -4.337 1.00 0.00 O ATOM 303 CB ASN A 36 -6.492 5.114 -5.233 1.00 0.00 C ATOM 304 CG ASN A 36 -6.519 4.422 -6.575 1.00 0.00 C ATOM 305 OD1 ASN A 36 -7.191 3.409 -6.761 1.00 0.00 O ATOM 306 ND2 ASN A 36 -5.793 4.977 -7.530 1.00 0.00 N ATOM 0 H ASN A 36 -7.437 4.683 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.732 3.746 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.256 5.891 -5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.530 5.610 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.776 4.565 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.249 5.818 -7.334 1.00 0.00 H new ATOM 313 N TYR A 37 -4.466 3.280 -3.917 1.00 0.00 N ATOM 314 CA TYR A 37 -3.436 2.261 -3.878 1.00 0.00 C ATOM 315 C TYR A 37 -3.319 1.706 -2.460 1.00 0.00 C ATOM 316 O TYR A 37 -4.233 1.877 -1.650 1.00 0.00 O ATOM 317 CB TYR A 37 -2.103 2.844 -4.372 1.00 0.00 C ATOM 318 CG TYR A 37 -1.844 4.259 -3.898 1.00 0.00 C ATOM 319 CD1 TYR A 37 -1.556 4.531 -2.568 1.00 0.00 C ATOM 320 CD2 TYR A 37 -1.902 5.326 -4.788 1.00 0.00 C ATOM 321 CE1 TYR A 37 -1.331 5.825 -2.136 1.00 0.00 C ATOM 322 CE2 TYR A 37 -1.678 6.621 -4.364 1.00 0.00 C ATOM 323 CZ TYR A 37 -1.394 6.867 -3.039 1.00 0.00 C ATOM 324 OH TYR A 37 -1.173 8.157 -2.617 1.00 0.00 O ATOM 0 H TYR A 37 -4.120 4.230 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.703 1.438 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.289 2.203 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.091 2.827 -5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.507 3.718 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.126 5.139 -5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.107 6.019 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.725 7.438 -5.069 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.254 8.769 -3.378 1.00 0.00 H new ATOM 334 N LEU A 38 -2.214 1.046 -2.156 1.00 0.00 N ATOM 335 CA LEU A 38 -2.019 0.489 -0.827 1.00 0.00 C ATOM 336 C LEU A 38 -1.801 1.583 0.188 1.00 0.00 C ATOM 337 O LEU A 38 -1.202 2.620 -0.093 1.00 0.00 O ATOM 338 CB LEU A 38 -0.825 -0.452 -0.779 1.00 0.00 C ATOM 339 CG LEU A 38 -1.132 -1.914 -0.459 1.00 0.00 C ATOM 340 CD1 LEU A 38 -1.655 -2.056 0.941 1.00 0.00 C ATOM 341 CD2 LEU A 38 -2.098 -2.492 -1.476 1.00 0.00 C ATOM 0 H LEU A 38 -1.444 0.883 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.925 -0.069 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.318 -0.411 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.123 -0.078 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.205 -2.483 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.866 -3.106 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.909 -1.692 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.570 -1.474 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.304 -3.534 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.028 -1.924 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.657 -2.434 -2.471 1.00 0.00 H new ATOM 353 N THR A 39 -2.325 1.343 1.352 1.00 0.00 N ATOM 354 CA THR A 39 -2.089 2.194 2.492 1.00 0.00 C ATOM 355 C THR A 39 -1.683 1.360 3.694 1.00 0.00 C ATOM 356 O THR A 39 -1.657 0.133 3.626 1.00 0.00 O ATOM 357 CB THR A 39 -3.316 3.050 2.857 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.387 2.222 3.325 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.776 3.852 1.662 1.00 0.00 C ATOM 0 H THR A 39 -2.933 0.547 1.545 1.00 0.00 H new ATOM 0 HA THR A 39 -1.283 2.873 2.215 1.00 0.00 H new ATOM 0 HB THR A 39 -3.026 3.735 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.399 1.384 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.644 4.451 1.938 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.971 4.509 1.333 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.045 3.175 0.851 1.00 0.00 H new ATOM 367 N ALA A 40 -1.395 2.021 4.799 1.00 0.00 N ATOM 368 CA ALA A 40 -1.074 1.322 6.033 1.00 0.00 C ATOM 369 C ALA A 40 -2.322 0.664 6.594 1.00 0.00 C ATOM 370 O ALA A 40 -2.260 -0.375 7.253 1.00 0.00 O ATOM 371 CB ALA A 40 -0.477 2.275 7.046 1.00 0.00 C ATOM 0 H ALA A 40 -1.376 3.038 4.870 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.335 0.550 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.244 1.733 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.436 2.712 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.192 3.068 7.266 1.00 0.00 H new ATOM 377 N ASN A 41 -3.458 1.278 6.295 1.00 0.00 N ATOM 378 CA ASN A 41 -4.755 0.760 6.701 1.00 0.00 C ATOM 379 C ASN A 41 -4.948 -0.626 6.127 1.00 0.00 C ATOM 380 O ASN A 41 -5.386 -1.551 6.805 1.00 0.00 O ATOM 381 CB ASN A 41 -5.872 1.667 6.185 1.00 0.00 C ATOM 382 CG ASN A 41 -5.670 3.116 6.538 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.993 3.566 7.636 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.161 3.865 5.586 1.00 0.00 N ATOM 0 H ASN A 41 -3.506 2.148 5.765 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.792 0.724 7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.939 1.570 5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.824 1.329 6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.019 4.863 5.743 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.907 3.449 4.690 1.00 0.00 H new ATOM 391 N ASP A 42 -4.597 -0.755 4.865 1.00 0.00 N ATOM 392 CA ASP A 42 -4.715 -2.020 4.159 1.00 0.00 C ATOM 393 C ASP A 42 -3.689 -3.020 4.672 1.00 0.00 C ATOM 394 O ASP A 42 -3.945 -4.218 4.708 1.00 0.00 O ATOM 395 CB ASP A 42 -4.537 -1.822 2.656 1.00 0.00 C ATOM 396 CG ASP A 42 -5.539 -0.852 2.069 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.717 -1.228 1.910 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.148 0.296 1.769 1.00 0.00 O ATOM 0 H ASP A 42 -4.224 0.007 4.299 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.715 -2.413 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.528 -1.459 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.633 -2.785 2.154 1.00 0.00 H new ATOM 403 N VAL A 43 -2.526 -2.527 5.077 1.00 0.00 N ATOM 404 CA VAL A 43 -1.494 -3.387 5.643 1.00 0.00 C ATOM 405 C VAL A 43 -1.984 -4.047 6.934 1.00 0.00 C ATOM 406 O VAL A 43 -1.683 -5.208 7.202 1.00 0.00 O ATOM 407 CB VAL A 43 -0.186 -2.604 5.902 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.798 -3.444 6.694 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.443 -2.197 4.591 1.00 0.00 C ATOM 0 H VAL A 43 -2.274 -1.540 5.025 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.280 -4.167 4.912 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.433 -1.714 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.710 -2.872 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.356 -3.715 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.036 -4.349 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.363 -1.646 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.669 -3.087 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.249 -1.563 4.037 1.00 0.00 H new ATOM 419 N SER A 44 -2.767 -3.317 7.716 1.00 0.00 N ATOM 420 CA SER A 44 -3.340 -3.878 8.935 1.00 0.00 C ATOM 421 C SER A 44 -4.374 -4.954 8.596 1.00 0.00 C ATOM 422 O SER A 44 -4.772 -5.744 9.451 1.00 0.00 O ATOM 423 CB SER A 44 -3.968 -2.785 9.793 1.00 0.00 C ATOM 424 OG SER A 44 -5.203 -2.339 9.264 1.00 0.00 O ATOM 0 H SER A 44 -3.019 -2.346 7.533 1.00 0.00 H new ATOM 0 HA SER A 44 -2.535 -4.339 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.122 -3.162 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.280 -1.943 9.868 1.00 0.00 H new ATOM 0 HG SER A 44 -5.143 -2.294 8.287 1.00 0.00 H new ATOM 430 N LYS A 45 -4.804 -4.974 7.333 1.00 0.00 N ATOM 431 CA LYS A 45 -5.746 -5.978 6.846 1.00 0.00 C ATOM 432 C LYS A 45 -5.041 -7.301 6.565 1.00 0.00 C ATOM 433 O LYS A 45 -5.681 -8.349 6.490 1.00 0.00 O ATOM 434 CB LYS A 45 -6.442 -5.494 5.581 1.00 0.00 C ATOM 435 CG LYS A 45 -7.299 -4.258 5.787 1.00 0.00 C ATOM 436 CD LYS A 45 -7.822 -3.746 4.460 1.00 0.00 C ATOM 437 CE LYS A 45 -8.660 -4.800 3.764 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.815 -4.512 2.312 1.00 0.00 N ATOM 0 H LYS A 45 -4.511 -4.300 6.626 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.491 -6.136 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.689 -5.280 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.067 -6.297 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.134 -4.493 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.714 -3.481 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.420 -2.849 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.986 -3.460 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.195 -5.778 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.643 -4.850 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.748 -4.841 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.735 -3.488 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.071 -5.005 1.779 1.00 0.00 