USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 723 hydrogens (15 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 NoAdj-H: A 78 ARGHH11 : A 78 ARG NH1 : B 4 MCL CX1 :(H bumps) USER MOD NoAdj-H: A 94 ARGHH21 : A 94 ARG NH2 : B 5 ALA CB :(H bumps) USER MOD NoAdj-H: B 4 MCL HZ : B 4 MCL NZ : A 78 ARG NH1 :(H bumps) USER MOD NoAdj-H: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD NoAdj-H: B 4 MCL H : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.4!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0271 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.46) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.237 F(o=-0.93,f=-0.24) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.077) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.68 K(o=-0.68,f=-4.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0255 (180deg=-0.0255) USER MOD Single : A 34 ASN : amide:sc= -2.65 X(o=-2.7,f=-2.4!) USER MOD Single : A 35 THR OG1 : rot 120:sc= 0.122 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00684 USER MOD Single : A 47 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.45) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.2) USER MOD Single : A 82 MET CE :methyl -119:sc= -1.37 (180deg=-8.27!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -115:sc=4.39e-05 USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= -0.966! (180deg=-1.99!) USER MOD Single : A 91 SER OG : rot 101:sc= -1.06 USER MOD Single : A 92 ASN : amide:sc= -3.47 K(o=-3.5,f=-11!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.717 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.122 F(o=-0.8,f=-0.12) USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= -0.0106 (180deg=-0.145) USER MOD Single : B 1 ASP N :NH3+ -147:sc= 0.0771 (180deg=-0.574) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.636 2.630 5.793 1.00 61.22 N ATOM 2 CA GLY A 1 13.694 1.739 6.444 1.00 14.15 C ATOM 3 C GLY A 1 14.040 0.278 6.241 1.00 35.43 C ATOM 4 O GLY A 1 15.213 -0.079 6.123 1.00 74.12 O ATOM 0 H1 GLY A 1 14.864 3.420 6.430 1.00 61.22 H new ATOM 0 H2 GLY A 1 15.506 2.108 5.564 1.00 61.22 H new ATOM 0 H3 GLY A 1 14.215 3.001 4.918 1.00 61.22 H new ATOM 0 HA2 GLY A 1 13.670 1.958 7.511 1.00 14.15 H new ATOM 0 HA3 GLY A 1 12.693 1.929 6.057 1.00 14.15 H new ATOM 8 N SER A 2 13.018 -0.571 6.201 1.00 12.32 N ATOM 9 CA SER A 2 13.220 -2.003 6.014 1.00 10.41 C ATOM 10 C SER A 2 11.898 -2.706 5.729 1.00 75.11 C ATOM 11 O SER A 2 10.844 -2.287 6.207 1.00 23.30 O ATOM 12 CB SER A 2 13.878 -2.611 7.255 1.00 3.10 C ATOM 13 OG SER A 2 13.357 -2.037 8.442 1.00 55.52 O ATOM 0 H SER A 2 12.042 -0.292 6.296 1.00 12.32 H new ATOM 0 HA SER A 2 13.877 -2.144 5.156 1.00 10.41 H new ATOM 0 HB2 SER A 2 13.714 -3.689 7.266 1.00 3.10 H new ATOM 0 HB3 SER A 2 14.956 -2.453 7.213 1.00 3.10 H new ATOM 0 HG SER A 2 13.792 -2.443 9.220 1.00 55.52 H new ATOM 18 N ALA A 3 11.961 -3.779 4.947 1.00 31.34 N ATOM 19 CA ALA A 3 10.769 -4.541 4.599 1.00 64.03 C ATOM 20 C ALA A 3 9.971 -4.912 5.844 1.00 41.42 C ATOM 21 O ALA A 3 10.378 -5.781 6.616 1.00 41.20 O ATOM 22 CB ALA A 3 11.152 -5.793 3.821 1.00 30.45 C ATOM 0 H ALA A 3 12.825 -4.140 4.543 1.00 31.34 H new ATOM 0 HA ALA A 3 10.138 -3.914 3.969 1.00 64.03 H new ATOM 0 HB1 ALA A 3 10.252 -6.353 3.567 1.00 30.45 H new ATOM 0 HB2 ALA A 3 11.672 -5.508 2.906 1.00 30.45 H new ATOM 0 HB3 ALA A 3 11.806 -6.415 4.432 1.00 30.45 H new ATOM 28 N GLN A 4 8.837 -4.250 6.033 1.00 61.51 N ATOM 29 CA GLN A 4 7.983 -4.510 7.187 1.00 24.12 C ATOM 30 C GLN A 4 6.896 -5.523 6.842 1.00 24.21 C ATOM 31 O GLN A 4 6.228 -5.407 5.816 1.00 3.13 O ATOM 32 CB GLN A 4 7.346 -3.210 7.681 1.00 5.35 C ATOM 33 CG GLN A 4 7.618 -2.919 9.149 1.00 61.52 C ATOM 34 CD GLN A 4 7.344 -4.114 10.041 1.00 72.50 C ATOM 35 OE1 GLN A 4 8.258 -4.853 10.407 1.00 41.10 O ATOM 36 NE2 GLN A 4 6.079 -4.309 10.398 1.00 54.14 N ATOM 0 H GLN A 4 8.486 -3.529 5.403 1.00 61.51 H new ATOM 0 HA GLN A 4 8.604 -4.926 7.980 1.00 24.12 H new ATOM 0 HB2 GLN A 4 7.719 -2.381 7.080 1.00 5.35 H new ATOM 0 HB3 GLN A 4 6.269 -3.260 7.522 1.00 5.35 H new ATOM 0 HG2 GLN A 4 8.657 -2.612 9.268 1.00 61.52 H new ATOM 0 HG3 GLN A 4 6.999 -2.081 9.470 1.00 61.52 H new ATOM 0 HE21 GLN A 4 5.353 -3.671 10.071 1.00 54.14 H new ATOM 0 HE22 GLN A 4 5.834 -5.096 10.999 1.00 54.14 H new ATOM 43 N ASN A 5 6.725 -6.518 7.707 1.00 13.44 N ATOM 44 CA ASN A 5 5.720 -7.553 7.495 1.00 75.33 C ATOM 45 C ASN A 5 4.394 -7.164 8.142 1.00 44.13 C ATOM 46 O ASN A 5 4.324 -6.941 9.351 1.00 14.42 O ATOM 47 CB ASN A 5 6.206 -8.889 8.060 1.00 62.34 C ATOM 48 CG ASN A 5 6.770 -8.753 9.460 1.00 14.32 C ATOM 49 OD1 ASN A 5 8.053 -8.419 9.551 1.00 30.13 O flip ATOM 50 ND2 ASN A 5 6.063 -8.945 10.449 1.00 21.10 N flip ATOM 0 H ASN A 5 7.270 -6.629 8.562 1.00 13.44 H new ATOM 0 HA ASN A 5 5.562 -7.658 6.422 1.00 75.33 H new ATOM 0 HB2 ASN A 5 5.378 -9.598 8.072 1.00 62.34 H new ATOM 0 HB3 ASN A 5 6.970 -9.302 7.402 1.00 62.34 H new ATOM 0 HD21 ASN A 5 5.082 -9.200 10.333 1.00 21.10 H new ATOM 0 HD22 ASN A 5 6.458 -8.849 11.385 1.00 21.10 H new ATOM 56 N ILE A 6 3.346 -7.087 7.330 1.00 3.11 N ATOM 57 CA ILE A 6 2.021 -6.728 7.824 1.00 3.45 C ATOM 58 C ILE A 6 0.985 -7.775 7.430 1.00 64.31 C ATOM 59 O ILE A 6 0.793 -8.062 6.248 1.00 52.42 O ATOM 60 CB ILE A 6 1.575 -5.355 7.292 1.00 31.32 C ATOM 61 CG1 ILE A 6 2.540 -4.264 7.761 1.00 1.24 C ATOM 62 CG2 ILE A 6 0.157 -5.045 7.746 1.00 25.51 C ATOM 63 CD1 ILE A 6 2.612 -4.126 9.266 1.00 63.25 C ATOM 0 H ILE A 6 3.388 -7.268 6.327 1.00 3.11 H new ATOM 0 HA ILE A 6 2.092 -6.681 8.911 1.00 3.45 H new ATOM 0 HB ILE A 6 1.589 -5.383 6.202 1.00 31.32 H new ATOM 0 HG12 ILE A 6 3.536 -4.482 7.376 1.00 1.24 H new ATOM 0 HG13 ILE A 6 2.234 -3.310 7.331 1.00 1.24 H new ATOM 0 HG21 ILE A 6 -0.143 -4.070 7.361 1.00 25.51 H new ATOM 0 HG22 ILE A 6 -0.522 -5.809 7.367 1.00 25.51 H new ATOM 0 HG23 ILE A 6 0.118 -5.033 8.835 1.00 25.51 H new ATOM 0 HD11 ILE A 6 3.315 -3.334 9.526 1.00 63.25 H new ATOM 0 HD12 ILE A 6 1.625 -3.877 9.656 1.00 63.25 H new ATOM 0 HD13 ILE A 6 2.948 -5.067 9.702 1.00 63.25 H new ATOM 74 N THR A 7 0.316 -8.343 8.428 1.00 41.22 N ATOM 75 CA THR A 7 -0.701 -9.359 8.186 1.00 32.45 C ATOM 76 C THR A 7 -2.096 -8.741 8.154 1.00 5.15 C ATOM 77 O THR A 7 -2.399 -7.830 8.924 1.00 25.25 O ATOM 78 CB THR A 7 -0.664 -10.460 9.263 1.00 61.23 C ATOM 79 OG1 THR A 7 -0.463 -9.876 10.554 1.00 34.05 O ATOM 80 CG2 THR A 7 0.444 -11.460 8.973 1.00 31.51 C ATOM 0 H THR A 7 0.460 -8.117 9.412 1.00 41.22 H new ATOM 0 HA THR A 7 -0.480 -9.804 7.216 1.00 32.45 H new ATOM 0 HB THR A 7 -1.619 -10.985 9.249 1.00 61.23 H new ATOM 0 HG1 THR A 7 -0.442 -10.582 11.233 1.00 34.05 H new ATOM 0 HG21 THR A 7 0.452 -12.229 9.746 1.00 31.51 H new ATOM 0 HG22 THR A 7 0.271 -11.924 8.002 1.00 31.51 H new ATOM 0 HG23 THR A 7 1.405 -10.946 8.963 1.00 31.51 H new ATOM 88 N ALA A 8 -2.941 -9.245 7.261 1.00 15.25 N ATOM 89 CA ALA A 8 -4.304 -8.745 7.132 1.00 14.30 C ATOM 90 C ALA A 8 -5.270 -9.871 6.786 1.00 61.31 C ATOM 91 O ALA A 8 -4.853 -10.976 6.439 1.00 2.12 O ATOM 92 CB ALA A 8 -4.366 -7.649 6.078 1.00 71.44 C ATOM 0 H ALA A 8 -2.706 -9.999 6.616 1.00 15.25 H new ATOM 0 HA ALA A 8 -4.605 -8.327 8.093 1.00 14.30 H new ATOM 0 HB1 ALA A 8 -5.390 -7.285 5.992 1.00 71.44 H new ATOM 0 HB2 ALA A 8 -3.711 -6.827 6.369 1.00 71.44 H new ATOM 0 HB3 ALA A 8 -4.041 -8.049 5.117 1.00 71.44 H new ATOM 98 N ARG A 9 -6.565 -9.584 6.881 1.00 24.02 N ATOM 99 CA ARG A 9 -7.592 -10.575 6.579 1.00 12.30 C ATOM 100 C ARG A 9 -8.552 -10.055 5.514 1.00 50.32 C ATOM 101 O ARG A 9 -8.796 -8.852 5.418 1.00 54.45 O ATOM 102 CB ARG A 9 -8.368 -10.937 7.848 1.00 60.04 C ATOM 103 CG ARG A 9 -7.768 -12.105 8.615 1.00 14.22 C ATOM 104 CD ARG A 9 -6.828 -11.625 9.711 1.00 75.14 C ATOM 105 NE ARG A 9 -7.513 -11.476 10.992 1.00 3.55 N ATOM 106 CZ ARG A 9 -7.887 -12.503 11.749 1.00 14.24 C ATOM 107 NH1 ARG A 9 -7.643 -13.745 11.354 1.00 12.12 N ATOM 108 NH2 ARG A 9 -8.504 -12.287 12.903 1.00 32.22 N ATOM 0 H ARG A 9 -6.928 -8.674 7.165 1.00 24.02 H new ATOM 0 HA ARG A 9 -7.099 -11.468 6.194 1.00 12.30 H new ATOM 0 HB2 ARG A 9 -8.407 -10.065 8.501 1.00 60.04 H new ATOM 0 HB3 ARG A 9 -9.396 -11.179 7.579 1.00 60.04 H new ATOM 0 HG2 ARG A 9 -8.567 -12.702 9.054 1.00 14.22 H new ATOM 0 HG3 ARG A 9 -7.226 -12.754 7.927 1.00 14.22 H new ATOM 0 HD2 ARG A 9 -6.006 -12.333 9.819 1.00 75.14 H new ATOM 0 HD3 ARG A 9 -6.390 -10.670 9.421 1.00 75.14 H new ATOM 0 HE ARG A 9 -7.715 -10.533 11.324 1.00 3.55 H new ATOM 0 HH11 ARG A 9 -7.167 -13.914 10.468 1.00 12.12 H new ATOM 0 HH12 ARG A 9 -7.931 -14.531 11.937 1.00 12.12 H new ATOM 0 HH21 ARG A 9 -8.692 -11.333 13.210 1.00 32.22 H new ATOM 0 HH22 ARG A 9 -8.791 -13.075 13.483 1.00 32.22 H new ATOM 119 N ILE A 10 -9.093 -10.970 4.716 1.00 33.02 N ATOM 120 CA ILE A 10 -10.027 -10.604 3.658 1.00 14.13 C ATOM 121 C ILE A 10 -11.313 -10.024 4.236 1.00 53.12 C ATOM 122 O ILE A 10 -12.015 -10.683 5.000 1.00 32.00 O ATOM 123 CB ILE A 10 -10.376 -11.813 2.771 1.00 12.33 C ATOM 124 CG1 ILE A 10 -9.115 -12.360 2.096 1.00 14.03 C ATOM 125 CG2 ILE A 10 -11.414 -11.425 1.730 1.00 50.35 C ATOM 126 CD1 ILE A 10 -9.201 -13.831 1.756 1.00 1.24 C ATOM 0 H ILE A 10 -8.901 -11.970 4.782 1.00 33.02 H new ATOM 0 HA ILE A 10 -9.532 -9.848 3.049 1.00 14.13 H new ATOM 0 HB ILE A 10 -10.797 -12.596 3.401 1.00 12.33 H new ATOM 0 HG12 ILE A 10 -8.927 -11.795 1.183 1.00 14.03 H new ATOM 0 HG13 ILE A 10 -8.261 -12.197 2.753 1.00 14.03 H new ATOM 0 HG21 ILE A 10 -11.650 -12.291 1.111 1.00 50.35 H new ATOM 0 HG22 ILE A 10 -12.319 -11.079 2.230 1.00 50.35 H new ATOM 0 HG23 ILE A 10 -11.019 -10.627 1.102 1.00 50.35 H new ATOM 0 HD11 ILE A 10 -8.273 -14.149 1.281 1.00 1.24 H new ATOM 0 HD12 ILE A 10 -9.358 -14.407 2.668 1.00 1.24 H new ATOM 0 HD13 ILE A 10 -10.034 -13.999 1.074 1.00 1.24 H new ATOM 137 N GLY A 11 -11.616 -8.783 3.862 1.00 0.42 N ATOM 138 CA GLY A 11 -12.820 -8.135 4.352 1.00 70.11 C ATOM 139 C GLY A 11 -12.533 -7.149 5.467 1.00 64.22 C ATOM 140 O GLY A 11 -13.398 -6.358 5.840 1.00 72.31 O ATOM 0 H GLY A 11 -11.050 -8.216 3.230 1.00 0.42 H new ATOM 0 HA2 GLY A 11 -13.310 -7.616 3.529 1.00 70.11 H new ATOM 0 HA3 GLY A 11 -13.517 -8.893 4.711 1.00 70.11 H new ATOM 144 N GLU A 12 -11.317 -7.198 6.000 1.00 5.24 N ATOM 145 CA GLU A 12 -10.922 -6.302 7.080 1.00 14.43 C ATOM 146 C GLU A 12 -10.069 -5.153 6.551 1.00 33.33 C ATOM 147 O GLU A 12 -9.226 -5.327 5.672 1.00 15.14 O ATOM 148 CB GLU A 12 -10.149 -7.072 8.154 1.00 10.21 C ATOM 149 CG GLU A 12 -8.656 -7.159 7.883 1.00 34.04 C ATOM 150 CD GLU A 12 -7.876 -6.042 8.552 1.00 43.51 C ATOM 151 OE1 GLU A 12 -8.354 -5.520 9.580 1.00 34.42 O ATOM 152 OE2 GLU A 12 -6.789 -5.694 8.048 1.00 73.14 O ATOM 0 H GLU A 12 -10.589 -7.848 5.702 1.00 5.24 H new ATOM 0 HA GLU A 12 -11.828 -5.886 7.521 1.00 14.43 H new ATOM 0 HB2 GLU A 12 -10.307 -6.591 9.119 1.00 10.21 H new ATOM 0 HB3 GLU A 12 -10.556 -8.080 8.230 1.00 10.21 H new ATOM 0 HG2 GLU A 12 -8.282 -8.120 8.235 1.00 34.04 H new ATOM 0 HG3 GLU A 12 -8.483 -7.124 6.807 1.00 34.04 H new ATOM 157 N PRO A 13 -10.295 -3.949 7.098 1.00 30.15 N ATOM 158 CA PRO A 13 -9.559 -2.746 6.696 1.00 71.02 C ATOM 159 C PRO A 13 -8.101 -2.783 7.140 1.00 13.41 C ATOM 160 O PRO A 13 -7.780 -3.308 8.207 1.00 0.30 O ATOM 161 CB PRO A 13 -10.307 -1.617 7.410 1.00 63.33 C ATOM 162 CG PRO A 13 -10.944 -2.271 8.588 1.00 62.35 C ATOM 163 CD PRO A 13 -11.286 -3.669 8.151 1.00 31.21 C ATOM 0 HA PRO A 13 -9.523 -2.633 5.612 1.00 71.02 H new ATOM 0 HB2 PRO A 13 -9.626 -0.824 7.718 1.00 63.33 H new ATOM 0 HB3 PRO A 13 -11.053 -1.162 6.758 1.00 63.33 H new ATOM 0 HG2 PRO A 13 -10.266 -2.284 9.441 1.00 62.35 H new ATOM 0 HG3 PRO A 13 -11.838 -1.730 8.899 1.00 62.35 H new ATOM 0 HD2 PRO A 13 -11.208 -4.378 8.975 1.00 31.21 H new ATOM 0 HD3 PRO A 13 -12.306 -3.733 7.771 1.00 31.21 H new ATOM 168 N LEU A 14 -7.221 -2.223 6.316 1.00 45.34 N ATOM 169 CA LEU A 14 -5.796 -2.192 6.625 1.00 2.23 C ATOM 170 C LEU A 14 -5.194 -0.834 6.282 1.00 53.14 C ATOM 171 O LEU A 14 -5.561 -0.217 5.281 1.00 33.24 O ATOM 172 CB LEU A 14 -5.064 -3.296 5.861 1.00 72.34 C ATOM 173 CG LEU A 14 -3.674 -3.664 6.379 1.00 54.42 C ATOM 174 CD1 LEU A 14 -3.776 -4.395 7.709 1.00 62.42 C ATOM 175 CD2 LEU A 14 -2.931 -4.512 5.358 1.00 41.34 C ATOM 0 H LEU A 14 -7.470 -1.785 5.429 1.00 45.34 H new ATOM 0 HA LEU A 14 -5.678 -2.361 7.695 1.00 2.23 H new ATOM 0 HB2 LEU A 14 -5.684 -4.192 5.876 1.00 72.34 H new ATOM 0 HB3 LEU A 14 -4.972 -2.989 4.819 1.00 72.34 H new ATOM 0 HG LEU A 14 -3.111 -2.744 6.536 1.00 54.42 H new ATOM 0 HD11 LEU A 14 -2.777 -4.649 8.062 1.00 62.42 H new ATOM 0 HD12 LEU A 14 -4.267 -3.753 8.440 1.00 62.42 H new ATOM 0 HD13 LEU A 14 -4.358 -5.308 7.579 1.00 62.42 H new ATOM 0 HD21 LEU A 14 -1.943 -4.764 5.744 1.00 41.34 H new ATOM 0 HD22 LEU A 14 -3.491 -5.428 5.169 1.00 41.34 H new ATOM 0 HD23 LEU A 14 -2.825 -3.953 4.428 1.00 41.34 H new ATOM 186 N VAL A 15 -4.267 -0.375 7.115 1.00 60.10 N ATOM 187 CA VAL A 15 -3.611 0.909 6.898 1.00 60.01 C ATOM 188 C VAL A 15 -2.097 0.746 6.817 1.00 31.32 C ATOM 189 O VAL A 15 -1.518 -0.116 7.480 1.00 13.11 O ATOM 190 CB VAL A 15 -3.949 1.910 8.019 1.00 42.10 C ATOM 191 CG1 VAL A 15 -3.342 3.272 7.721 1.00 42.30 C ATOM 192 CG2 VAL A 15 -5.456 2.016 8.201 1.00 72.22 C ATOM 0 H VAL A 15 -3.953 -0.873 7.948 1.00 60.10 H new ATOM 0 HA VAL A 15 -3.983 1.298 5.950 1.00 60.01 H new ATOM 0 HB VAL A 15 -3.518 1.544 8.951 1.00 42.10 H new ATOM 0 HG11 VAL A 15 -3.592 3.965 8.524 1.00 42.30 H new ATOM 0 HG12 VAL A 15 -2.259 3.179 7.646 1.00 42.30 H new ATOM 0 HG13 VAL A 15 -3.740 3.649 6.779 1.00 42.30 H new ATOM 0 HG21 VAL A 15 -5.677 2.727 8.997 1.00 72.22 H new ATOM 0 HG22 VAL A 15 -5.912 2.358 7.272 1.00 72.22 H new ATOM 0 HG23 VAL A 15 -5.860 1.039 8.465 1.00 72.22 H new ATOM 202 N LEU A 16 -1.461 1.579 6.000 1.00 60.13 N ATOM 203 CA LEU A 16 -0.013 1.528 5.832 1.00 14.23 C ATOM 204 C LEU A 16 0.598 2.921 5.947 1.00 32.32 C ATOM 205 O LEU A 16 -0.051 3.922 5.644 1.00 31.54 O ATOM 206 CB LEU A 16 0.342 0.914 4.477 1.00 73.11 C ATOM 207 CG LEU A 16 -0.088 -0.538 4.266 1.00 1.22 C ATOM 208 CD1 LEU A 16 -0.536 -0.758 2.829 1.00 42.52 C ATOM 209 CD2 LEU A 16 1.046 -1.488 4.624 1.00 11.00 C ATOM 0 H LEU A 16 -1.925 2.297 5.444 1.00 60.13 H new ATOM 0 HA LEU A 16 0.398 0.904 6.626 1.00 14.23 H new ATOM 0 HB2 LEU A 16 -0.110 1.523 3.695 1.00 73.11 H new ATOM 0 HB3 LEU A 16 1.422 0.975 4.344 1.00 73.11 H new ATOM 0 HG LEU A 16 -0.931 -0.746 4.924 1.00 1.22 H new ATOM 0 HD11 LEU A 16 -0.838 -1.797 2.697 1.00 42.52 H new ATOM 0 HD12 LEU A 16 -1.379 -0.104 2.606 1.00 42.52 H new ATOM 0 HD13 LEU A 16 0.288 -0.531 2.152 1.00 42.52 H new ATOM 0 HD21 