H new ATOM 452 N ILE A 46 -3.720 -7.265 6.400 1.00 0.00 N ATOM 453 CA ILE A 46 -2.974 -8.482 6.207 1.00 0.00 C ATOM 454 C ILE A 46 -2.237 -8.898 7.452 1.00 0.00 C ATOM 455 O ILE A 46 -2.138 -8.152 8.425 1.00 0.00 O ATOM 456 CB ILE A 46 -1.982 -8.422 5.037 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.935 -7.323 5.201 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.752 -8.254 3.754 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.182 -7.432 4.188 1.00 0.00 C ATOM 0 H ILE A 46 -3.160 -6.412 6.398 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.731 -9.227 5.963 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.424 -9.358 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.416 -6.350 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.516 -7.372 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.057 -8.210 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.427 -9.099 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.330 -7.331 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.899 -6.627 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.684 -8.393 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.230 -7.355 3.182 1.00 0.00 H new ATOM 471 N ARG A 47 -1.734 -10.106 7.396 1.00 0.00 N ATOM 472 CA ARG A 47 -1.116 -10.747 8.537 1.00 0.00 C ATOM 473 C ARG A 47 -0.320 -11.948 8.072 1.00 0.00 C ATOM 474 O ARG A 47 -0.667 -12.590 7.079 1.00 0.00 O ATOM 475 CB ARG A 47 -2.184 -11.179 9.557 1.00 0.00 C ATOM 476 CG ARG A 47 -3.326 -11.991 8.954 1.00 0.00 C ATOM 477 CD ARG A 47 -4.509 -11.117 8.546 1.00 0.00 C ATOM 478 NE ARG A 47 -5.276 -10.658 9.711 1.00 0.00 N ATOM 479 CZ ARG A 47 -5.427 -9.381 10.069 1.00 0.00 C ATOM 480 NH1 ARG A 47 -4.792 -8.424 9.414 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.194 -9.066 11.106 1.00 0.00 N ATOM 0 H ARG A 47 -1.740 -10.679 6.552 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.447 -10.037 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.707 -11.769 10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.596 -10.290 10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.961 -12.534 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.660 -12.736 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.147 -10.254 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.163 -11.679 7.879 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.727 -11.367 10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.183 -8.660 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.911 -7.450 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.669 -9.800 11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.308 -8.090 11.378 1.00 0.00 H new ATOM 495 N VAL A 48 0.748 -12.235 8.788 1.00 0.00 N ATOM 496 CA VAL A 48 1.640 -13.312 8.430 1.00 0.00 C ATOM 497 C VAL A 48 0.979 -14.649 8.706 1.00 0.00 C ATOM 498 O VAL A 48 0.251 -14.796 9.686 1.00 0.00 O ATOM 499 CB VAL A 48 2.946 -13.220 9.220 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.095 -13.736 8.379 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.194 -11.795 9.668 1.00 0.00 C ATOM 0 H VAL A 48 1.019 -11.729 9.631 1.00 0.00 H new ATOM 0 HA VAL A 48 1.864 -13.228 7.367 1.00 0.00 H new ATOM 0 HB VAL A 48 2.867 -13.841 10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.022 -13.667 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.911 -14.776 8.110 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.181 -13.136 7.473 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.127 -11.747 10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.261 -11.146 8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.372 -11.465 10.303 1.00 0.00 H new ATOM 511 N GLY A 49 1.232 -15.610 7.843 1.00 0.00 N ATOM 512 CA GLY A 49 0.601 -16.903 7.976 1.00 0.00 C ATOM 513 C GLY A 49 -0.211 -17.257 6.752 1.00 0.00 C ATOM 514 O GLY A 49 -0.291 -18.424 6.370 1.00 0.00 O ATOM 0 H GLY A 49 1.865 -15.521 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.363 -17.665 8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.045 -16.904 8.854 1.00 0.00 H new ATOM 518 N MET A 50 -0.809 -16.247 6.124 1.00 0.00 N ATOM 519 CA MET A 50 -1.596 -16.484 4.926 1.00 0.00 C ATOM 520 C MET A 50 -0.722 -16.470 3.683 1.00 0.00 C ATOM 521 O MET A 50 0.480 -16.200 3.751 1.00 0.00 O ATOM 522 CB MET A 50 -2.771 -15.508 4.778 1.00 0.00 C ATOM 523 CG MET A 50 -2.431 -14.034 4.838 1.00 0.00 C ATOM 524 SD MET A 50 -3.917 -13.017 4.675 1.00 0.00 S ATOM 525 CE MET A 50 -3.213 -11.385 4.535 1.00 0.00 C ATOM 0 H MET A 50 -0.763 -15.273 6.422 1.00 0.00 H new ATOM 0 HA MET A 50 -2.028 -17.479 5.037 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.263 -15.707 3.826 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.496 -15.724 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.935 -13.810 5.782 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.728 -13.787 4.042 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.694 -10.719 5.251 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.144 -11.431 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.370 -11.006 3.525 1.00 0.00 H new ATOM 535 N THR A 51 -1.335 -16.764 2.553 1.00 0.00 N ATOM 536 CA THR A 51 -0.608 -16.980 1.320 1.00 0.00 C ATOM 537 C THR A 51 -0.449 -15.702 0.521 1.00 0.00 C ATOM 538 O THR A 51 -0.821 -14.616 0.975 1.00 0.00 O ATOM 539 CB THR A 51 -1.332 -17.999 0.439 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.575 -17.456 -0.012 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.606 -19.250 1.217 1.00 0.00 C ATOM 0 H THR A 51 -2.347 -16.859 2.465 1.00 0.00 H new ATOM 0 HA THR A 51 0.377 -17.349 1.605 1.00 0.00 H new ATOM 0 HB THR A 51 -0.697 -18.231 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.267 -18.149 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.122 -19.969 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.664 -19.679 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.231 -19.013 2.078 1.00 0.00 H new ATOM 549 N GLN A 52 0.084 -15.848 -0.678 1.00 0.00 N ATOM 550 CA GLN A 52 0.161 -14.757 -1.618 1.00 0.00 C ATOM 551 C GLN A 52 -1.234 -14.326 -2.045 1.00 0.00 C ATOM 552 O GLN A 52 -1.558 -13.140 -2.035 1.00 0.00 O ATOM 553 CB GLN A 52 0.957 -15.186 -2.839 1.00 0.00 C ATOM 554 CG GLN A 52 2.424 -15.443 -2.553 1.00 0.00 C ATOM 555 CD GLN A 52 3.098 -16.242 -3.648 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.359 -17.157 -4.258 1.00 0.00 O flip ATOM 557 NE2 GLN A 52 4.282 -16.065 -3.922 1.00 0.00 N flip ATOM 0 H GLN A 52 0.473 -16.726 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 52 0.658 -13.915 -1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.513 -16.092 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.875 -14.414 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.940 -14.490 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.518 -15.977 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.818 -15.350 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.729 -16.633 -4.642 1.00 0.00 H new ATOM 566 N GLN A 53 -2.076 -15.301 -2.389 1.00 0.00 N ATOM 567 CA GLN A 53 -3.405 -14.987 -2.898 1.00 0.00 C ATOM 568 C GLN A 53 -4.218 -14.290 -1.827 1.00 0.00 C ATOM 569 O GLN A 53 -4.977 -13.366 -2.110 1.00 0.00 O ATOM 570 CB GLN A 53 -4.140 -16.240 -3.376 1.00 0.00 C ATOM 571 CG GLN A 53 -4.312 -17.308 -2.324 1.00 0.00 C ATOM 572 CD GLN A 53 -5.386 -18.313 -2.674 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.125 -19.314 -3.338 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.601 -18.061 -2.212 1.00 0.00 N ATOM 0 H GLN A 53 -1.864 -16.297 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.283 -14.325 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.124 -15.950 -3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.596 -16.664 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.365 -17.830 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.559 -16.837 -1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.774 -17.218 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.364 -18.710 -2.403 1.00 0.00 H new ATOM 583 N GLN A 54 -4.029 -14.730 -0.594 1.00 0.00 N ATOM 584 CA GLN A 54 -4.702 -14.130 0.546 1.00 0.00 C ATOM 585 C GLN A 54 -4.369 -12.649 0.645 1.00 0.00 C ATOM 586 O GLN A 54 -5.255 -11.804 0.781 1.00 0.00 O ATOM 587 CB GLN A 54 -4.262 -14.801 1.836 1.00 0.00 C ATOM 588 CG GLN A 54 -4.513 -16.292 1.893 1.00 0.00 C ATOM 589 CD GLN A 54 -5.732 -16.650 2.705 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.728 -15.926 2.717 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.628 -17.742 3.437 1.00 0.00 N ATOM 0 H GLN A 54 -3.411 -15.506 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.775 -14.261 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.196 -14.620 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.779 -14.327 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.632 -16.674 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.640 -16.786 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.781 -18.308 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.395 -18.021 4.049 1.00 0.00 H new ATOM 600 N VAL A 55 -3.080 -12.344 0.575 1.00 0.00 N ATOM 601 CA VAL A 55 -2.614 -10.984 0.714 1.00 0.00 C ATOM 602 C VAL A 55 -3.008 -10.138 -0.480 1.00 0.00 C ATOM 603 O VAL A 55 -3.490 -9.029 -0.316 1.00 0.00 O ATOM 604 CB VAL A 55 -1.094 -10.937 0.894 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.591 -9.506 0.821 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.721 -11.562 2.216 1.00 0.00 C ATOM 0 H VAL A 55 -2.340 -13.029 0.422 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.090 -10.574 1.605 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.624 -11.501 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.491 -9.494 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.845 -9.080 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.058 -8.916 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.361 -11.528 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.199 -11.011 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.056 -12.599 2.235 1.00 0.00 H new ATOM 616 N ALA A 56 -2.824 -10.667 -1.680 1.00 0.00 N ATOM 617 CA ALA A 56 -3.167 -9.920 -2.882 1.00 0.00 C ATOM 618 C ALA A 56 -4.661 -9.641 -2.933 1.00 0.00 C ATOM 619 O ALA A 56 -5.104 -8.693 -3.568 1.00 0.00 O ATOM 620 CB ALA A 56 -2.712 -10.654 -4.131 1.00 0.00 C ATOM 0 H ALA A 56 -2.444 -11.599 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.642 -8.966 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.981 -10.073 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.631 -10.788 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.197 -11.629 -4.177 1.00 0.00 H new ATOM 626 N TYR A 57 -5.437 -10.478 -2.266 1.00 0.00 N ATOM 627 CA TYR A 57 -6.867 -10.260 -2.167 1.00 0.00 C ATOM 628 C TYR A 57 -7.198 -9.228 -1.088 1.00 0.00 C ATOM 629 O TYR A 57 -8.128 -8.439 -1.234 1.00 0.00 O ATOM 630 CB TYR A 57 -7.581 -11.579 -1.908 1.00 0.00 C ATOM 631 CG TYR A 57 -7.945 -12.287 -3.192 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.069 -12.293 -4.277 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.171 -12.920 -3.333 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.408 -12.913 -5.457 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.517 -13.541 -4.517 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.633 -13.535 -5.575 1.00 0.00 C ATOM 637 OH TYR A 57 -8.981 -14.149 -6.759 1.00 0.00 O ATOM 0 H TYR A 57 -5.100 -11.313 -1.786 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.221 -9.858 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.942 -12.225 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.485 -11.394 -1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.110 -11.804 -4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.865 -12.927 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.718 -12.913 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.476 -14.029 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.876 -14.540 -6.674 1.00 0.00 H new ATOM 647 N ALA A 58 -6.427 -9.244 -0.006 1.00 0.00 N ATOM 648 CA ALA A 58 -6.607 -8.305 1.097 1.00 0.00 C ATOM 649 C ALA A 58 -6.095 -6.923 0.727 1.00 0.00 C ATOM 650 O ALA A 58 -6.691 -5.899 1.065 1.00 0.00 O ATOM 651 CB ALA A 58 -5.859 -8.805 2.321 1.00 0.00 C ATOM 0 H ALA A 58 -5.663 -9.905 0.132 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.673 -8.235 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.995 -8.102 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.247 -9.782 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.797 -8.891 2.089 1.00 0.00 H new ATOM 657 N LEU A 59 -4.977 -6.927 0.035 1.00 0.00 N ATOM 658 CA LEU A 59 -4.238 -5.727 -0.282 1.00 0.00 C ATOM 659 C LEU A 59 -4.641 -5.171 -1.640 1.00 0.00 C ATOM 660 O LEU A 59 -4.665 -3.962 -1.852 1.00 0.00 O ATOM 661 CB LEU A 59 -2.746 -6.082 -0.257 1.00 0.00 C ATOM 662 CG LEU A 59 -1.899 -5.289 0.715 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.657 -5.067 2.002 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.618 -6.034 0.998 1.00 0.00 C ATOM 0 H LEU A 59 -4.550 -7.779 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.457 -4.950 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.647 -7.141 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.342 -5.944 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.663 -4.321 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.039 -4.496 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.574 -4.515 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.906 -6.030 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.011 -5.460 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.851 -7.006 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.066 -6.174 0.069 1.00 0.00 H new ATOM 676 N GLY A 60 -4.992 -6.065 -2.542 1.00 0.00 N ATOM 677 CA GLY A 60 -5.211 -5.683 -3.918 1.00 0.00 C ATOM 678 C GLY A 60 -4.002 -6.030 -4.749 1.00 0.00 C ATOM 679 O GLY A 60 -2.904 -5.552 -4.467 1.00 0.00 O ATOM 0 H GLY A 60 -5.131 -7.056 -2.346 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.091 -6.194 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.410 -4.613 -3.980 1.00 0.00 H new ATOM 683 N THR A 61 -4.195 -6.877 -5.750 1.00 0.00 N ATOM 684 CA THR A 61 -3.089 -7.406 -6.534 1.00 0.00 C ATOM 685 C THR A 61 -2.213 -6.284 -7.092 1.00 0.00 C ATOM 686 O THR A 61 -2.716 -5.286 -7.614 1.00 0.00 O ATOM 687 CB THR A 61 -3.597 -8.302 -7.674 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.534 -7.594 -8.493 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.243 -9.550 -7.114 1.00 0.00 C ATOM 0 H THR A 61 -5.113 -7.214 -6.039 1.00 0.00 H new ATOM 0 HA THR A 61 -2.479 -8.012 -5.864 1.00 0.00 H new ATOM 0 HB THR A 61 -2.743 -8.589 -8.288 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.845 -8.179 -9.215 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.598 -10.175 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.513 -10.105 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.084 -9.271 -6.480 1.00 0.00 H new ATOM 697 N PRO A 62 -0.884 -6.445 -6.973 1.00 0.00 N ATOM 698 CA PRO A 62 0.095 -5.403 -7.311 1.00 0.00 C ATOM 699 C PRO A 62 0.076 -5.014 -8.784 1.00 0.00 C ATOM 700 O PRO A 62 -0.461 -5.721 -9.633 1.00 0.00 O ATOM 701 CB PRO A 62 1.441 -6.038 -6.948 1.00 0.00 C ATOM 702 CG PRO A 62 1.105 -7.156 -6.026 1.00 0.00 C ATOM 703 CD PRO A 62 -0.225 -7.666 -6.490 1.00 0.00 C ATOM 0 HA PRO A 62 -0.118 -4.477 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.958 -6.401 -7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.101 -5.316 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.862 -7.939 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.056 -6.812 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.121 -8.410 -7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.784 -8.136 -5.681 1.00 0.00 H new ATOM 711 N LEU A 63 0.705 -3.868 -9.043 1.00 0.00 N ATOM 712 CA LEU A 63 0.658 -3.159 -10.323 1.00 0.00 C ATOM 713 C LEU A 63 1.040 -4.051 -11.484 1.00 0.00 C ATOM 714 O LEU A 63 0.491 -3.927 -12.576 1.00 0.00 O ATOM 715 CB LEU A 63 1.633 -1.991 -10.271 1.00 0.00 C ATOM 716 CG LEU A 63 1.630 -1.210 -8.964 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.978 -0.545 -8.777 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.504 -0.184 -8.950 1.00 0.00 C ATOM 0 H LEU A 63 1.279 -3.392 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.366 -2.820 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.640 -2.369 -10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.401 -1.306 -11.087 1.00 0.00 H new ATOM 0 HG LEU A 63 1.455 -1.895 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.981 0.016 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.758 -1.306 -8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.167 0.135 -9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.521 0.362 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.638 0.514 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.454 -0.693 -9.057 1.00 0.00 H new ATOM 730 N MET A 64 2.003 -4.932 -11.238 1.00 0.00 N ATOM 731 CA MET A 64 2.457 -5.902 -12.240 1.00 0.00 C ATOM 732 C MET A 64 1.341 -6.866 -12.659 1.00 0.00 C ATOM 733 O MET A 64 1.546 -7.727 -13.515 1.00 0.00 O ATOM 734 CB MET A 64 3.670 -6.677 -11.713 1.00 0.00 C ATOM 735 CG MET A 64 3.566 -7.063 -10.247 1.00 0.00 C ATOM 736 SD MET A 64 5.086 -7.780 -9.606 1.00 0.00 S ATOM 737 CE MET A 64 4.677 -7.833 -7.867 1.00 0.00 C ATOM 0 H MET A 64 2.492 -4.998 -10.345 1.00 0.00 H new ATOM 0 HA MET A 64 2.748 -5.344 -13.130 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.797 -7.581 -12.308 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.565 -6.072 -11.856 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.311 -6.180 -9.661 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.752 -7.776 -10.121 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.582 -7.693 -7.276 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.966 -7.040 -7.636 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.233 -8.799 -7.627 1.00 0.00 H new ATOM 747 N SER A 65 0.179 -6.729 -12.020 1.00 0.00 N ATOM 748 CA SER A 65 -1.045 -7.437 -12.408 1.00 0.00 C ATOM 749 C SER A 65 -0.968 -8.933 -12.108 1.00 0.00 C ATOM 750 O SER A 65 -1.898 -9.684 -12.406 1.00 0.00 O ATOM 751 CB SER A 65 -1.359 -7.195 -13.890 1.00 0.00 C ATOM 752 OG SER A 65 -2.647 -7.679 -14.224 1.00 0.00 O ATOM 0 H SER A 65 0.058 -6.119 -11.212 1.00 0.00 H new ATOM 0 HA SER A 65 -1.858 -7.033 -11.805 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.300 -6.129 -14.108 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.610 -7.689 -14.509 1.00 0.00 H new ATOM 0 HG SER A 65 -2.811 -8.524 -13.755 1.00 0.00 H new ATOM 758 N ASP A 66 0.131 -9.353 -11.505 1.00 0.00 N ATOM 759 CA ASP A 66 0.314 -10.742 -11.126 1.00 0.00 C ATOM 760 C ASP A 66 1.236 -10.844 -9.924 1.00 0.00 C ATOM 761 O ASP A 66 2.455 -10.721 -10.033 1.00 0.00 O ATOM 762 CB ASP A 66 0.845 -11.562 -12.295 1.00 0.00 C ATOM 763 CG ASP A 66 1.205 -12.978 -11.904 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.281 -13.781 -11.663 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.410 -13.298 -11.858 1.00 0.00 O ATOM 0 H ASP A 66 0.915 -8.746 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.657 -11.153 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.094 -11.588 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.725 -11.069 -12.708 1.00 0.00 H new ATOM 770 N PRO A 67 0.630 -11.027 -8.752 1.00 0.00 N ATOM 771 CA PRO A 67 1.340 -11.086 -7.472 1.00 0.00 C ATOM 772 C PRO A 67 2.241 -12.311 -7.327 1.00 0.00 C ATOM 773 O PRO A 67 3.415 -12.181 -6.984 1.00 0.00 O ATOM 774 CB PRO A 67 0.201 -11.134 -6.445 1.00 0.00 C ATOM 775 CG PRO A 67 -0.977 -11.671 -7.187 1.00 0.00 C ATOM 776 CD PRO A 67 -0.825 -11.173 -8.596 1.00 0.00 C ATOM 0 HA PRO A 67 2.019 -10.241 -7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.459 -11.774 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.007 -10.143 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.997 -12.760 -7.156 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.911 -11.322 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.238 -11.878 -9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.342 -10.225 -8.745 1.00 0.00 H new ATOM 784 N PHE A 68 1.704 -13.493 -7.608 1.00 0.00 N ATOM 785 CA PHE A 68 2.419 -14.730 -7.353 1.00 0.00 C ATOM 786 C PHE A 68 3.434 -15.052 -8.447 1.00 0.00 C ATOM 787 O PHE A 68 3.868 -16.195 -8.586 1.00 0.00 O ATOM 788 CB PHE A 68 1.438 -15.888 -7.166 1.00 0.00 C ATOM 789 CG PHE A 68 0.249 -15.871 -8.081 1.00 0.00 C ATOM 790 CD1 PHE A 68 0.321 -16.413 -9.354 1.00 0.00 C ATOM 791 CD2 PHE A 68 -0.952 -15.328 -7.654 1.00 0.00 C ATOM 792 CE1 PHE A 68 -0.782 -16.412 -10.185 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.058 -15.321 -8.480 1.00 0.00 C ATOM 794 CZ PHE A 68 -1.974 -15.864 -9.746 1.00 0.00 C ATOM 0 H PHE A 68 0.776 -13.617 -8.012 1.00 0.00 H new ATOM 0 HA PHE A 68 2.982 -14.591 -6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.975 -16.825 -7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.084 -15.880 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.250 -16.841 -9.700 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.024 -14.905 -6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.714 -16.838 -11.175 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.987 -14.891 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.838 -15.861 -10.394 1.00 0.00 H new ATOM 804 N GLY A 69 3.806 -14.044 -9.217 1.00 0.00 N ATOM 805 CA GLY A 69 4.892 -14.202 -10.156 1.00 0.00 C ATOM 806 C GLY A 69 6.206 -13.855 -9.498 1.00 0.00 C ATOM 807 O GLY A 69 7.278 -14.253 -9.957 1.00 0.00 O ATOM 0 H GLY A 69 3.375 -13.119 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.920 -15.229 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.730 -13.560 -11.022 1.00 0.00 H new ATOM 811 N THR A 70 6.106 -13.111 -8.408 1.00 0.00 N ATOM 812 CA THR A 70 7.261 -12.727 -7.622 1.00 0.00 C ATOM 813 C THR A 70 7.064 -13.171 -6.175 1.00 0.00 C ATOM 814 O THR A 70 5.974 -13.595 -5.790 1.00 0.00 O ATOM 815 CB THR A 70 7.481 -11.201 -7.652 1.00 0.00 C ATOM 816 OG1 THR A 70 8.755 -10.872 -7.079 1.00 0.00 O ATOM 817 CG2 THR A 70 6.391 -10.494 -6.874 1.00 0.00 C ATOM 0 H THR A 70 5.220 -12.758 -8.046 1.00 0.00 H new ATOM 0 HA THR A 70 8.137 -13.212 -8.054 1.00 0.00 H new ATOM 0 HB THR A 70 7.453 -10.874 -8.691 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.884 -9.901 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.561 -9.418 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.422 -10.721 -7.318 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.404 -10.834 -5.838 1.00 0.00 H new ATOM 825 N ASN A 71 8.114 -13.050 -5.379 1.00 0.00 N ATOM 826 CA ASN A 71 8.065 -13.445 -3.974 1.00 0.00 C ATOM 827 C ASN A 71 8.432 -12.257 -3.094 1.00 0.00 C ATOM 828 O ASN A 71 8.724 -12.404 -1.904 1.00 0.00 O ATOM 829 CB ASN A 71 9.011 -14.624 -3.696 1.00 0.00 C ATOM 830 CG ASN A 71 8.588 -15.920 -4.375 1.00 0.00 C ATOM 831 OD1 ASN A 71 8.027 -15.921 -5.472 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.859 -17.037 -3.725 1.00 0.00 N ATOM 0 H ASN A 71 9.016 -12.680 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 71 7.050 -13.768 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.015 -14.360 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.066 -14.789 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.603 -17.938 -4.130 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.325 -16.999 -2.818 1.00 0.00 H new ATOM 839 N THR A 72 8.432 -11.078 -3.700 1.00 0.00 N ATOM 840 CA THR A 72 8.744 -9.846 -3.007 1.00 0.00 C ATOM 841 C THR A 72 7.801 -8.738 -3.462 1.00 0.00 C ATOM 842 O THR A 72 7.867 -8.286 -4.605 1.00 0.00 O ATOM 843 CB THR A 72 10.192 -9.427 -3.287 1.00 0.00 C ATOM 844 OG1 THR A 72 11.056 -10.566 -3.162 1.00 0.00 O ATOM 845 CG2 THR A 72 10.623 -8.358 -2.309 1.00 0.00 C ATOM 0 H THR A 72 8.214 -10.954 -4.689 1.00 0.00 H new ATOM 0 HA THR A 72 8.621 -10.012 -1.937 1.00 0.00 H new ATOM 0 HB THR A 72 10.255 -9.029 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.981 -10.297 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.653 -8.068 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.974 -7.488 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.554 -8.745 -1.293 1.00 0.00 H new ATOM 853 N TRP A 73 6.916 -8.318 -2.575 1.00 0.00 N ATOM 854 CA TRP A 73 5.893 -7.340 -2.926 1.00 0.00 C ATOM 855 C TRP A 73 6.203 -5.984 -2.310 1.00 0.00 C ATOM 856 O TRP A 73 6.677 -5.919 -1.180 1.00 0.00 O ATOM 857 CB TRP A 73 4.524 -7.834 -2.458 1.00 0.00 C ATOM 858 CG TRP A 73 4.071 -9.081 -3.157 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.698 -9.726 -4.182 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.887 -9.833 -2.885 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.982 -10.832 -4.555 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.866 -10.916 -3.776 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.842 -9.692 -1.975 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.845 -11.856 -3.781 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.828 -10.625 -1.983 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.836 -11.691 -2.882 1.00 0.00 C ATOM 0 H TRP A 73 6.882 -8.637 -1.607 1.00 0.00 H new ATOM 0 HA TRP A 73 5.882 -7.223 -4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.561 -8.021 -1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.787 -7.047 -2.620 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.626 -9.410 -4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.241 -11.486 -5.294 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.827 -8.868 -1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.851 -12.686 -4.