LEU A 16 0.722 -2.517 4.468 1.00 11.00 H new ATOM 0 HD22 LEU A 16 1.909 -1.279 3.991 1.00 11.00 H new ATOM 0 HD23 LEU A 16 1.321 -1.349 5.670 1.00 11.00 H new ATOM 220 N LYS A 17 1.851 2.979 6.384 1.00 44.54 N ATOM 221 CA LYS A 17 2.551 4.247 6.537 1.00 74.12 C ATOM 222 C LYS A 17 3.678 4.372 5.516 1.00 53.34 C ATOM 223 O LYS A 17 4.271 3.374 5.104 1.00 61.53 O ATOM 224 CB LYS A 17 3.117 4.376 7.954 1.00 63.54 C ATOM 225 CG LYS A 17 3.861 5.677 8.196 1.00 22.34 C ATOM 226 CD LYS A 17 3.940 6.006 9.677 1.00 21.03 C ATOM 227 CE LYS A 17 2.703 6.752 10.150 1.00 32.42 C ATOM 228 NZ LYS A 17 2.970 7.548 11.380 1.00 75.23 N ATOM 0 H LYS A 17 2.403 2.160 6.639 1.00 44.54 H new ATOM 0 HA LYS A 17 1.835 5.051 6.365 1.00 74.12 H new ATOM 0 HB2 LYS A 17 2.300 4.296 8.671 1.00 63.54 H new ATOM 0 HB3 LYS A 17 3.791 3.541 8.144 1.00 63.54 H new ATOM 0 HG2 LYS A 17 4.868 5.604 7.784 1.00 22.34 H new ATOM 0 HG3 LYS A 17 3.359 6.488 7.668 1.00 22.34 H new ATOM 0 HD2 LYS A 17 4.052 5.085 10.250 1.00 21.03 H new ATOM 0 HD3 LYS A 17 4.826 6.611 9.869 1.00 21.03 H new ATOM 0 HE2 LYS A 17 2.354 7.414 9.358 1.00 32.42 H new ATOM 0 HE3 LYS A 17 1.902 6.039 10.346 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 2.101 8.041 11.670 1.00 75.23 H new ATOM 0 HZ2 LYS A 17 3.279 6.913 12.144 1.00 75.23 H new ATOM 0 HZ3 LYS A 17 3.716 8.246 11.187 1.00 75.23 H new ATOM 238 N CYS A 18 3.972 5.604 5.112 1.00 23.15 N ATOM 239 CA CYS A 18 5.029 5.859 4.142 1.00 32.51 C ATOM 240 C CYS A 18 6.192 6.610 4.787 1.00 24.12 C ATOM 241 O CYS A 18 6.126 7.821 4.994 1.00 61.41 O ATOM 242 CB CYS A 18 4.482 6.665 2.962 1.00 53.24 C ATOM 243 SG CYS A 18 5.683 6.922 1.616 1.00 64.34 S ATOM 0 H CYS A 18 3.492 6.441 5.442 1.00 23.15 H new ATOM 0 HA CYS A 18 5.395 4.898 3.781 1.00 32.51 H new ATOM 0 HB2 CYS A 18 3.607 6.153 2.561 1.00 53.24 H new ATOM 0 HB3 CYS A 18 4.145 7.636 3.324 1.00 53.24 H new ATOM 247 N LYS A 19 7.256 5.880 5.103 1.00 72.31 N ATOM 248 CA LYS A 19 8.434 6.474 5.723 1.00 50.03 C ATOM 249 C LYS A 19 8.952 7.646 4.896 1.00 23.20 C ATOM 250 O LYS A 19 9.652 7.457 3.902 1.00 43.13 O ATOM 251 CB LYS A 19 9.536 5.423 5.883 1.00 24.34 C ATOM 252 CG LYS A 19 9.045 4.112 6.473 1.00 55.14 C ATOM 253 CD LYS A 19 8.347 4.327 7.804 1.00 72.43 C ATOM 254 CE LYS A 19 9.324 4.766 8.883 1.00 63.22 C ATOM 255 NZ LYS A 19 8.670 4.870 10.217 1.00 43.55 N ATOM 0 H LYS A 19 7.327 4.876 4.940 1.00 72.31 H new ATOM 0 HA LYS A 19 8.148 6.845 6.707 1.00 50.03 H new ATOM 0 HB2 LYS A 19 9.985 5.228 4.909 1.00 24.34 H new ATOM 0 HB3 LYS A 19 10.322 5.827 6.521 1.00 24.34 H new ATOM 0 HG2 LYS A 19 8.359 3.632 5.775 1.00 55.14 H new ATOM 0 HG3 LYS A 19 9.888 3.434 6.608 1.00 55.14 H new ATOM 0 HD2 LYS A 19 7.568 5.080 7.689 1.00 72.43 H new ATOM 0 HD3 LYS A 19 7.855 3.404 8.111 1.00 72.43 H new ATOM 0 HE2 LYS A 19 10.148 4.055 8.937 1.00 63.22 H new ATOM 0 HE3 LYS A 19 9.753 5.731 8.613 1.00 63.22 H new ATOM 0 HZ1 LYS A 19 9.370 5.172 10.924 1.00 43.55 H new ATOM 0 HZ2 LYS A 19 7.900 5.567 10.173 1.00 43.55 H new ATOM 0 HZ3 LYS A 19 8.283 3.943 10.487 1.00 43.55 H new ATOM 265 N GLY A 20 8.602 8.859 5.316 1.00 55.03 N ATOM 266 CA GLY A 20 9.041 10.044 4.602 1.00 14.54 C ATOM 267 C GLY A 20 8.038 11.177 4.688 1.00 12.44 C ATOM 268 O GLY A 20 8.404 12.318 4.971 1.00 73.15 O ATOM 0 H GLY A 20 8.024 9.041 6.136 1.00 55.03 H new ATOM 0 HA2 GLY A 20 9.996 10.377 5.009 1.00 14.54 H new ATOM 0 HA3 GLY A 20 9.211 9.792 3.555 1.00 14.54 H new ATOM 272 N ALA A 21 6.771 10.863 4.444 1.00 70.31 N ATOM 273 CA ALA A 21 5.713 11.864 4.496 1.00 65.44 C ATOM 274 C ALA A 21 5.030 11.871 5.858 1.00 62.32 C ATOM 275 O ALA A 21 4.220 11.001 6.178 1.00 21.40 O ATOM 276 CB ALA A 21 4.694 11.612 3.394 1.00 42.05 C ATOM 0 H ALA A 21 6.452 9.923 4.208 1.00 70.31 H new ATOM 0 HA ALA A 21 6.166 12.843 4.341 1.00 65.44 H new ATOM 0 HB1 ALA A 21 3.909 12.367 3.444 1.00 42.05 H new ATOM 0 HB2 ALA A 21 5.187 11.665 2.423 1.00 42.05 H new ATOM 0 HB3 ALA A 21 4.255 10.623 3.524 1.00 42.05 H new ATOM 282 N PRO A 22 5.363 12.875 6.683 1.00 41.32 N ATOM 283 CA PRO A 22 4.793 13.019 8.026 1.00 33.31 C ATOM 284 C PRO A 22 3.319 13.407 7.991 1.00 10.30 C ATOM 285 O PRO A 22 2.647 13.244 6.972 1.00 35.12 O ATOM 286 CB PRO A 22 5.627 14.144 8.647 1.00 63.25 C ATOM 287 CG PRO A 22 6.121 14.934 7.485 1.00 22.42 C ATOM 288 CD PRO A 22 6.321 13.949 6.367 1.00 2.21 C ATOM 0 HA PRO A 22 4.828 12.084 8.586 1.00 33.31 H new ATOM 0 HB2 PRO A 22 5.026 14.759 9.317 1.00 63.25 H new ATOM 0 HB3 PRO A 22 6.454 13.746 9.235 1.00 63.25 H new ATOM 0 HG2 PRO A 22 5.402 15.703 7.203 1.00 22.42 H new ATOM 0 HG3 PRO A 22 7.054 15.443 7.728 1.00 22.42 H new ATOM 0 HD2 PRO A 22 6.116 14.397 5.395 1.00 2.21 H new ATOM 0 HD3 PRO A 22 7.345 13.578 6.337 1.00 2.21 H new ATOM 293 N LYS A 23 2.820 13.921 9.111 1.00 0.34 N ATOM 294 CA LYS A 23 1.425 14.332 9.209 1.00 73.43 C ATOM 295 C LYS A 23 1.128 15.479 8.248 1.00 12.14 C ATOM 296 O LYS A 23 -0.026 15.872 8.070 1.00 41.31 O ATOM 297 CB LYS A 23 1.097 14.757 10.643 1.00 44.54 C ATOM 298 CG LYS A 23 0.849 13.588 11.580 1.00 12.35 C ATOM 299 CD LYS A 23 2.138 13.115 12.235 1.00 71.43 C ATOM 300 CE LYS A 23 1.894 11.923 13.147 1.00 53.43 C ATOM 301 NZ LYS A 23 1.070 12.290 14.331 1.00 3.20 N ATOM 0 H LYS A 23 3.362 14.063 9.963 1.00 0.34 H new ATOM 0 HA LYS A 23 0.801 13.481 8.936 1.00 73.43 H new ATOM 0 HB2 LYS A 23 1.920 15.357 11.033 1.00 44.54 H new ATOM 0 HB3 LYS A 23 0.214 15.396 10.631 1.00 44.54 H new ATOM 0 HG2 LYS A 23 0.135 13.882 12.350 1.00 12.35 H new ATOM 0 HG3 LYS A 23 0.398 12.765 11.025 1.00 12.35 H new ATOM 0 HD2 LYS A 23 2.860 12.844 11.465 1.00 71.43 H new ATOM 0 HD3 LYS A 23 2.576 13.931 12.810 1.00 71.43 H new ATOM 0 HE2 LYS A 23 1.393 11.134 12.587 1.00 53.43 H new ATOM 0 HE3 LYS A 23 2.850 11.520 13.481 1.00 53.43 H new ATOM 0 HZ1 LYS A 23 1.053 11.496 15.002 1.00 3.20 H new ATOM 0 HZ2 LYS A 23 1.481 13.126 14.794 1.00 3.20 H new ATOM 0 HZ3 LYS A 23 0.100 12.505 14.025 1.00 3.20 H new ATOM 311 N LYS A 24 2.176 16.013 7.629 1.00 20.31 N ATOM 312 CA LYS A 24 2.027 17.113 6.684 1.00 51.52 C ATOM 313 C LYS A 24 0.860 16.862 5.735 1.00 2.00 C ATOM 314 O LYS A 24 0.318 15.758 5.658 1.00 35.33 O ATOM 315 CB LYS A 24 3.319 17.301 5.882 1.00 24.45 C ATOM 316 CG LYS A 24 4.159 18.476 6.350 1.00 33.32 C ATOM 317 CD LYS A 24 4.686 18.259 7.759 1.00 0.12 C ATOM 318 CE LYS A 24 6.185 18.505 7.837 1.00 30.32 C ATOM 319 NZ LYS A 24 6.650 18.649 9.244 1.00 30.12 N ATOM 0 H LYS A 24 3.138 15.701 7.765 1.00 20.31 H new ATOM 0 HA LYS A 24 1.822 18.021 7.251 1.00 51.52 H new ATOM 0 HB2 LYS A 24 3.914 16.390 5.949 1.00 24.45 H new ATOM 0 HB3 LYS A 24 3.067 17.441 4.831 1.00 24.45 H new ATOM 0 HG2 LYS A 24 4.995 18.622 5.666 1.00 33.32 H new ATOM 0 HG3 LYS A 24 3.561 19.387 6.321 1.00 33.32 H new ATOM 0 HD2 LYS A 24 4.170 18.927 8.449 1.00 0.12 H new ATOM 0 HD3 LYS A 24 4.466 17.240 8.078 1.00 0.12 H new ATOM 0 HE2 LYS A 24 6.714 17.679 7.362 1.00 30.32 H new ATOM 0 HE3 LYS A 24 6.435 19.407 7.278 1.00 30.32 H new ATOM 0 HZ1 LYS A 24 7.677 18.815 9.255 1.00 30.12 H new ATOM 0 HZ2 LYS A 24 6.164 19.453 9.690 1.00 30.12 H new ATOM 0 HZ3 LYS A 24 6.435 17.779 9.772 1.00 30.12 H new ATOM 329 N PRO A 25 0.463 17.907 4.994 1.00 41.24 N ATOM 330 CA PRO A 25 -0.643 17.823 4.036 1.00 51.22 C ATOM 331 C PRO A 25 -0.294 16.969 2.821 1.00 24.12 