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.013 -10.529 -1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.023 -12.402 -2.865 1.00 0.00 H new ATOM 877 N PHE A 74 5.943 -4.912 -3.053 1.00 0.00 N ATOM 878 CA PHE A 74 6.213 -3.561 -2.563 1.00 0.00 C ATOM 879 C PHE A 74 4.928 -2.741 -2.521 1.00 0.00 C ATOM 880 O PHE A 74 4.222 -2.630 -3.524 1.00 0.00 O ATOM 881 CB PHE A 74 7.238 -2.846 -3.450 1.00 0.00 C ATOM 882 CG PHE A 74 8.397 -3.710 -3.862 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.290 -4.203 -2.925 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.583 -4.034 -5.197 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.348 -5.004 -3.313 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.639 -4.835 -5.589 1.00 0.00 C ATOM 887 CZ PHE A 74 10.522 -5.320 -4.647 1.00 0.00 C ATOM 0 H PHE A 74 5.548 -4.950 -3.992 1.00 0.00 H new ATOM 0 HA PHE A 74 6.620 -3.652 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.736 -2.479 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.619 -1.974 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.159 -3.959 -1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.895 -3.656 -5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.038 -5.383 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.773 -5.081 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.348 -5.946 -4.951 1.00 0.00 H new ATOM 897 N TYR A 75 4.626 -2.181 -1.359 1.00 0.00 N ATOM 898 CA TYR A 75 3.438 -1.352 -1.185 1.00 0.00 C ATOM 899 C TYR A 75 3.774 -0.099 -0.397 1.00 0.00 C ATOM 900 O TYR A 75 4.890 0.055 0.093 1.00 0.00 O ATOM 901 CB TYR A 75 2.335 -2.124 -0.464 1.00 0.00 C ATOM 902 CG TYR A 75 1.975 -3.425 -1.120 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.311 -3.464 -2.338 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.302 -4.611 -0.509 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.987 -4.666 -2.927 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.987 -5.820 -1.084 1.00 0.00 C ATOM 907 CZ TYR A 75 1.326 -5.843 -2.298 1.00 0.00 C ATOM 908 OH TYR A 75 0.999 -7.039 -2.883 1.00 0.00 O ATOM 0 H TYR A 75 5.190 -2.286 -0.516 1.00 0.00 H new ATOM 0 HA TYR A 75 3.082 -1.070 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.652 -2.320 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.444 -1.498 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.045 -2.540 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.816 -4.594 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.471 -4.685 -3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.254 -6.743 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 75 1.631 -7.729 -2.592 1.00 0.00 H new ATOM 918 N VAL A 76 2.801 0.783 -0.269 1.00 0.00 N ATOM 919 CA VAL A 76 2.990 2.059 0.396 1.00 0.00 C ATOM 920 C VAL A 76 2.000 2.187 1.552 1.00 0.00 C ATOM 921 O VAL A 76 0.926 1.590 1.528 1.00 0.00 O ATOM 922 CB VAL A 76 2.827 3.221 -0.625 1.00 0.00 C ATOM 923 CG1 VAL A 76 1.624 2.989 -1.525 1.00 0.00 C ATOM 924 CG2 VAL A 76 2.724 4.584 0.046 1.00 0.00 C ATOM 0 H VAL A 76 1.856 0.635 -0.623 1.00 0.00 H new ATOM 0 HA VAL A 76 3.999 2.114 0.805 1.00 0.00 H new ATOM 0 HB VAL A 76 3.733 3.226 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.532 3.815 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.755 2.057 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.721 2.928 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.612 5.357 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.859 4.599 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.628 4.774 0.625 1.00 0.00 H new ATOM 934 N PHE A 77 2.392 2.926 2.576 1.00 0.00 N ATOM 935 CA PHE A 77 1.523 3.169 3.715 1.00 0.00 C ATOM 936 C PHE A 77 0.635 4.374 3.461 1.00 0.00 C ATOM 937 O PHE A 77 0.685 4.987 2.397 1.00 0.00 O ATOM 938 CB PHE A 77 2.330 3.409 4.993 1.00 0.00 C ATOM 939 CG PHE A 77 2.944 2.180 5.601 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.362 0.936 5.436 1.00 0.00 C ATOM 941 CD2 PHE A 77 4.098 2.280 6.361 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.921 -0.184 6.014 1.00 0.00 C ATOM 943 CE2 PHE A 77 4.660 1.161 6.943 1.00 0.00 C ATOM 944 CZ PHE A 77 4.069 -0.073 6.769 1.00 0.00 C ATOM 0 H PHE A 77 3.308 3.369 2.642 1.00 0.00 H new ATOM 0 HA PHE A 77 0.909 2.278 3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.125 4.122 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.679 3.875 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.461 0.841 4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.564 3.245 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.459 -1.150 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.560 1.252 7.533 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.505 -0.951 7.223 1.00 0.00 H new ATOM 954 N ARG A 78 -0.170 4.726 4.450 1.00 0.00 N ATOM 955 CA ARG A 78 -1.052 5.863 4.313 1.00 0.00 C ATOM 956 C ARG A 78 -0.244 7.143 4.490 1.00 0.00 C ATOM 957 O ARG A 78 0.927 7.069 4.857 1.00 0.00 O ATOM 958 CB ARG A 78 -2.217 5.777 5.300 1.00 0.00 C ATOM 959 CG ARG A 78 -1.826 5.912 6.758 1.00 0.00 C ATOM 960 CD ARG A 78 -3.032 5.712 7.662 1.00 0.00 C ATOM 961 NE ARG A 78 -2.788 6.157 9.029 1.00 0.00 N ATOM 962 CZ ARG A 78 -3.761 6.475 9.888 1.00 0.00 C ATOM 963 NH1 ARG A 78 -5.033 6.406 9.517 1.00 0.00 N ATOM 964 NH2 ARG A 78 -3.462 6.881 11.117 1.00 0.00 N ATOM 0 H ARG A 78 -0.228 4.243 5.347 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.493 5.866 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.938 6.558 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.723 4.822 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.057 5.179 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.394 6.897 6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.883 6.257 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.304 4.657 7.670 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.822 6.230 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.273 6.109 8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.771 6.650 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.487 6.951 11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.208 7.123 11.770 1.00 0.00 H new ATOM 978 N GLN A 79 -0.852 8.294 4.198 1.00 0.00 N ATOM 979 CA GLN A 79 -0.142 9.572 4.196 1.00 0.00 C ATOM 980 C GLN A 79 0.725 9.757 5.441 1.00 0.00 C ATOM 981 O GLN A 79 0.224 10.050 6.529 1.00 0.00 O ATOM 982 CB GLN A 79 -1.127 10.724 4.079 1.00 0.00 C ATOM 983 CG GLN A 79 -0.512 11.980 3.490 1.00 0.00 C ATOM 984 CD GLN A 79 -1.489 13.135 3.443 1.00 0.00 C ATOM 985 OE1 GLN A 79 -2.244 13.283 2.483 1.00 0.00 O ATOM 986 NE2 GLN A 79 -1.475 13.961 4.474 1.00 0.00 N ATOM 0 H GLN A 79 -1.841 8.366 3.959 1.00 0.00 H new ATOM 0 HA GLN A 79 0.521 9.567 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.967 10.413 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.528 10.952 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.357 12.267 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.156 11.768 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.831 13.799 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.108 14.761 4.495 1.00 0.00 H new ATOM 995 N GLN A 80 2.026 9.564 5.262 1.00 0.00 N ATOM 996 CA GLN A 80 2.988 9.717 6.334 1.00 0.00 C ATOM 997 C GLN A 80 3.835 10.965 6.128 1.00 0.00 C ATOM 998 O GLN A 80 4.257 11.267 5.009 1.00 0.00 O ATOM 999 CB GLN A 80 3.878 8.476 6.430 1.00 0.00 C ATOM 1000 CG GLN A 80 4.306 7.904 5.087 1.00 0.00 C ATOM 1001 CD GLN A 80 5.199 6.689 5.233 1.00 0.00 C ATOM 1002 OE1 GLN A 80 6.422 6.798 5.261 1.00 0.00 O ATOM 1003 NE2 GLN A 80 4.593 5.523 5.341 1.00 0.00 N ATOM 0 H GLN A 80 2.439 9.297 4.368 1.00 0.00 H new ATOM 0 HA GLN A 80 2.442 9.829 7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.769 8.727 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.346 7.705 6.987 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.420 7.633 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.832 8.672 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.575 5.473 5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.143 4.671 5.452 1.00 0.00 H new ATOM 1012 N PRO A 81 4.073 11.713 7.212 1.00 0.00 N ATOM 1013 CA PRO A 81 4.871 12.942 7.185 1.00 0.00 C ATOM 1014 C PRO A 81 6.349 12.668 6.934 1.00 0.00 C ATOM 1015 O PRO A 81 7.052 12.167 7.815 1.00 0.00 O ATOM 1016 CB PRO A 81 4.678 13.538 8.588 1.00 0.00 C ATOM 1017 CG PRO A 81 3.550 12.777 9.201 1.00 0.00 C ATOM 1018 CD PRO A 81 3.569 11.423 8.561 1.00 0.00 C ATOM 0 HA PRO A 81 4.556 13.605 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.586 13.439 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.448 14.602 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.673 12.700 10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 81 2.599 13.279 9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.219 10.731 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.577 10.973 8.535 1.00 0.00 H new ATOM 1026 N GLY A 82 6.816 12.994 5.736 1.00 0.00 N ATOM 1027 CA GLY A 82 8.203 12.759 5.392 1.00 0.00 C ATOM 1028 C GLY A 82 8.994 14.045 5.263 1.00 0.00 C ATOM 1029 O GLY A 82 8.471 15.127 5.528 1.00 0.00 O ATOM 0 H GLY A 82 6.257 13.418 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.661 12.129 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.253 12.209 4.452 1.00 0.00 H new ATOM 1033 N HIS A 83 10.256 13.932 4.854 1.00 0.00 N ATOM 1034 CA HIS A 83 11.127 15.101 4.735 1.00 0.00 C ATOM 1035 C HIS A 83 12.096 14.954 3.560 1.00 0.00 C ATOM 1036 O HIS A 83 13.135 15.611 3.519 1.00 0.00 O ATOM 1037 CB HIS A 83 11.918 15.315 6.038 1.00 0.00 C ATOM 1038 CG HIS A 83 12.925 14.235 6.344 1.00 0.00 C ATOM 1039 ND1 HIS A 83 12.663 13.154 7.162 1.00 0.00 N ATOM 1040 CD2 HIS A 83 14.200 14.074 5.919 1.00 0.00 C ATOM 1041 CE1 HIS A 83 13.733 12.383 7.223 1.00 0.00 C ATOM 1042 NE2 HIS A 83 14.678 12.918 6.479 1.00 0.00 N ATOM 0 H HIS A 83 10.697 13.048 4.600 1.00 0.00 H new ATOM 0 HA HIS A 83 10.494 15.969 4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.437 16.272 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.215 15.384 6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.742 14.736 5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.819 11.467 7.789 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.613 12.535 6.342 1.00 0.00 H new ATOM 1051 N GLU A 84 11.756 14.098 2.610 1.00 0.00 N ATOM 1052 CA GLU A 84 12.670 13.768 1.523 1.00 0.00 C ATOM 1053 C GLU A 84 11.876 13.483 0.254 1.00 0.00 C ATOM 1054 O GLU A 84 10.647 13.408 0.310 1.00 0.00 O ATOM 1055 CB GLU A 84 13.517 12.554 1.926 1.00 0.00 C ATOM 1056 CG GLU A 84 14.755 12.322 1.074 1.00 0.00 C ATOM 1057 CD GLU A 84 15.687 11.295 1.687 1.00 0.00 C ATOM 1058 OE1 GLU A 84 16.197 11.544 2.797 1.00 0.00 O ATOM 1059 OE2 GLU A 84 15.912 10.230 1.073 1.00 0.00 O ATOM 0 H GLU A 84 10.857 13.619 2.567 1.00 0.00 H new ATOM 0 HA GLU A 84 13.336 14.608 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.826 12.674 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.891 11.663 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.453 11.990 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.288 13.264 0.947 1.00 0.00 H new ATOM 1066 N GLY A 85 12.566 13.348 -0.879 1.00 0.00 N ATOM 1067 CA GLY A 85 11.897 13.007 -2.125 1.00 0.00 C ATOM 1068 C GLY A 85 11.054 11.765 -1.960 1.00 0.00 C ATOM 1069 O GLY A 85 9.828 11.809 -2.087 1.00 0.00 O ATOM 0 H GLY A 85 13.576 13.469 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 85 11.269 13.838 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.638 12.848 -2.909 1.00 0.00 H new ATOM 1073 N VAL A 86 11.710 10.660 -1.670 1.00 0.00 N ATOM 1074 CA VAL A 86 11.022 9.481 -1.198 1.00 0.00 C ATOM 1075 C VAL A 86 11.530 9.143 0.185 1.00 0.00 C ATOM 1076 O VAL A 86 12.729 9.007 0.412 1.00 0.00 O ATOM 1077 CB VAL A 86 11.206 8.258 -2.097 1.00 0.00 C ATOM 1078 CG1 VAL A 86 10.363 7.098 -1.589 1.00 0.00 C ATOM 1079 CG2 VAL A 86 10.873 8.588 -3.544 1.00 0.00 C ATOM 0 H VAL A 86 12.721 10.556 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 86 9.958 9.717 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 86 12.254 7.960 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.504 6.234 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.669 6.843 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.311 7.385 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.013 7.700 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.837 8.918 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.531 9.382 -3.897 1.00 0.00 H new ATOM 1089 N THR A 87 10.606 9.020 1.090 1.00 0.00 N ATOM 1090 CA THR A 87 10.908 8.776 2.485 1.00 0.00 C ATOM 1091 C THR A 87 9.851 7.845 3.053 1.00 0.00 C ATOM 1092 O THR A 87 9.749 7.634 4.261 1.00 0.00 O ATOM 1093 CB THR A 87 10.927 10.108 3.263 1.00 0.00 C ATOM 1094 OG1 THR A 87 11.213 9.898 4.652 1.00 0.00 O ATOM 1095 CG2 THR A 87 9.591 10.814 3.107 1.00 0.00 C ATOM 0 H THR A 87 9.608 9.085 0.888 1.00 0.00 H new ATOM 0 HA THR A 87 11.891 8.314 2.579 1.00 0.00 H new ATOM 0 HB THR A 87 11.719 10.732 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.735 9.103 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.610 11.754 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.407 11.016 2.052 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.796 10.179 3.499 1.00 0.00 H new ATOM 1103 N GLN A 88 9.072 7.298 2.140 1.00 0.00 N ATOM 1104 CA GLN A 88 7.988 6.427 2.440 1.00 0.00 C ATOM 1105 C GLN A 88 8.510 5.100 2.958 1.00 0.00 C ATOM 1106 O GLN A 88 9.386 4.496 2.345 1.00 0.00 O ATOM 1107 CB GLN A 88 7.245 6.234 1.131 1.00 0.00 C ATOM 1108 CG GLN A 88 6.538 4.933 1.025 1.00 0.00 C ATOM 1109 CD GLN A 88 5.316 4.850 1.910 1.00 0.00 C ATOM 1110 OE1 GLN A 88 4.935 3.774 2.353 1.00 0.00 O ATOM 1111 NE2 GLN A 88 4.691 5.988 2.185 1.00 0.00 N ATOM 0 H GLN A 88 9.193 7.463 1.141 1.00 0.00 H new ATOM 0 HA GLN A 88 7.338 6.838 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.521 7.040 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.953 6.319 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.241 4.771 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.226 4.130 1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.037 6.866 1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.865 5.984 2.783 1.00 0.00 H new ATOM 1120 N GLN A 89 8.000 4.657 4.088 1.00 0.00 N ATOM 1121 CA GLN A 89 8.322 3.333 4.560 1.00 0.00 C ATOM 1122 C GLN A 89 7.406 2.326 3.880 1.00 0.00 C ATOM 1123 O GLN A 89 6.238 2.188 4.232 1.00 0.00 O ATOM 1124 CB GLN A 89 8.211 3.250 6.080 1.00 0.00 C ATOM 1125 CG GLN A 89 9.035 4.309 6.792 1.00 0.00 C ATOM 1126 CD GLN A 89 9.119 4.086 8.289 1.00 0.00 C ATOM 1127 OE1 GLN A 89 8.226 3.497 8.896 1.00 0.00 O ATOM 1128 NE2 GLN A 89 10.190 4.566 8.898 1.00 0.00 N ATOM 0 H GLN A 89 7.369 5.189 4.688 1.00 0.00 H new ATOM 0 HA GLN A 89 9.356 3.100 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.165 3.355 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.535 2.263 6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.042 4.320 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.600 5.290 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.909 5.049 8.360 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.297 4.453 9.906 1.00 0.00 H new ATOM 1137 N THR A 90 7.964 1.623 2.909 1.00 0.00 N ATOM 1138 CA THR A 90 7.206 0.754 2.035 1.00 0.00 C ATOM 1139 C THR A 90 7.062 -0.645 2.610 1.00 0.00 C ATOM 1140 O THR A 90 7.905 -1.107 3.385 1.00 0.00 O ATOM 1141 CB THR A 90 7.910 0.656 0.679 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.327 0.522 0.872 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.619 1.876 -0.169 1.00 0.00 C ATOM 0 H THR A 90 8.963 1.642 2.706 1.00 0.00 H new ATOM 0 HA THR A 90 6.210 1.184 1.927 1.00 0.00 H new ATOM 0 HB THR A 90 7.531 -0.223 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.771 0.458 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.130 1.783 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.545 1.955 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.972 2.770 0.346 1.00 0.00 H new ATOM 1151 N LEU A 91 5.993 -1.316 2.215 1.00 0.00 N ATOM 1152 CA LEU A 91 5.736 -2.669 2.660 1.00 0.00 C ATOM 1153 C LEU A 91 6.384 -3.649 1.700 1.00 0.00 C ATOM 1154 O LEU A 91 5.998 -3.727 0.538 1.00 0.00 O ATOM 1155 CB LEU A 91 4.232 -2.953 2.718 1.00 0.00 C ATOM 1156 CG LEU A 91 3.866 -4.248 3.437 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.140 -4.109 4.915 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.420 -4.642 3.226 1.00 0.00 C ATOM 0 H LEU A 91 5.287 -0.940 1.583 1.00 0.00 H new ATOM 0 HA LEU A 91 6.154 -2.784 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.736 -2.121 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.842 -2.993 1.701 1.00 0.00 H new ATOM 0 HG LEU A 91 4.485 -5.037 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.877 -5.037 5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.198 -3.898 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.544 -3.292 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.214 -5.570 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.769 -3.854 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.234 -4.786 2.162 1.00 0.00 H new ATOM 1170 N THR A 92 7.372 -4.374 2.180 1.00 0.00 N ATOM 1171 CA THR A 92 8.030 -5.379 1.384 1.00 0.00 C ATOM 1172 C THR A 92 7.628 -6.746 1.896 1.00 0.00 C ATOM 1173 O THR A 92 8.100 -7.200 2.932 1.00 0.00 O ATOM 1174 CB THR A 92 9.557 -5.235 1.436 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.925 -3.897 1.073 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.219 -6.228 0.493 1.00 0.00 C ATOM 0 H THR A 92 7.737 -4.282 3.128 1.00 0.00 H new ATOM 0 HA THR A 92 7.723 -5.254 0.346 1.00 0.00 H new ATOM 0 HB THR A 92 9.896 -5.443 2.451 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.728 -3.920 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.302 -6.111 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.949 -7.243 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.881 -6.042 -0.527 1.00 0.00 H new ATOM 1184 N LEU A 93 6.736 -7.394 1.196 1.00 0.00 N ATOM 1185 CA LEU A 93 6.202 -8.635 1.694 1.00 0.00 C ATOM 1186 C LEU A 93 7.103 -9.796 1.306 1.00 0.00 C ATOM 1187 O LEU A 93 7.381 -10.013 0.126 1.00 0.00 O ATOM 1188 CB LEU A 93 4.779 -8.856 1.201 1.00 0.00 C ATOM 1189 CG LEU A 93 3.909 -9.563 2.203 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.757 -8.696 3.433 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.562 -9.886 