C ATOM 332 O PRO A 25 0.848 16.549 2.634 1.00 35.43 O ATOM 333 CB PRO A 25 -0.863 19.280 3.620 1.00 75.22 C ATOM 334 CG PRO A 25 0.451 19.942 3.847 1.00 0.51 C ATOM 335 CD PRO A 25 1.064 19.251 5.034 1.00 63.01 C ATOM 0 HA PRO A 25 -1.524 17.352 4.471 1.00 51.22 H new ATOM 0 HB2 PRO A 25 -1.167 19.352 2.576 1.00 75.22 H new ATOM 0 HB3 PRO A 25 -1.649 19.747 4.214 1.00 75.22 H new ATOM 0 HG2 PRO A 25 1.091 19.851 2.969 1.00 0.51 H new ATOM 0 HG3 PRO A 25 0.323 21.007 4.039 1.00 0.51 H new ATOM 0 HD2 PRO A 25 2.150 19.208 4.957 1.00 63.01 H new ATOM 0 HD3 PRO A 25 0.831 19.768 5.965 1.00 63.01 H new ATOM 340 N PRO A 26 -1.300 16.706 1.975 1.00 61.24 N ATOM 341 CA PRO A 26 -1.124 15.899 0.762 1.00 34.54 C ATOM 342 C PRO A 26 -0.292 16.618 -0.295 1.00 53.14 C ATOM 343 O PRO A 26 -0.805 17.454 -1.038 1.00 52.31 O ATOM 344 CB PRO A 26 -2.556 15.691 0.264 1.00 40.21 C ATOM 345 CG PRO A 26 -3.320 16.847 0.808 1.00 2.24 C ATOM 346 CD PRO A 26 -2.688 17.173 2.134 1.00 13.44 C ATOM 0 HA PRO A 26 -0.589 14.971 0.963 1.00 34.54 H new ATOM 0 HB2 PRO A 26 -2.596 15.667 -0.825 1.00 40.21 H new ATOM 0 HB3 PRO A 26 -2.965 14.745 0.619 1.00 40.21 H new ATOM 0 HG2 PRO A 26 -3.271 17.700 0.132 1.00 2.24 H new ATOM 0 HG3 PRO A 26 -4.374 16.596 0.929 1.00 2.24 H new ATOM 0 HD2 PRO A 26 -2.731 18.241 2.348 1.00 13.44 H new ATOM 0 HD3 PRO A 26 -3.192 16.663 2.955 1.00 13.44 H new ATOM 351 N GLN A 27 0.993 16.285 -0.356 1.00 51.23 N ATOM 352 CA GLN A 27 1.896 16.899 -1.323 1.00 23.32 C ATOM 353 C GLN A 27 2.178 15.951 -2.484 1.00 41.34 C ATOM 354 O GLN A 27 1.599 14.867 -2.568 1.00 1.04 O ATOM 355 CB GLN A 27 3.207 17.300 -0.646 1.00 51.35 C ATOM 356 CG GLN A 27 3.444 18.801 -0.617 1.00 64.32 C ATOM 357 CD GLN A 27 2.639 19.497 0.462 1.00 4.15 C ATOM 358 OE1 GLN A 27 2.894 19.321 1.654 1.00 62.20 O ATOM 359 NE2 GLN A 27 1.662 20.297 0.050 1.00 45.33 N ATOM 0 H GLN A 27 1.432 15.594 0.252 1.00 51.23 H new ATOM 0 HA GLN A 27 1.412 17.792 -1.717 1.00 23.32 H new ATOM 0 HB2 GLN A 27 3.209 16.921 0.376 1.00 51.35 H new ATOM 0 HB3 GLN A 27 4.036 16.820 -1.166 1.00 51.35 H new ATOM 0 HG2 GLN A 27 4.504 18.995 -0.456 1.00 64.32 H new ATOM 0 HG3 GLN A 27 3.186 19.225 -1.588 1.00 64.32 H new ATOM 0 HE21 GLN A 27 1.485 20.414 -0.948 1.00 45.33 H new ATOM 0 HE22 GLN A 27 1.089 20.794 0.731 1.00 45.33 H new ATOM 366 N ARG A 28 3.071 16.365 -3.377 1.00 4.21 N ATOM 367 CA ARG A 28 3.429 15.552 -4.533 1.00 63.42 C ATOM 368 C ARG A 28 4.154 14.281 -4.102 1.00 12.23 C ATOM 369 O ARG A 28 4.984 14.307 -3.191 1.00 50.34 O ATOM 370 CB ARG A 28 4.309 16.354 -5.493 1.00 72.23 C ATOM 371 CG ARG A 28 5.776 16.378 -5.099 1.00 3.25 C ATOM 372 CD ARG A 28 5.984 17.084 -3.768 1.00 12.51 C ATOM 373 NE ARG A 28 5.499 18.461 -3.798 1.00 11.43 N ATOM 374 CZ ARG A 28 5.792 19.363 -2.868 1.00 24.14 C ATOM 375 NH1 ARG A 28 6.565 19.035 -1.841 1.00 33.31 N ATOM 376 NH2 ARG A 28 5.314 20.597 -2.965 1.00 23.43 N ATOM 0 H ARG A 28 3.560 17.259 -3.322 1.00 4.21 H new ATOM 0 HA ARG A 28 2.509 15.268 -5.044 1.00 63.42 H new ATOM 0 HB2 ARG A 28 4.217 15.933 -6.494 1.00 72.23 H new ATOM 0 HB3 ARG A 28 3.938 17.378 -5.543 1.00 72.23 H new ATOM 0 HG2 ARG A 28 6.153 15.357 -5.034 1.00 3.25 H new ATOM 0 HG3 ARG A 28 6.354 16.882 -5.874 1.00 3.25 H new ATOM 0 HD2 ARG A 28 5.467 16.534 -2.981 1.00 12.51 H new ATOM 0 HD3 ARG A 28 7.045 17.078 -3.516 1.00 12.51 H new ATOM 0 HE ARG A 28 4.903 18.746 -4.575 1.00 11.43 H new ATOM 0 HH11 ARG A 28 6.936 18.088 -1.764 1.00 33.31 H new ATOM 0 HH12 ARG A 28 6.788 19.730 -1.128 1.00 33.31 H new ATOM 0 HH21 ARG A 28 4.721 20.854 -3.754 1.00 23.43 H new ATOM 0 HH22 ARG A 28 5.540 21.289 -2.250 1.00 23.43 H new ATOM 387 N LEU A 29 3.836 13.173 -4.759 1.00 42.44 N ATOM 388 CA LEU A 29 4.457 11.892 -4.444 1.00 4.44 C ATOM 389 C LEU A 29 3.929 10.789 -5.357 1.00 60.12 C ATOM 390 O LEU A 29 2.873 10.935 -5.973 1.00 4.11 O ATOM 391 CB LEU A 29 4.199 11.523 -2.982 1.00 3.32 C ATOM 392 CG LEU A 29 2.814 11.870 -2.437 1.00 23.22 C ATOM 393 CD1 LEU A 29 1.739 11.085 -3.172 1.00 33.41 C ATOM 394 CD2 LEU A 29 2.745 11.597 -0.941 1.00 14.22 C ATOM 0 H LEU A 29 3.151 13.135 -5.514 1.00 42.44 H new ATOM 0 HA LEU A 29 5.531 11.989 -4.605 1.00 4.44 H new ATOM 0 HB2 LEU A 29 4.355 10.450 -2.866 1.00 3.32 H new ATOM 0 HB3 LEU A 29 4.946 12.022 -2.365 1.00 3.32 H new ATOM 0 HG LEU A 29 2.637 12.933 -2.601 1.00 23.22 H new ATOM 0 HD11 LEU A 29 0.760 11.345 -2.770 1.00 33.41 H new ATOM 0 HD12 LEU A 29 1.772 11.329 -4.234 1.00 33.41 H new ATOM 0 HD13 LEU A 29 1.913 10.017 -3.039 1.00 33.41 H new ATOM 0 HD21 LEU A 29 1.752 11.850 -0.570 1.00 14.22 H new ATOM 0 HD22 LEU A 29 2.944 10.542 -0.754 1.00 14.22 H new ATOM 0 HD23 LEU A 29 3.490 12.204 -0.426 1.00 14.22 H new ATOM 405 N GLU A 30 4.669 9.688 -5.439 1.00 13.25 N ATOM 406 CA GLU A 30 4.273 8.562 -6.276 1.00 15.10 C ATOM 407 C GLU A 30 4.100 7.297 -5.441 1.00 62.21 C ATOM 408 O GLU A 30 4.912 7.005 -4.564 1.00 24.11 O ATOM 409 CB GLU A 30 5.313 8.325 -7.373 1.00 21.34 C ATOM 410 CG GLU A 30 5.049 7.077 -8.201 1.00 13.31 C ATOM 411 CD GLU A 30 5.847 7.054 -9.490 1.00 3.11 C ATOM 412 OE1 GLU A 30 5.520 7.840 -10.404 1.00 62.44 O ATOM 413 OE2 GLU A 30 6.797 6.251 -9.586 1.00 4.34 O ATOM 0 H GLU A 30 5.546 9.552 -4.936 1.00 13.25 H new ATOM 0 HA GLU A 30 3.316 8.804 -6.738 1.00 15.10 H new ATOM 0 HB2 GLU A 30 5.336 9.191 -8.034 1.00 21.34 H new ATOM 0 HB3 GLU A 30 6.300 8.246 -6.916 1.00 21.34 H new ATOM 0 HG2 GLU A 30 5.294 6.195 -7.610 1.00 13.31 H new ATOM 0 HG3 GLU A 30 3.986 7.019 -8.435 1.00 13.31 H new ATOM 418 N TRP A 31 3.038 6.552 -5.721 1.00 4.05 N ATOM 419 CA TRP A 31 2.757 5.318 -4.995 1.00 20.43 C ATOM 420 C TRP A 31 2.607 4.143 -5.954 1.00 53.10 C ATOM 421 O TRP A 31 2.079 4.293 -7.056 1.00 70.35 O ATOM 422 CB TRP A 31 1.487 5.472 -4.156 1.00 72.31 C ATOM 423 CG TRP A 31 1.644 6.425 -3.009 1.00 62.24 C ATOM 424 CD1 TRP A 31 2.075 7.720 -3.073 1.00 22.32 C ATOM 425 CD2 TRP A 31 1.373 6.157 -1.629 1.00 50.25 C ATOM 426 NE1 TRP A 31 2.088 8.271 -1.815 1.00 72.01 N ATOM 427 CE2 TRP A 31 1.661 7.333 -0.912 1.00 34.12 C ATOM 428 CE3 TRP A 31 0.914 5.038 -0.931 1.00 0.33 C ATOM 429 CZ2 TRP A 31 1.506 7.421 0.468 1.00 4.33 C ATOM 430 CZ3 TRP A 31 0.760 5.125 0.439 1.00 24.23 C ATOM 431 CH2 TRP A 31 1.054 6.309 1.128 1.00 55.13 C ATOM 0 H TRP A 31 2.357 6.780 -6.445 1.00 4.05 H new ATOM 0 HA TRP A 31 3.599 5.117 -4.333 1.00 20.43 H new ATOM 0 HB2 TRP A 31 0.676 5.817 -4.797 1.00 72.31 H new ATOM 0 HB3 TRP A 31 1.194 4.495 -3.770 1.00 72.31 H new ATOM 0 HD1 TRP A 31 2.363 8.234 -3.978 1.00 22.32 H new ATOM 0 HE1 TRP A 31 2.370 9.225 -1.589 1.00 72.01 H new ATOM 0 HE3 TRP A 31 0.684 4.121 -1.453 1.00 0.33 H new ATOM 0 HZ2 TRP A 31 1.734 8.333 1.000 1.00 4.33 H new ATOM 0 HZ3 TRP A 31 0.407 4.265 0.989 1.00 24.23 H new ATOM 0 HH2 TRP A 31 0.922 6.346 2.199 1.00 55.13 H new ATOM 441 N LYS A 32 3.076 2.975 -5.532 1.00 31.25 N ATOM 442 CA LYS A 32 2.994 1.773 -6.354 1.00 24.22 C ATOM 443 C LYS A 32 2.851 0.529 -5.484 1.00 3.33 C ATOM 444 O LYS A 32 3.539 0.382 -4.473 1.00 2.24 O ATOM 445 CB LYS A 32 4.236 1.650 -7.238 1.00 64.32 C ATOM 446 CG LYS A 32 4.223 2.584 -8.437 1.00 2.24 C ATOM 447 CD LYS A 32 5.578 2.624 -9.126 1.00 23.34 C ATOM 448 CE LYS A 32 5.764 1.436 -10.057 1.00 13.34 C ATOM 449 NZ LYS A 32 6.107 1.865 -11.440 1.00 73.45 N ATOM 0 H LYS A 32 3.518 2.834 -4.624 1.00 31.25 H new ATOM 0 HA LYS A 32 2.111 1.855 -6.988 1.00 24.22 H new ATOM 0 HB2 LYS A 32 5.122 1.856 -6.637 1.00 64.32 H new ATOM 0 HB3 LYS A 32 4.321 0.622 -7.590 1.00 64.32 H new ATOM 0 HG2 LYS A 32 3.462 2.257 -9.146 1.00 2.24 H new ATOM 0 HG3 LYS A 32 3.948 3.588 -8.115 1.00 2.24 H new ATOM 0 HD2 LYS A 32 5.672 3.550 -9.693 1.00 23.34 H new ATOM 0 HD3 LYS A 32 6.369 2.627 -8.376 1.00 23.34 H new ATOM 0 HE2 LYS A 32 6.553 0.791 -9.670 1.00 13.34 H new ATOM 0 HE3 LYS A 32 4.849 0.843 -10.077 1.00 13.34 H new ATOM 0 HZ1 LYS A 32 6.226 1.027 -12.044 1.00 73.45 H new ATOM 0 HZ2 LYS A 32 5.342 2.459 -11.819 1.00 73.45 H new ATOM 0 HZ3 LYS A 32 6.993 2.409 -11.425 1.00 73.45 H new ATOM 459 N LEU A 33 1.955 -0.367 -5.883 1.00 70.41 N ATOM 460 CA LEU A 33 1.722 -1.601 -5.141 1.00 32.34 C ATOM 461 C LEU A 33 1.554 -2.784 -6.090 1.00 11.22 C ATOM 462 O LEU A 33 0.889 -2.677 -7.117 1.00 74.15 O ATOM 463 CB LEU A 33 0.481 -1.462 -4.256 1.00 73.00 C ATOM 464 CG LEU A 33 -0.370 -2.721 -4.091 1.00 63.20 C ATOM 465 CD1 LEU A 33 0.388 -3.779 -3.304 1.00 53.02 C ATOM 466 CD2 LEU A 33 -1.688 -2.388 -3.408 1.00 45.13 C ATOM 0 H LEU A 33 1.377 -0.262 -6.717 1.00 70.41 H new ATOM 0 HA LEU A 33 2.591 -1.785 -4.510 1.00 32.34 H new ATOM 0 HB2 LEU A 33 0.800 -1.131 -3.268 1.00 73.00 H new ATOM 0 HB3 LEU A 33 -0.149 -0.674 -4.669 1.00 73.00 H new ATOM 0 HG LEU A 33 -0.588 -3.121 -5.081 1.00 63.20 H new ATOM 0 HD11 LEU A 33 -0.234 -4.668 -3.197 1.00 53.02 H new ATOM 0 HD12 LEU A 33 1.305 -4.039 -3.833 1.00 53.02 H new ATOM 0 HD13 LEU A 33 0.637 -3.389 -2.317 1.00 53.02 H new ATOM 0 HD21 LEU A 33 -2.281 -3.296 -3.299 1.00 45.13 H new ATOM 0 HD22 LEU A 33 -1.491 -1.963 -2.424 1.00 45.13 H new ATOM 0 HD23 LEU A 33 -2.238 -1.666 -4.011 1.00 45.13 H new ATOM 477 N ASN A 34 2.161 -3.911 -5.733 1.00 42.33 N ATOM 478 CA ASN A 34 2.077 -5.116 -6.553 1.00 11.11 C ATOM 479 C ASN A 34 1.281 -6.205 -5.839 1.00 35.22 C ATOM 480 O ASN A 34 1.578 -6.559 -4.696 1.00 54.04 O ATOM 481 CB ASN A 34 3.479 -5.629 -6.886 1.00 55.51 C ATOM 482 CG ASN A 34 3.528 -6.348 -8.221 1.00 11.20 C ATOM 483 OD1 ASN A 34 4.287 -5.970 -9.115 1.00 5.24 O ATOM 484 ND2 ASN A 34 2.718 -7.389 -8.361 1.00 61.00 N ATOM 0 H ASN A 34 2.716 -4.016 -4.883 1.00 42.33 H new ATOM 0 HA ASN A 34 1.561 -4.861 -7.479 1.00 11.11 H new ATOM 0 HB2 ASN A 34 4.176 -4.791 -6.902 1.00 55.51 H new ATOM 0 HB3 ASN A 34 3.812 -6.306 -6.099 1.00 55.51 H new ATOM 0 HD21 ASN A 34 2.707 -7.912 -9.236 1.00 61.00 H new ATOM 0 HD22 ASN A 34 2.106 -7.666 -7.593 1.00 61.00 H new ATOM 490 N THR A 35 0.270 -6.733 -6.520 1.00 71.20 N ATOM 491 CA THR A 35 -0.568 -7.782 -5.952 1.00 34.33 C ATOM 492 C THR A 35 -0.861 -8.869 -6.980 1.00 2.31 C ATOM 493 O THR A 35 -0.412 -8.794 -8.122 1.00 33.10 O ATOM 494 CB THR A 35 -1.901 -7.213 -5.430 1.00 21.31 C ATOM 495 OG1 THR A 35 -2.755 -6.877 -6.530 1.00 20.43 O ATOM 496 CG2 THR A 35 -1.666 -5.981 -4.571 1.00 12.14 C ATOM 0 H THR A 35 0.011 -6.452 -7.466 1.00 71.20 H new ATOM 0 HA THR A 35 -0.013 -8.214 -5.119 1.00 34.33 H new ATOM 0 HB THR A 35 -2.380 -7.977 -4.818 1.00 21.31 H new ATOM 0 HG1 THR A 35 -3.586 -7.394 -6.469 1.00 20.43 H new ATOM 0 HG21 THR A 35 -2.622 -5.598 -4.215 1.00 12.14 H new ATOM 0 HG22 THR A 35 -1.041 -6.246 -3.718 1.00 12.14 H new ATOM 0 HG23 THR A 35 -1.166 -5.214 -5.163 1.00 12.14 H new ATOM 504 N GLY A 36 -1.618 -9.882 -6.565 1.00 34.03 N ATOM 505 CA GLY A 36 -1.957 -10.970 -7.462 1.00 74.21 C ATOM 506 C GLY A 36 -0.781 -11.889 -7.730 1.00 23.22 C ATOM 507 O GLY A 36 -0.087 -12.305 -6.802 1.00 40.23 O ATOM 0 H GLY A 36 -2.002 -9.967 -5.624 1.00 34.03 H new ATOM 0 HA2 GLY A 36 -2.776 -11.548 -7.034 1.00 74.21 H new ATOM 0 HA3 GLY A 36 -2.316 -10.560 -8.406 1.00 74.21 H new ATOM 511 N ARG A 37 -0.557 -12.207 -9.001 1.00 3.14 N ATOM 512 CA ARG A 37 0.540 -13.085 -9.386 1.00 50.34 C ATOM 513 C ARG A 37 1.596 -12.320 -10.178 1.00 53.42 C ATOM 514 O ARG A 37 2.795 -12.563 -10.034 1.00 44.22 O ATOM 515 CB ARG A 37 0.015 -14.258 -10.216 1.00 75.24 C ATOM 516 CG ARG A 37 0.756 -15.561 -9.965 1.00 45.54 C ATOM 517 CD ARG A 37 0.558 -16.050 -8.539 1.00 34.44 C ATOM 518 NE ARG A 37 0.718 -17.495 -8.427 1.00 3.52 N ATOM 519 CZ ARG A 37 -0.232 -18.367 -8.747 1.00 74.43 C ATOM 520 NH1 ARG A 37 -1.403 -17.940 -9.198 1.00 33.21 N ATOM 521 NH2 ARG A 37 -0.011 -19.669 -8.619 1.00 62.01 N ATOM 0 H ARG A 37 -1.121 -11.869 -9.781 1.00 3.14 H new ATOM 0 HA ARG A 37 1.001 -13.470 -8.476 1.00 50.34 H new ATOM 0 HB2 ARG A 37 -1.043 -14.403 -9.996 1.00 75.24 H new ATOM 0 HB3 ARG A 37 0.089 -14.006 -11.274 1.00 75.24 H new ATOM 0 HG2 ARG A 37 0.405 -16.321 -10.663 1.00 45.54 H new ATOM 0 HG3 ARG A 37 1.819 -15.419 -10.157 1.00 45.54 H new ATOM 0 HD2 ARG A 37 1.274 -15.555 -7.884 1.00 34.44 H new ATOM 0 HD3 ARG A 37 -0.437 -15.768 -8.195 1.00 34.44 H new ATOM 0 HE ARG A 37 1.608 -17.856 -8.084 1.00 3.52 H new ATOM 0 HH11 ARG A 37 -1.576 -16.940 -9.300 1.00 33.21 H new ATOM 0 HH12 ARG A 37 -2.131 -18.611 -9.443 1.00 33.21 H new ATOM 0 HH21 ARG A 37 0.889 -20.002 -8.274 1.00 62.01 H new ATOM 0 HH22 ARG A 37 -0.742 -20.337 -8.865 1.00 62.01 H new ATOM 532 N THR A 38 1.144 -11.393 -11.016 1.00 13.12 N ATOM 533 CA THR A 38 2.049 -10.592 -11.832 1.00 60.14 C ATOM 534 C THR A 38 1.277 -9.596 -12.691 1.00 13.11 C ATOM 535 O THR A 38 1.790 -8.529 -13.029 1.00 64.30 O ATOM 536 CB THR A 38 2.914 -11.479 -12.747 1.00 41.34 C ATOM 537 OG1 THR A 38 4.074 -10.759 -13.174 1.00 4.32 O ATOM 538 CG2 THR A 38 2.121 -11.939 -13.962 1.00 32.15 C ATOM 0 H THR A 38 0.156 -11.178 -11.148 1.00 13.12 H new ATOM 0 HA THR A 38 2.699 -10.049 -11.145 1.00 60.14 H new ATOM 0 HB THR A 38 3.221 -12.357 -12.179 1.00 41.34 H new ATOM 0 HG1 THR A 38 4.619 -11.331 -13.754 1.00 4.32 H new ATOM 0 HG21 THR A 38 2.753 -12.564 -14.593 1.00 32.15 H new ATOM 0 HG22 THR A 38 1.254 -12.513 -13.635 1.00 32.15 H new ATOM 0 HG23 THR A 38 1.788 -11.070 -14.529 1.00 32.15 H new ATOM 546 N GLU A 39 0.045 -9.950 -13.039 1.00 41.23 N ATOM 547 CA GLU A 39 -0.795 -9.085 -13.859 1.00 42.33 C ATOM 548 C GLU A 39 -1.818 -8.347 -13.000 1.00 14.12 C ATOM 549 O GLU A 39 -2.938 -8.087 -13.436 1.00 40.14 O ATOM 550 CB GLU A 39 -1.512 -9.904 -14.934 1.00 74.33 C ATOM 551 CG GLU A 39 -0.572 -10.519 -15.958 1.00 12.11 C ATOM 552 CD GLU A 39 -1.138 -11.778 -16.586 1.00 63.32 C ATOM 553 OE1 GLU A 39 -1.301 -12.781 -15.860 1.00 73.51 O ATOM 554 OE2 GLU A 39 -1.416 -11.760 -17.803 1.00 62.34 O ATOM 0 H GLU A 39 -0.394 -10.829 -12.766 1.00 41.23 H new ATOM 0 HA GLU A 39 -0.152 -8.349 -14.341 1.00 42.33 H new ATOM 0 HB2 GLU A 39 -2.082 -10.699 -14.453 1.00 74.33 H new ATOM 0 HB3 GLU A 39 -2.228 -9.264 -15.449 1.00 74.33 H new ATOM 0 HG2 GLU A 39 -0.365 -9.789 -16.740 1.00 12.11 H new ATOM 0 HG3 GLU A 39 0.379 -10.752 -15.479 1.00 12.11 H new ATOM 559 N ALA A 40 -1.422 -8.015 -11.775 1.00 30.42 N ATOM 560 CA ALA A 40 -2.304 -7.305 -10.855 1.00 3.35 C ATOM 561 C ALA A 40 -1.654 -6.019 -10.354 1.00 53.34 C ATOM 562 O ALA A 40 -2.286 -5.223 -9.661 1.00 54.30 O ATOM 563 CB ALA A 40 -2.675 -8.203 -9.683 1.00 34.34 C ATOM 0 H ALA A 40 -0.498 -8.226 -11.397 1.00 30.42 H new ATOM 0 HA ALA A 40 -3.212 -7.036 -11.395 1.00 3.35 H new ATOM 0 HB1 ALA A 40 -3.333 -7.661 -9.004 1.00 34.34 H new ATOM 0 HB2 ALA A 40 -3.187 -9.091 -10.053 1.00 34.34 H new ATOM 0 HB3 ALA A 40 -1.771 -8.500 -9.152 1.00 34.34 H new ATOM 569 N TRP A 41 -0.389 -5.825 -10.708 1.00 12.31 N ATOM 570 CA TRP A 41 0.347 -4.637 -10.293 1.00 32.13 C ATOM 571 C TRP A 41 -0.336 -3.369 -10.799 1.00 5.22 C ATOM 572 O TRP A 41 -0.659 -3.256 -11.981 1.00 51.23 O ATOM 573 CB TRP A 41 1.786 -4.695 -10.809 1.00 23.23 C ATOM 574 CG TRP A 41 2.457 -3.355 -10.850 1.00 4.54 C ATOM 575 CD1 TRP A 41 3.141 -2.750 -9.834 1.00 60.22 C ATOM 576 CD2 TRP A 41 2.508 -2.456 -11.962 1.00 51.43 C ATOM 577 NE1 TRP A 41 3.613 -1.528 -10.248 1.00 54.31 N ATOM 578 CE2 TRP A 41 3.240 -1.324 -11.551 1.00 25.22 C ATOM 579 CE3 TRP A 41 2.009 -2.498 -13.267 1.00 11.12 C ATOM 580 CZ2 TRP A 41 3.481 -0.246 -12.397 1.00 40.13 C ATOM 581 CZ3 TRP A 41 2.249 -1.427 -14.106 1.00 2.32 C ATOM 582 CH2 TRP A 41 2.981 -0.314 -13.669 1.00 32.33 C ATOM 0 H TRP A 41 0.148 -6.475 -11.281 1.00 12.31 H new ATOM 0 HA TRP A 41 0.360 -4.612 -9.203 1.00 32.13 H new ATOM 0 HB2 TRP A 41 2.366 -5.364 -10.173 1.00 23.23 H new ATOM 0 HB3 TRP A 41 1.788 -5.125 -11.810 1.00 23.23 H new ATOM 0 HD1 TRP A 41 3.289 -3.170 -8.850 1.00 60.22 H new ATOM 0 HE1 TRP A 41 4.154 -0.878 -9.678 1.00 54.31 H new ATOM 0 HE3 TRP A 41 1.446 -3.352 -13.613 1.00 11.12 H new ATOM 0 HZ2 TRP A 41 4.042 0.614 -12.062 1.00 40.13 H new ATOM 0 HZ3 TRP A 41 1.866 -1.447 -15.116 1.00 2.32 H new ATOM 0 HH2 TRP A 41 3.154 0.506 -14.350 1.00 32.33 H new ATOM 592 N LYS A 42 -0.553 -2.420 -9.896 1.00 32.34 N ATOM 593 CA LYS A 42 -1.197 -1.160 -10.251 1.00 73.20 C ATOM 594 C LYS A 42 -0.481 0.019 -9.599 1.00 24.33 C ATOM 595 O LYS A 42 0.142 -0.125 -8.548 1.00 55.21 O ATOM 596 CB LYS A 42 -2.667 -1.176 -9.825 1.00 14.11 C ATOM 597 CG LYS A 42 -2.864 -1.327 -8.328 1.00 41.31 C ATOM 598 CD LYS A 42 -3.245 -2.750 -7.955 1.00 54.01 C ATOM 599 CE LYS A 42 -3.487 -2.890 -6.461 1.00 32.23 C ATOM 600 NZ LYS A 42 -4.935 -2.796 -6.122 1.00 55.13 N ATOM 0 H LYS A 42 -0.293 -2.498 -8.913 1.00 32.34 H new ATOM 0 HA LYS A 42 -1.140 -1.044 -11.333 1.00 73.20 H new ATOM 0 HB2 LYS A 42 -3.142 -0.252 -10.154 1.00 14.11 H new ATOM 0 HB3 LYS A 42 -3.175 -1.995 -10.334 1.00 14.11 H new ATOM 0 HG2 LYS A 42 -1.947 -1.047 -7.810 1.00 41.31 H new ATOM 0 HG3 LYS A 42 -3.642 -0.641 -7.992 1.00 41.31 H new ATOM 0 HD2 LYS A 42 -4.144 -3.041 -8.499 1.00 54.01 H new ATOM 0 HD3 LYS A 42 -2.452 -3.432 -8.261 1.00 54.01 H new ATOM 0 HE2 LYS A 42 -3.095 -3.847 -6.118 1.00 32.23 H new ATOM 0 HE3 LYS A 42 -2.938 -2.112 -5.930 1.00 32.23 H new ATOM 0 HZ1 LYS A 42 -5.058 -2.896 -5.094 1.00 55.13 H new ATOM 0 HZ2 LYS A 42 -5.304 -1.872 -6.426 1.00 55.13 H new ATOM 0 HZ3 LYS A 42 -5.455 -3.554 -6.608 1.00 55.13 H new ATOM 610 N VAL A 43 -0.578 1.186 -10.230 1.00 14.42 N ATOM 611 CA VAL A 43 0.060 2.391 -9.709 1.00 2.02 C ATOM 612 C VAL A 43 -0.870 3.135 -8.757 1.00 42.20 C ATOM 613 O VAL A 43 -1.987 3.505 -9.124 1.00 3.44 O ATOM 614 CB VAL A 43 0.478 3.340 -10.847 1.00 13.24 C ATOM 615 CG1 VAL A 43 1.126 4.596 -10.284 1.00 53.30 C ATOM 616 CG2 VAL A 43 1.418 2.631 -11.812 1.00 15.43 C ATOM 0 H VAL A 43 -1.091 1.323 -11.101 1.00 14.42 H new ATOM 0 HA VAL A 43 0.950 2.071 -9.168 1.00 2.02 H new ATOM 0 HB VAL A 43 -0.415 3.637 -11.397 1.00 13.24 H new ATOM 0 HG11 VAL A 43 1.415 5.255 -11.103 1.00 53.30 H new ATOM 0 HG12 VAL A 43 0.417 5.112 -9.636 1.00 53.30 H new ATOM 0 HG13 VAL A 43 2.011 4.323 -9.709 1.00 53.30 H new ATOM 0 HG21 VAL A 43 1.704 3.316 -12.610 1.00 15.43 H new ATOM 0 HG22 VAL A 43 2.310 2.304 -11.277 1.00 15.43 H new ATOM 0 HG23 VAL A 43 0.914 1.765 -12.240 1.00 15.43 H new ATOM 626 N LEU A 44 -0.402 3.353 -7.533 1.00 23.14 N ATOM 627 CA LEU A 44 -1.191 4.055 -6.526 1.00 51.20 C ATOM 628 C LEU A 44 -0.978 5.562 -6.622 1.00 41.43 C ATOM 629 O LEU A 44 0.120 6.025 -6.928 1.00 71.32 O ATOM 630 CB LEU A 44 -0.821 3.562 -5.125 1.00 71.22 C ATOM 631 CG LEU A 44 -1.514 2.282 -4.659 1.00 24.23 C ATOM 632 CD1 LEU A 44 -0.753 1.654 -3.501 1.00 70.03 C ATOM 633 CD2 LEU A 44 -2.954 2.570 -4.258 1.00 52.13 C ATOM 0 H LEU A 44 0.519 3.054 -7.214 1.00 23.14 H new ATOM 0 HA LEU A 44 -2.244 3.844 -6.711 1.00 51.20 H new ATOM 0 HB2 LEU A 44 0.256 3.401 -5.091 1.00 71.22 H new ATOM 0 HB3 LEU A 44 -1.047 4.354 -4.411 1.00 71.22 H new ATOM 0 HG LEU A 44 -1.523 1.575 -5.488 1.00 24.23 H new ATOM 0 HD11 LEU A 44 -1.261 0.744 -3.183 1.00 70.03 H new ATOM 0 HD12 LEU A 44 0.260 1.411 -3.821 1.00 70.03 H new ATOM 0 HD13 LEU A 44 -0.712 2.357 -2.669 1.00 70.03 H new ATOM 0 HD21 LEU A 44 -3.432 1.647 -3.929 1.00 52.13 H new ATOM 0 HD22 LEU A 44 -2.967 3.295 -3.444 1.00 52.13 H new ATOM 0 HD23 LEU A 44 -3.496 2.974 -5.113 1.00 52.13 H new ATOM 644 N SER A 45 -2.036 6.322 -6.354 1.00 3.50 N ATOM 645 CA SER A 45 -1.965 7.777 -6.411 1.00 13.35 C ATOM 646 C SER A 45 -2.497 8.397 -5.122 1.00 72.23 C ATOM 647 O SER A 45 -3.180 7.751 -4.328 1.00 13.03 O ATOM 648 CB SER A 45 -2.759 8.301 -7.608 1.00 65.24 C ATOM 649 OG SER A 45 -1.896 8.701 -8.659 1.00 1.34 O ATOM 0 H SER A 45 -2.952 5.954 -6.096 1.00 3.50 H new ATOM 0 HA SER A 45 -0.919 8.061 -6.526 1.00 13.35 H new ATOM 0 HB2 SER A 45 -3.437 7.526 -7.965 1.00 65.24 H new ATOM 0 HB3 SER A 45 -3.375 9.145 -7.298 1.00 65.24 H new ATOM 0 HG SER A 45 -2.429 9.030 -9.413 1.00 1.34 H new ATOM 654 N PRO A 46 -2.176 9.682 -4.910 1.00 25.03 N ATOM 655 CA PRO A 46 -2.611 10.419 -3.720 1.00 12.14 C ATOM 656 C PRO A 46 -4.112 10.693 -3.722 1.00 13.52 C ATOM 657 O PRO A 46 -4.643 11.296 -2.791 1.00 70.42 O ATOM 658 CB PRO A 46 -1.829 11.733 -3.810 1.00 64.32 C ATOM 659 CG PRO A 46 -1.540 11.902 -5.262 1.00 44.14 C ATOM 660 CD PRO A 46 -1.366 10.514 -5.814 1.00 71.04 C ATOM 0 HA PRO A 46 -2.426 9.858 -2.804 1.00 12.14 H new ATOM 0 HB2 PRO A 46 -2.412 12.568 -3.422 1.00 64.32 H new ATOM 0 HB3 PRO A 46 -0.910 11.688 -3.226 1.00 64.32 H new ATOM 0 HG2 PRO A 46 -2.356 12.422 -5.764 1.00 44.14 H new ATOM 0 HG3 PRO A 46 -0.640 12.498 -5.414 1.00 44.14 H new ATOM 0 HD2 PRO A 46 -1.715 10.445 -6.844 1.00 71.04 H new ATOM 0 HD3 PRO A 46 -0.320 10.209 -5.811 1.00 71.04 H new ATOM 665 N GLN A 47 -4.787 10.243 -4.775 1.00 60.43 N ATOM 666 CA GLN A 47 -6.227 10.440 -4.898 1.00 4.13 C ATOM 667 C GLN A 47 -6.932 9.122 -5.201 1.00 50.45 C ATOM 668 O GLN A 47 -7.144 8.772 -6.362 1.00 14.53 O ATOM 669 CB GLN A 47 -6.533 11.460 -5.996 1.00 31.12 C ATOM 670 CG GLN A 47 -8.003 11.827 -6.094 1.00 64.21 C ATOM 671 CD GLN A 47 -8.604 12.196 -4.751 1.00 54.50 C ATOM 672 OE1 GLN A 47 -9.670 11.707 -4.378 1.00 73.35 O ATOM 673 NE2 GLN A 47 -7.918 13.065 -4.015 1.00 61.11 N ATOM 0 H GLN A 47 -4.361 9.741 -5.554 1.00 60.43 H new ATOM 0 HA GLN A 47 -6.599 10.820 -3.946 1.00 4.13 H new ATOM 0 HB2 GLN A 47 -5.953 12.364 -5.812 1.00 31.12 H new ATOM 0 HB3 GLN A 47 -6.203 11.059 -6.954 1.00 31.12 H new ATOM 0 HG2 GLN A 47 -8.119 12.664 -6.782 1.00 64.21 H new ATOM 0 HG3 GLN A 47 -8.556 10.988 -6.517 1.00 64.21 H new ATOM 0 HE21 GLN A 47 -7.038 13.446 -4.363 1.00 61.11 H new ATOM 0 HE22 GLN A 47 -8.272 13.351 -3.102 1.00 61.11 H new ATOM 680 N GLY A 48 -7.293 8.394 -4.150 1.00 22.10 N ATOM 681 CA GLY A 48 -7.971 7.121 -4.325 1.00 72.42 C ATOM 682 C GLY A 48 -9.480 7.260 -4.297 1.00 25.44 C ATOM 683 O GLY A 48 -10.191 6.314 -3.959 1.00 4.34 O ATOM 0 H GLY A 48 -7.129 8.662 -3.180 1.00 22.10 H new ATOM 0 HA2 GLY A 48 -7.667 6.678 -5.274 1.00 72.42 H new ATOM 0 HA3 GLY A 48 -7.658 6.435 -3.538 1.00 72.42 H new ATOM 687 N GLY A 49 -9.971 8.444 -4.650 