1.622 1.00 0.00 C ATOM 0 H LEU A 93 6.368 -7.091 0.294 1.00 0.00 H new ATOM 0 HA LEU A 93 6.168 -8.580 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.332 -7.892 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.807 -9.437 0.279 1.00 0.00 H new ATOM 0 HG LEU A 93 4.385 -10.505 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.127 -9.206 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.738 -8.509 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.297 -7.748 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.956 -10.397 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.065 -8.964 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.686 -10.532 0.753 1.00 0.00 H new ATOM 1203 N THR A 94 7.579 -10.519 2.315 1.00 0.00 N ATOM 1204 CA THR A 94 8.497 -11.599 2.116 1.00 0.00 C ATOM 1205 C THR A 94 7.776 -12.944 2.162 1.00 0.00 C ATOM 1206 O THR A 94 7.154 -13.301 3.176 1.00 0.00 O ATOM 1207 CB THR A 94 9.588 -11.551 3.192 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.420 -10.398 3.005 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.413 -12.809 3.154 1.00 0.00 C ATOM 0 H THR A 94 7.329 -10.360 3.291 1.00 0.00 H new ATOM 0 HA THR A 94 8.952 -11.491 1.131 1.00 0.00 H new ATOM 0 HB THR A 94 9.113 -11.479 4.170 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.112 -10.378 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.184 -12.762 3.923 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.771 -13.671 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.882 -12.907 2.175 1.00 0.00 H new ATOM 1217 N PHE A 95 7.867 -13.671 1.054 1.00 0.00 N ATOM 1218 CA PHE A 95 7.237 -14.977 0.924 1.00 0.00 C ATOM 1219 C PHE A 95 8.283 -16.071 0.802 1.00 0.00 C ATOM 1220 O PHE A 95 9.283 -15.920 0.096 1.00 0.00 O ATOM 1221 CB PHE A 95 6.327 -15.013 -0.303 1.00 0.00 C ATOM 1222 CG PHE A 95 5.055 -14.250 -0.126 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.999 -14.822 0.548 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.911 -12.972 -0.632 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.817 -14.144 0.724 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.728 -12.284 -0.461 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.680 -12.875 0.219 1.00 0.00 C ATOM 0 H PHE A 95 8.378 -13.372 0.224 1.00 0.00 H new ATOM 0 HA PHE A 95 6.643 -15.150 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.868 -14.608 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.089 -16.050 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.102 -15.821 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.729 -12.510 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.000 -14.607 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.621 -11.285 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.753 -12.338 0.353 1.00 0.00 H new ATOM 1237 N ASN A 96 8.055 -17.164 1.511 1.00 0.00 N ATOM 1238 CA ASN A 96 8.928 -18.328 1.421 1.00 0.00 C ATOM 1239 C ASN A 96 8.686 -19.092 0.122 1.00 0.00 C ATOM 1240 O ASN A 96 7.853 -18.686 -0.691 1.00 0.00 O ATOM 1241 CB ASN A 96 8.741 -19.255 2.628 1.00 0.00 C ATOM 1242 CG ASN A 96 7.314 -19.752 2.798 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.573 -19.936 1.830 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.925 -19.973 4.038 1.00 0.00 N ATOM 0 H ASN A 96 7.273 -17.272 2.157 1.00 0.00 H new ATOM 0 HA ASN A 96 9.957 -17.969 1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.406 -20.113 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.043 -18.726 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.980 -20.309 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.569 -19.808 4.812 1.00 0.00 H new ATOM 1251 N SER A 97 9.387 -20.201 -0.054 1.00 0.00 N ATOM 1252 CA SER A 97 9.302 -20.990 -1.276 1.00 0.00 C ATOM 1253 C SER A 97 7.861 -21.361 -1.647 1.00 0.00 C ATOM 1254 O SER A 97 7.515 -21.418 -2.829 1.00 0.00 O ATOM 1255 CB SER A 97 10.131 -22.260 -1.124 1.00 0.00 C ATOM 1256 OG SER A 97 11.484 -21.954 -0.826 1.00 0.00 O ATOM 0 H SER A 97 10.029 -20.580 0.642 1.00 0.00 H new ATOM 0 HA SER A 97 9.693 -20.371 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.712 -22.879 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.081 -22.843 -2.044 1.00 0.00 H new ATOM 0 HG SER A 97 11.994 -22.785 -0.732 1.00 0.00 H new ATOM 1262 N SER A 98 7.011 -21.587 -0.653 1.00 0.00 N ATOM 1263 CA SER A 98 5.674 -22.087 -0.916 1.00 0.00 C ATOM 1264 C SER A 98 4.724 -20.941 -1.271 1.00 0.00 C ATOM 1265 O SER A 98 3.598 -21.165 -1.716 1.00 0.00 O ATOM 1266 CB SER A 98 5.160 -22.861 0.300 1.00 0.00 C ATOM 1267 OG SER A 98 4.007 -23.621 -0.020 1.00 0.00 O ATOM 0 H SER A 98 7.224 -21.433 0.333 1.00 0.00 H new ATOM 0 HA SER A 98 5.715 -22.762 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.943 -23.523 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.926 -22.164 1.105 1.00 0.00 H new ATOM 0 HG SER A 98 3.517 -23.182 -0.746 1.00 0.00 H new ATOM 1273 N GLY A 99 5.186 -19.712 -1.094 1.00 0.00 N ATOM 1274 CA GLY A 99 4.343 -18.563 -1.357 1.00 0.00 C ATOM 1275 C GLY A 99 3.539 -18.201 -0.132 1.00 0.00 C ATOM 1276 O GLY A 99 2.421 -17.691 -0.222 1.00 0.00 O ATOM 0 H GLY A 99 6.128 -19.489 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.958 -17.715 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.672 -18.780 -2.188 1.00 0.00 H new ATOM 1280 N VAL A 100 4.118 -18.496 1.015 1.00 0.00 N ATOM 1281 CA VAL A 100 3.483 -18.254 2.293 1.00 0.00 C ATOM 1282 C VAL A 100 4.167 -17.083 2.981 1.00 0.00 C ATOM 1283 O VAL A 100 5.391 -16.945 2.894 1.00 0.00 O ATOM 1284 CB VAL A 100 3.589 -19.501 3.188 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.759 -19.338 4.451 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.181 -20.750 2.421 1.00 0.00 C ATOM 0 H VAL A 100 5.047 -18.912 1.086 1.00 0.00 H new ATOM 0 HA VAL A 100 2.430 -18.026 2.127 1.00 0.00 H new ATOM 0 HB VAL A 100 4.630 -19.615 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.852 -20.234 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.116 -18.474 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.713 -19.189 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.263 -21.620 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.151 -20.648 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.836 -20.878 1.560 1.00 0.00 H new ATOM 1296 N LEU A 101 3.385 -16.226 3.628 1.00 0.00 N ATOM 1297 CA LEU A 101 3.932 -15.091 4.336 1.00 0.00 C ATOM 1298 C LEU A 101 4.840 -15.515 5.460 1.00 0.00 C ATOM 1299 O LEU A 101 4.455 -16.292 6.335 1.00 0.00 O ATOM 1300 CB LEU A 101 2.818 -14.226 4.888 1.00 0.00 C ATOM 1301 CG LEU A 101 2.517 -13.003 4.052 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.465 -12.155 4.725 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.779 -12.204 3.823 1.00 0.00 C ATOM 0 H LEU A 101 2.369 -16.302 3.673 1.00 0.00 H new ATOM 0 HA LEU A 101 4.522 -14.519 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.913 -14.827 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.084 -13.908 5.896 1.00 0.00 H new ATOM 0 HG LEU A 101 2.132 -13.324 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.258 -11.278 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.551 -12.737 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.825 -11.837 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.549 -11.326 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.189 -11.888 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.511 -12.821 3.302 1.00 0.00 H new ATOM 1315 N THR A 102 6.046 -14.997 5.422 1.00 0.00 N ATOM 1316 CA THR A 102 6.998 -15.217 6.487 1.00 0.00 C ATOM 1317 C THR A 102 7.200 -13.928 7.256 1.00 0.00 C ATOM 1318 O THR A 102 7.175 -13.911 8.489 1.00 0.00 O ATOM 1319 CB THR A 102 8.353 -15.720 5.949 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.103 -14.643 5.380 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.133 -16.765 4.883 1.00 0.00 C ATOM 0 H THR A 102 6.393 -14.416 4.659 1.00 0.00 H new ATOM 0 HA THR A 102 6.596 -15.988 7.145 1.00 0.00 H new ATOM 0 HB THR A 102 8.906 -16.148 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.960 -14.982 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.096 -17.113 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.582 -17.605 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.561 -16.332 4.062 1.00 0.00 H new ATOM 1329 N ASN A 103 7.368 -12.836 6.521 1.00 0.00 N ATOM 1330 CA ASN A 103 7.562 -11.532 7.148 1.00 0.00 C ATOM 1331 C ASN A 103 6.783 -10.451 6.434 1.00 0.00 C ATOM 1332 O ASN A 103 6.487 -10.548 5.240 1.00 0.00 O ATOM 1333 CB ASN A 103 9.035 -11.105 7.172 1.00 0.00 C ATOM 1334 CG ASN A 103 9.882 -11.788 8.237 1.00 0.00 C ATOM 1335 OD1 ASN A 103 9.664 -12.940 8.602 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.870 -11.068 8.742 1.00 0.00 N ATOM 0 H ASN A 103 7.374 -12.825 5.501 1.00 0.00 H new ATOM 0 HA ASN A 103 