1.00 64.31 N ATOM 688 CA GLY A 49 -11.403 8.682 -4.655 1.00 64.25 C ATOM 689 C GLY A 49 -12.167 7.604 -5.401 1.00 23.43 C ATOM 690 O GLY A 49 -11.576 6.789 -6.105 1.00 50.52 O ATOM 0 H GLY A 49 -9.403 9.243 -4.933 1.00 64.31 H new ATOM 0 HA2 GLY A 49 -11.763 8.734 -3.628 1.00 64.25 H new ATOM 0 HA3 GLY A 49 -11.606 9.650 -5.113 1.00 64.25 H new ATOM 694 N GLY A 50 -13.487 7.601 -5.242 1.00 61.44 N ATOM 695 CA GLY A 50 -14.312 6.611 -5.911 1.00 4.24 C ATOM 696 C GLY A 50 -14.613 5.416 -5.027 1.00 3.22 C ATOM 697 O GLY A 50 -14.653 5.519 -3.800 1.00 72.35 O ATOM 0 H GLY A 50 -14.000 8.266 -4.663 1.00 61.44 H new ATOM 0 HA2 GLY A 50 -15.248 7.073 -6.223 1.00 4.24 H new ATOM 0 HA3 GLY A 50 -13.807 6.272 -6.815 1.00 4.24 H new ATOM 701 N PRO A 51 -14.835 4.252 -5.655 1.00 3.53 N ATOM 702 CA PRO A 51 -15.140 3.010 -4.935 1.00 73.42 C ATOM 703 C PRO A 51 -13.939 2.478 -4.162 1.00 73.04 C ATOM 704 O PRO A 51 -13.061 1.829 -4.731 1.00 60.15 O ATOM 705 CB PRO A 51 -15.529 2.041 -6.053 1.00 60.44 C ATOM 706 CG PRO A 51 -14.836 2.562 -7.266 1.00 63.35 C ATOM 707 CD PRO A 51 -14.804 4.057 -7.114 1.00 53.21 C ATOM 0 HA PRO A 51 -15.918 3.153 -4.185 1.00 73.42 H new ATOM 0 HB2 PRO A 51 -15.212 1.024 -5.823 1.00 60.44 H new ATOM 0 HB3 PRO A 51 -16.609 2.014 -6.195 1.00 60.44 H new ATOM 0 HG2 PRO A 51 -13.827 2.156 -7.344 1.00 63.35 H new ATOM 0 HG3 PRO A 51 -15.367 2.273 -8.173 1.00 63.35 H new ATOM 0 HD2 PRO A 51 -13.906 4.487 -7.558 1.00 53.21 H new ATOM 0 HD3 PRO A 51 -15.658 4.529 -7.601 1.00 53.21 H new ATOM 712 N TRP A 52 -13.906 2.757 -2.865 1.00 20.10 N ATOM 713 CA TRP A 52 -12.812 2.305 -2.013 1.00 2.23 C ATOM 714 C TRP A 52 -12.965 0.827 -1.669 1.00 33.21 C ATOM 715 O TRP A 52 -12.022 0.189 -1.199 1.00 74.30 O ATOM 716 CB TRP A 52 -12.759 3.137 -0.731 1.00 62.34 C ATOM 717 CG TRP A 52 -13.034 4.594 -0.955 1.00 50.44 C ATOM 718 CD1 TRP A 52 -12.467 5.397 -1.903 1.00 4.10 C ATOM 719 CD2 TRP A 52 -13.941 5.418 -0.217 1.00 10.51 C ATOM 720 NE1 TRP A 52 -12.968 6.672 -1.797 1.00 43.45 N ATOM 721 CE2 TRP A 52 -13.874 6.711 -0.772 1.00 21.51 C ATOM 722 CE3 TRP A 52 -14.804 5.190 0.858 1.00 33.35 C ATOM 723 CZ2 TRP A 52 -14.637 7.769 -0.287 1.00 22.42 C ATOM 724 CZ3 TRP A 52 -15.561 6.242 1.339 1.00 75.43 C ATOM 725 CH2 TRP A 52 -15.474 7.517 0.766 1.00 30.32 C ATOM 0 H TRP A 52 -14.624 3.294 -2.379 1.00 20.10 H new ATOM 0 HA TRP A 52 -11.879 2.437 -2.561 1.00 2.23 H new ATOM 0 HB2 TRP A 52 -13.486 2.743 -0.020 1.00 62.34 H new ATOM 0 HB3 TRP A 52 -11.775 3.026 -0.275 1.00 62.34 H new ATOM 0 HD1 TRP A 52 -11.734 5.077 -2.628 1.00 4.10 H new ATOM 0 HE1 TRP A 52 -12.707 7.462 -2.387 1.00 43.45 H new ATOM 0 HE3 TRP A 52 -14.878 4.210 1.305 1.00 33.35 H new ATOM 0 HZ2 TRP A 52 -14.571 8.754 -0.726 1.00 22.42 H new ATOM 0 HZ3 TRP A 52 -16.231 6.078 2.170 1.00 75.43 H new ATOM 0 HH2 TRP A 52 -16.080 8.318 1.163 1.00 30.32 H new ATOM 735 N ASP A 53 -14.155 0.289 -1.908 1.00 2.00 N ATOM 736 CA ASP A 53 -14.430 -1.115 -1.624 1.00 53.22 C ATOM 737 C ASP A 53 -13.550 -2.025 -2.476 1.00 75.44 C ATOM 738 O ASP A 53 -13.068 -3.055 -2.007 1.00 54.32 O ATOM 739 CB ASP A 53 -15.906 -1.429 -1.876 1.00 55.33 C ATOM 740 CG ASP A 53 -16.331 -1.107 -3.295 1.00 73.40 C ATOM 741 OD1 ASP A 53 -16.508 0.091 -3.605 1.00 52.51 O ATOM 742 OD2 ASP A 53 -16.488 -2.050 -4.096 1.00 51.34 O ATOM 0 H ASP A 53 -14.945 0.803 -2.298 1.00 2.00 H new ATOM 0 HA ASP A 53 -14.202 -1.299 -0.574 1.00 53.22 H new ATOM 0 HB2 ASP A 53 -16.090 -2.485 -1.675 1.00 55.33 H new ATOM 0 HB3 ASP A 53 -16.520 -0.860 -1.178 1.00 55.33 H new ATOM 746 N SER A 54 -13.347 -1.635 -3.732 1.00 73.02 N ATOM 747 CA SER A 54 -12.529 -2.417 -4.651 1.00 72.23 C ATOM 748 C SER A 54 -11.076 -1.953 -4.617 1.00 24.23 C ATOM 749 O SER A 54 -10.154 -2.767 -4.608 1.00 12.14 O ATOM 750 CB SER A 54 -13.078 -2.306 -6.074 1.00 60.34 C ATOM 751 OG SER A 54 -14.473 -2.053 -6.066 1.00 42.23 O ATOM 0 H SER A 54 -13.738 -0.783 -4.135 1.00 73.02 H new ATOM 0 HA SER A 54 -12.566 -3.459 -4.334 1.00 72.23 H new ATOM 0 HB2 SER A 54 -12.563 -1.505 -6.604 1.00 60.34 H new ATOM 0 HB3 SER A 54 -12.876 -3.229 -6.618 1.00 60.34 H new ATOM 0 HG SER A 54 -14.798 -1.985 -6.988 1.00 42.23 H new ATOM 756 N VAL A 55 -10.882 -0.639 -4.596 1.00 22.44 N ATOM 757 CA VAL A 55 -9.543 -0.064 -4.560 1.00 72.20 C ATOM 758 C VAL A 55 -9.181 0.398 -3.153 1.00 35.02 C ATOM 759 O VAL A 55 -9.669 -0.147 -2.164 1.00 34.12 O ATOM 760 CB VAL A 55 -9.417 1.126 -5.529 1.00 32.04 C ATOM 761 CG1 VAL A 55 -9.852 0.723 -6.929 1.00 13.44 C ATOM 762 CG2 VAL A 55 -10.233 2.309 -5.028 1.00 54.34 C ATOM 0 H VAL A 55 -11.636 0.048 -4.603 1.00 22.44 H new ATOM 0 HA VAL A 55 -8.853 -0.849 -4.870 1.00 72.20 H new ATOM 0 HB VAL A 55 -8.370 1.428 -5.573 1.00 32.04 H new ATOM 0 HG11 VAL A 55 -9.756 1.577 -7.600 1.00 13.44 H new ATOM 0 HG12 VAL A 55 -9.221 -0.091 -7.286 1.00 13.44 H new ATOM 0 HG13 VAL A 55 -10.891 0.394 -6.907 1.00 13.44 H new ATOM 0 HG21 VAL A 55 -10.133 3.141 -5.725 1.00 54.34 H new ATOM 0 HG22 VAL A 55 -11.282 2.022 -4.954 1.00 54.34 H new ATOM 0 HG23 VAL A 55 -9.870 2.612 -4.046 1.00 54.34 H new ATOM 772 N ALA A 56 -8.321 1.409 -3.071 1.00 70.21 N ATOM 773 CA ALA A 56 -7.895 1.948 -1.786 1.00 44.32 C ATOM 774 C ALA A 56 -7.732 3.462 -1.852 1.00 32.22 C ATOM 775 O ALA A 56 -7.669 4.043 -2.936 1.00 23.44 O ATOM 776 CB ALA A 56 -6.594 1.295 -1.346 1.00 2.54 C ATOM 0 H ALA A 56 -7.906 1.871 -3.880 1.00 70.21 H new ATOM 0 HA ALA A 56 -8.669 1.724 -1.052 1.00 44.32 H new ATOM 0 HB1 ALA A 56 -6.287 1.707 -0.385 1.00 2.54 H new ATOM 0 HB2 ALA A 56 -6.741 0.219 -1.250 1.00 2.54 H new ATOM 0 HB3 ALA A 56 -5.820 1.490 -2.088 1.00 2.54 H new ATOM 782 N ARG A 57 -7.667 4.097 -0.687 1.00 10.31 N ATOM 783 CA ARG A 57 -7.515 5.545 -0.612 1.00 41.22 C ATOM 784 C ARG A 57 -6.175 5.920 0.016 1.00 4.43 C ATOM 785 O ARG A 57 -5.578 5.128 0.746 1.00 52.52 O ATOM 786 CB ARG A 57 -8.660 6.161 0.195 1.00 43.54 C ATOM 787 CG ARG A 57 -9.972 5.405 0.062 1.00 52.32 C ATOM 788 CD ARG A 57 -10.174 4.433 1.213 1.00 42.15 C ATOM 789 NE ARG A 57 -11.452 4.641 1.886 1.00 45.21 N ATOM 790 CZ ARG A 57 -11.720 5.699 2.644 1.00 43.01 C ATOM 791 NH1 ARG A 57 -10.803 6.640 2.820 1.00 30.03 N ATOM 792 NH2 ARG A 57 -12.906 5.818 3.224 1.00 25.11 N ATOM 0 H ARG A 57 -7.717 3.631 0.219 1.00 10.31 H new ATOM 0 HA ARG A 57 -7.544 5.940 -1.628 1.00 41.22 H new ATOM 0 HB2 ARG A 57 -8.375 6.196 1.247 1.00 43.54 H new ATOM 0 HB3 ARG A 57 -8.809 7.191 -0.129 1.00 43.54 H new ATOM 0 HG2 ARG A 57 -10.800 6.113 0.033 1.00 52.32 H new ATOM 0 HG3 ARG A 57 -9.985 4.860 -0.882 1.00 52.32 H new ATOM 0 HD2 ARG A 57 -10.124 3.411 0.837 1.00 42.15 H new ATOM 0 HD3 ARG A 57 -9.363 4.548 1.932 1.00 42.15 H new ATOM 0 HE ARG A 57 -12.179 3.936 1.768 1.00 45.21 H new ATOM 0 HH11 ARG A 57 -9.890 6.553 2.373 1.00 30.03 H new ATOM 0 HH12 ARG A 57 -11.010 7.452 3.402 1.00 30.03 H new ATOM 0 HH21 ARG A 57 -13.615 5.097 3.089 1.00 25.11 H new ATOM 0 HH22 ARG A 57 -13.110 6.631 3.806 1.00 25.11 H new ATOM 803 N VAL A 58 -5.710 7.131 -0.270 1.00 72.14 N ATOM 804 CA VAL A 58 -4.443 7.610 0.268 1.00 13.12 C ATOM 805 C VAL A 58 -4.658 8.785 1.217 1.00 71.40 C ATOM 806 O VAL A 58 -5.301 9.774 0.861 1.00 0.44 O ATOM 807 CB VAL A 58 -3.483 8.042 -0.856 1.00 11.12 C ATOM 808 CG1 VAL A 58 -2.299 8.807 -0.284 1.00 11.04 C ATOM 809 CG2 VAL A 58 -3.012 6.831 -1.647 1.00 