7.202 -11.648 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.473 -11.308 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.083 -10.027 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.478 -11.467 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.024 -10.114 8.416 1.00 0.00 H new ATOM 1343 N ILE A 104 6.481 -9.411 7.181 1.00 0.00 N ATOM 1344 CA ILE A 104 5.907 -8.200 6.628 1.00 0.00 C ATOM 1345 C ILE A 104 6.949 -7.102 6.790 1.00 0.00 C ATOM 1346 O ILE A 104 7.010 -6.451 7.831 1.00 0.00 O ATOM 1347 CB ILE A 104 4.622 -7.756 7.371 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.759 -8.953 7.811 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.814 -6.791 6.505 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.129 -9.746 6.688 1.00 0.00 C ATOM 0 H ILE A 104 6.626 -9.380 8.190 1.00 0.00 H new ATOM 0 HA ILE A 104 5.637 -8.385 5.588 1.00 0.00 H new ATOM 0 HB ILE A 104 4.932 -7.240 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.377 -9.626 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.966 -8.587 8.464 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.914 -6.488 7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.417 -5.911 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.534 -7.285 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.543 -10.565 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.478 -9.095 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.911 -10.150 6.045 1.00 0.00 H new ATOM 1362 N ASP A 105 7.768 -6.897 5.771 1.00 0.00 N ATOM 1363 CA ASP A 105 8.917 -6.006 5.897 1.00 0.00 C ATOM 1364 C ASP A 105 8.522 -4.571 5.629 1.00 0.00 C ATOM 1365 O ASP A 105 8.455 -4.136 4.487 1.00 0.00 O ATOM 1366 CB ASP A 105 10.020 -6.425 4.928 1.00 0.00 C ATOM 1367 CG ASP A 105 11.312 -5.675 5.153 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.961 -5.911 6.192 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.688 -4.863 4.290 1.00 0.00 O ATOM 0 H ASP A 105 7.663 -7.330 4.853 1.00 0.00 H new ATOM 0 HA ASP A 105 9.288 -6.079 6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.203 -7.494 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.682 -6.258 3.905 1.00 0.00 H new ATOM 1374 N ASN A 106 8.255 -3.835 6.682 1.00 0.00 N ATOM 1375 CA ASN A 106 7.889 -2.449 6.540 1.00 0.00 C ATOM 1376 C ASN A 106 9.050 -1.557 6.951 1.00 0.00 C ATOM 1377 O ASN A 106 9.340 -1.367 8.133 1.00 0.00 O ATOM 1378 CB ASN A 106 6.607 -2.152 7.328 1.00 0.00 C ATOM 1379 CG ASN A 106 6.617 -2.664 8.757 1.00 0.00 C ATOM 1380 OD1 ASN A 106 7.032 -1.969 9.683 1.00 0.00 O ATOM 1381 ND2 ASN A 106 6.145 -3.888 8.948 1.00 0.00 N ATOM 0 H ASN A 106 8.285 -4.173 7.644 1.00 0.00 H new ATOM 0 HA ASN A 106 7.674 -2.233 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.445 -1.074 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.761 -2.595 6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.117 -4.283 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.809 -4.435 8.155 1.00 0.00 H new ATOM 1388 N LYS A 107 9.719 -1.029 5.941 1.00 0.00 N ATOM 1389 CA LYS A 107 10.917 -0.227 6.121 1.00 0.00 C ATOM 1390 C LYS A 107 10.925 0.906 5.094 1.00 0.00 C ATOM 1391 O LYS A 107 10.205 0.841 4.101 1.00 0.00 O ATOM 1392 CB LYS A 107 12.150 -1.110 5.927 1.00 0.00 C ATOM 1393 CG LYS A 107 12.375 -1.481 4.481 1.00 0.00 C ATOM 1394 CD LYS A 107 13.631 -2.310 4.281 1.00 0.00 C ATOM 1395 CE LYS A 107 13.786 -2.731 2.829 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.584 -3.450 2.326 1.00 0.00 N ATOM 0 H LYS A 107 9.444 -1.145 4.966 1.00 0.00 H new ATOM 0 HA LYS A 107 10.931 0.196 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.029 -0.589 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.039 -2.019 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.513 -2.039 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.444 -0.572 3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.503 -1.734 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.591 -3.195 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.966 -1.850 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.661 -3.373 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.881 -4.233 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.044 -3.828 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.986 -2.792 1.786 1.00 0.00 H new ATOM 1410 N PRO A 108 11.763 1.935 5.288 1.00 0.00 N ATOM 1411 CA PRO A 108 11.750 3.122 4.446 1.00 0.00 C ATOM 1412 C PRO A 108 12.408 2.896 3.091 1.00 0.00 C ATOM 1413 O PRO A 108 13.407 2.181 2.978 1.00 0.00 O ATOM 1414 CB PRO A 108 12.529 4.156 5.250 1.00 0.00 C ATOM 1415 CG PRO A 108 13.326 3.408 6.266 1.00 0.00 C ATOM 1416 CD PRO A 108 12.806 1.994 6.319 1.00 0.00 C ATOM 0 HA PRO A 108 10.730 3.428 4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 108 13.182 4.738 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.851 4.860 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 108 14.383 3.415 6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 108 13.239 3.883 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.599 1.274 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 108 12.402 1.759 7.304 1.00 0.00 H new ATOM 1424 N ALA A 109 11.836 3.519 2.068 1.00 0.00 N ATOM 1425 CA ALA A 109 12.313 3.362 0.705 1.00 0.00 C ATOM 1426 C ALA A 109 13.436 4.309 0.368 1.00 0.00 C ATOM 1427 O ALA A 109 13.898 5.097 1.194 1.00 0.00 O ATOM 1428 CB ALA A 109 11.196 3.583 -0.277 1.00 0.00 C ATOM 0 H ALA A 109 11.034 4.142 2.161 1.00 0.00 H new ATOM 0 HA ALA A 109 12.690 2.342 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.574 3.461 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.403 2.857 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.800 4.591 -0.156 1.00 0.00 H new ATOM 1434 N LEU A 110 13.833 4.228 -0.884 1.00 0.00 N ATOM 1435 CA LEU A 110 14.915 5.021 -1.420 1.00 0.00 C ATOM 1436 C LEU A 110 14.339 6.194 -2.201 1.00 0.00 C ATOM 1437 O LEU A 110 13.391 6.027 -2.966 1.00 0.00 O ATOM 1438 CB LEU A 110 15.756 4.141 -2.337 1.00 0.00 C ATOM 1439 CG LEU A 110 15.846 2.682 -1.891 1.00 0.00 C ATOM 1440 CD1 LEU A 110 16.498 1.826 -2.957 1.00 0.00 C ATOM 1441 CD2 LEU A 110 16.617 2.558 -0.590 1.00 0.00 C ATOM 0 H LEU A 110 13.407 3.601 -1.566 1.00 0.00 H new ATOM 0 HA LEU A 110 15.539 5.407 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.337 4.177 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.763 4.554 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 110 14.828 2.326 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.549 0.793 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.909 1.875 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.505 2.193 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 110 16.666 1.510 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 110 17.627 2.944 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.112 3.131 0.188 1.00 0.00 H new ATOM 1453 N SER A 111 14.907 7.369 -2.003 1.00 0.00 N ATOM 1454 CA SER A 111 14.435 8.587 -2.659 1.00 0.00 C ATOM 1455 C SER A 111 14.699 8.576 -4.171 1.00 0.00 C ATOM 1456 O SER A 111 14.477 9.572 -4.858 1.00 0.00 O ATOM 1457 CB SER A 111 15.089 9.815 -2.016 1.00 0.00 C ATOM 1458 OG SER A 111 14.451 11.018 -2.421 1.00 0.00 O ATOM 0 H SER A 111 15.706 7.512 -1.386 1.00 0.00 H new ATOM 0 HA SER A 111 13.355 8.633 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 111 15.044 9.726 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.144 9.852 -2.289 1.00 0.00 H new ATOM 0 HG SER A 111 14.277 10.987 -3.385 1.00 0.00 H new ATOM 1464 N GLY A 112 15.161 7.448 -4.684 1.00 0.00 N ATOM 1465 CA GLY A 112 15.392 7.315 -6.106 1.00 0.00 C ATOM 1466 C GLY A 112 14.469 6.310 -6.729 1.00 0.00 C ATOM 1467 O GLY A 112 14.751 5.723 -7.773 1.00 0.00 O ATOM 0 H GLY A 112 15.382 6.616 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 112 15.255 8.283 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 112 16.426 7.016 -6.280 1.00 0.00 H new ATOM 1471 N ASN A 113 13.370 6.110 -6.059 1.00 0.00 N ATOM 1472 CA ASN A 113 12.346 5.175 -6.501 1.00 0.00 C ATOM 1473 C ASN A 113 11.305 5.895 -7.343 1.00 0.00 C ATOM 1474 O ASN A 113 11.570 6.125 -8.542 1.00 0.00 O ATOM 1475 CB ASN A 113 11.680 4.497 -5.297 1.00 0.00 C ATOM 1476 CG ASN A 113 12.514 3.370 -4.710 1.00 0.00 C ATOM 1477 OD1 ASN A 113 13.818 3.415 -4.926 1.00 0.00 O flip ATOM 1478 ND2 ASN A 113 11.984 2.458 -4.075 1.00 0.00 N flip ATOM 1479 OXT ASN A 113 10.231 6.229 -6.806 1.00 0.00 O ATOM 0 H ASN A 113 13.148 6.588 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 113 12.820 4.406 -7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.494 5.243 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.710 4.103 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.975 2.458 -3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.554 1.703 -3.695 1.00 0.00 H new TER 1486 ASN A 113