70.22 C ATOM 0 H VAL A 58 -6.192 7.799 -0.872 1.00 72.14 H new ATOM 0 HA VAL A 58 -3.998 6.780 0.816 1.00 13.12 H new ATOM 0 HB VAL A 58 -4.020 8.706 -1.534 1.00 11.12 H new ATOM 0 HG11 VAL A 58 -1.632 9.104 -1.094 1.00 11.04 H new ATOM 0 HG12 VAL A 58 -2.657 9.696 0.236 1.00 11.04 H new ATOM 0 HG13 VAL A 58 -1.759 8.170 0.416 1.00 11.04 H new ATOM 0 HG21 VAL A 58 -2.334 7.154 -2.437 1.00 70.22 H new ATOM 0 HG22 VAL A 58 -2.492 6.142 -0.982 1.00 70.22 H new ATOM 0 HG23 VAL A 58 -3.872 6.328 -2.089 1.00 70.22 H new ATOM 819 N LEU A 59 -4.114 8.670 2.423 1.00 72.20 N ATOM 820 CA LEU A 59 -4.246 9.723 3.425 1.00 73.23 C ATOM 821 C LEU A 59 -3.438 10.956 3.027 1.00 24.12 C ATOM 822 O LEU A 59 -2.492 10.883 2.244 1.00 73.55 O ATOM 823 CB LEU A 59 -3.784 9.216 4.791 1.00 3.32 C ATOM 824 CG LEU A 59 -4.667 8.155 5.448 1.00 65.32 C ATOM 825 CD1 LEU A 59 -4.388 6.784 4.852 1.00 35.11 C ATOM 826 CD2 LEU A 59 -4.452 8.138 6.953 1.00 0.24 C ATOM 0 H LEU A 59 -3.578 7.859 2.731 1.00 72.20 H new ATOM 0 HA LEU A 59 -5.298 10.003 3.486 1.00 73.23 H new ATOM 0 HB2 LEU A 59 -2.779 8.808 4.684 1.00 3.32 H new ATOM 0 HB3 LEU A 59 -3.711 10.068 5.467 1.00 3.32 H new ATOM 0 HG LEU A 59 -5.709 8.408 5.254 1.00 65.32 H new ATOM 0 HD11 LEU A 59 -5.026 6.042 5.332 1.00 35.11 H new ATOM 0 HD12 LEU A 59 -4.596 6.803 3.782 1.00 35.11 H new ATOM 0 HD13 LEU A 59 -3.342 6.523 5.014 1.00 35.11 H new ATOM 0 HD21 LEU A 59 -5.089 7.377 7.403 1.00 0.24 H new ATOM 0 HD22 LEU A 59 -3.408 7.911 7.169 1.00 0.24 H new ATOM 0 HD23 LEU A 59 -4.705 9.114 7.368 1.00 0.24 H new ATOM 837 N PRO A 60 -3.818 12.116 3.583 1.00 14.24 N ATOM 838 CA PRO A 60 -3.141 13.387 3.304 1.00 45.53 C ATOM 839 C PRO A 60 -1.742 13.442 3.908 1.00 73.22 C ATOM 840 O PRO A 60 -0.890 14.204 3.452 1.00 13.13 O ATOM 841 CB PRO A 60 -4.051 14.426 3.964 1.00 55.11 C ATOM 842 CG PRO A 60 -4.759 13.679 5.041 1.00 23.42 C ATOM 843 CD PRO A 60 -4.937 12.278 4.526 1.00 5.21 C ATOM 0 HA PRO A 60 -2.996 13.546 2.236 1.00 45.53 H new ATOM 0 HB2 PRO A 60 -3.474 15.256 4.371 1.00 55.11 H new ATOM 0 HB3 PRO A 60 -4.755 14.849 3.247 1.00 55.11 H new ATOM 0 HG2 PRO A 60 -4.180 13.684 5.965 1.00 23.42 H new ATOM 0 HG3 PRO A 60 -5.722 14.137 5.265 1.00 23.42 H new ATOM 0 HD2 PRO A 60 -4.893 11.545 5.332 1.00 5.21 H new ATOM 0 HD3 PRO A 60 -5.900 12.151 4.032 1.00 5.21 H new ATOM 848 N ASN A 61 -1.511 12.629 4.934 1.00 63.30 N ATOM 849 CA ASN A 61 -0.216 12.587 5.600 1.00 54.34 C ATOM 850 C ASN A 61 0.751 11.674 4.851 1.00 63.23 C ATOM 851 O ASN A 61 1.876 11.446 5.294 1.00 22.54 O ATOM 852 CB ASN A 61 -0.376 12.106 7.042 1.00 44.21 C ATOM 853 CG ASN A 61 -1.359 10.958 7.164 1.00 60.34 C ATOM 854 OD1 ASN A 61 -2.572 11.152 7.066 1.00 13.15 O ATOM 855 ND2 ASN A 61 -0.841 9.755 7.377 1.00 3.20 N ATOM 0 H ASN A 61 -2.205 11.990 5.322 1.00 63.30 H new ATOM 0 HA ASN A 61 0.195 13.596 5.605 1.00 54.34 H new ATOM 0 HB2 ASN A 61 0.594 11.792 7.427 1.00 44.21 H new ATOM 0 HB3 ASN A 61 -0.712 12.936 7.664 1.00 44.21 H new ATOM 0 HD21 ASN A 61 -1.454 8.944 7.466 1.00 3.20 H new ATOM 0 HD22 ASN A 61 0.170 9.641 7.451 1.00 3.20 H new ATOM 861 N GLY A 62 0.304 11.153 3.712 1.00 30.41 N ATOM 862 CA GLY A 62 1.140 10.272 2.920 1.00 60.33 C ATOM 863 C GLY A 62 1.009 8.820 3.335 1.00 60.52 C ATOM 864 O GLY A 62 1.965 8.051 3.241 1.00 44.24 O ATOM 0 H GLY A 62 -0.623 11.326 3.324 1.00 30.41 H new ATOM 0 HA2 GLY A 62 0.873 10.371 1.868 1.00 60.33 H new ATOM 0 HA3 GLY A 62 2.181 10.581 3.015 1.00 60.33 H new ATOM 868 N SER A 63 -0.180 8.443 3.796 1.00 21.42 N ATOM 869 CA SER A 63 -0.432 7.076 4.232 1.00 45.32 C ATOM 870 C SER A 63 -1.453 6.396 3.324 1.00 4.43 C ATOM 871 O SER A 63 -1.967 7.002 2.384 1.00 34.44 O ATOM 872 CB SER A 63 -0.932 7.063 5.678 1.00 44.31 C ATOM 873 OG SER A 63 0.151 7.067 6.592 1.00 1.24 O ATOM 0 H SER A 63 -0.983 9.066 3.877 1.00 21.42 H new ATOM 0 HA SER A 63 0.506 6.524 4.174 1.00 45.32 H new ATOM 0 HB2 SER A 63 -1.565 7.933 5.855 1.00 44.31 H new ATOM 0 HB3 SER A 63 -1.549 6.180 5.845 1.00 44.31 H new ATOM 0 HG SER A 63 -0.195 7.060 7.509 1.00 1.24 H new ATOM 878 N LEU A 64 -1.740 5.130 3.611 1.00 1.52 N ATOM 879 CA LEU A 64 -2.698 4.365 2.822 1.00 60.34 C ATOM 880 C LEU A 64 -3.723 3.680 3.721 1.00 14.14 C ATOM 881 O LEU A 64 -3.363 2.980 4.667 1.00 33.23 O ATOM 882 CB LEU A 64 -1.972 3.322 1.971 1.00 5.02 C ATOM 883 CG LEU A 64 -2.833 2.178 1.432 1.00 12.40 C ATOM 884 CD1 LEU A 64 -3.960 2.721 0.571 1.00 73.25 C ATOM 885 CD2 LEU A 64 -1.978 1.196 0.642 1.00 22.30 C ATOM 0 H LEU A 64 -1.322 4.613 4.384 1.00 1.52 H new ATOM 0 HA LEU A 64 -3.224 5.058 2.166 1.00 60.34 H new ATOM 0 HB2 LEU A 64 -1.509 3.831 1.126 1.00 5.02 H new ATOM 0 HB3 LEU A 64 -1.166 2.894 2.566 1.00 5.02 H new ATOM 0 HG LEU A 64 -3.273 1.648 2.277 1.00 12.40 H new ATOM 0 HD11 LEU A 64 -4.562 1.894 0.196 1.00 73.25 H new ATOM 0 HD12 LEU A 64 -4.586 3.385 1.167 1.00 73.25 H new ATOM 0 HD13 LEU A 64 -3.541 3.275 -0.269 1.00 73.25 H new ATOM 0 HD21 LEU A 64 -2.606 0.388 0.265 1.00 22.30 H new ATOM 0 HD22 LEU A 64 -1.510 1.713 -0.196 1.00 22.30 H new ATOM 0 HD23 LEU A 64 -1.205 0.783 1.290 1.00 22.30 H new ATOM 896 N PHE A 65 -5.000 3.888 3.419 1.00 31.24 N ATOM 897 CA PHE A 65 -6.077 3.291 4.200 1.00 43.21 C ATOM 898 C PHE A 65 -7.035 2.514 3.300 1.00 42.11 C ATOM 899 O PHE A 65 -7.499 3.025 2.279 1.00 4.31 O ATOM 900 CB PHE A 65 -6.842 4.372 4.965 1.00 33.00 C ATOM 901 CG PHE A 65 -8.230 3.958 5.362 1.00 43.24 C ATOM 902 CD1 PHE A 65 -8.442 2.787 6.072 1.00 33.12 C ATOM 903 CD2 PHE A 65 -9.324 4.739 5.023 1.00 12.52 C ATOM 904 CE1 PHE A 65 -9.718 2.403 6.439 1.00 63.33 C ATOM 905 CE2 PHE A 65 -10.603 4.360 5.388 1.00 13.31 C ATOM 906 CZ PHE A 65 -10.800 3.189 6.096 1.00 74.31 C ATOM 0 H PHE A 65 -5.314 4.465 2.639 1.00 31.24 H new ATOM 0 HA PHE A 65 -5.633 2.597 4.914 1.00 43.21 H new ATOM 0 HB2 PHE A 65 -6.281 4.638 5.861 1.00 33.00 H new ATOM 0 HB3 PHE A 65 -6.902 5.269 4.348 1.00 33.00 H new ATOM 0 HD1 PHE A 65 -7.600 2.167 6.342 1.00 33.12 H new ATOM 0 HD2 PHE A 65 -9.176 5.653 4.468 1.00 12.52 H new ATOM 0 HE1 PHE A 65 -9.869 1.489 6.994 1.00 63.33 H new ATOM 0 HE2 PHE A 65 -11.447 4.978 5.120 1.00 13.31 H new ATOM 0 HZ PHE A 65 -11.798 2.890 6.380 1.00 74.31 H new ATOM 915 N LEU A 66 -7.327 1.276 3.686 1.00 55.42 N ATOM 916 CA LEU A 66 -8.228 0.428 2.915 1.00 60.10 C ATOM 917 C LEU A 66 -9.424 -0.003 3.758 1.00 42.03 C ATOM 918 O LEU A 66 -9.282 -0.485 4.882 1.00 2.11 O ATOM 919 CB LEU A 66 -7.485 -0.804 2.398 1.00 14.40 C ATOM 920 CG LEU A 66 -6.231 -0.531 1.566 1.00 42.23 C ATOM 921 CD1 LEU A 66 -4.999 -0.488 2.455 1.00 52.22 C ATOM 922 CD2 LEU A 66 -6.071 -1.586 0.480 1.00 3.13 C ATOM 0 H LEU A 66 -6.953 0.838 4.528 1.00 55.42 H new ATOM 0 HA LEU A 66 -8.593 1.006 2.066 1.00 60.10 H new ATOM 0 HB2 LEU A 66 -7.203 -1.419 3.253 1.00 14.40 H new ATOM 0 HB3 LEU A 66 -8.176 -1.394 1.795 1.00 14.40 H new ATOM 0 HG LEU A 66 -6.342 0.442 1.087 1.00 42.23 H new ATOM 0 HD11 LEU A 66 -4.117 -0.293 1.845 1.00 52.22 H new ATOM 0 HD12 LEU A 66 -5.112 0.305 3.195 1.00 52.22 H new ATOM 0 HD13 LEU A 66 -4.884 -1.445 2.964 1.00 52.22 H new ATOM 0 HD21 LEU A 66 -5.174 -1.376 -0.102 1.00 3.13 H new ATOM 0 HD22 LEU A 66 -5.983 -2.571 0.939 1.00 3.13 H new ATOM 0 HD23 LEU A 66 -6.941 -1.568 -0.176 1.00 3.13 H new ATOM 933 N PRO A 67 -10.633 0.172 3.203 1.00 21.14 N ATOM 934 CA PRO A 67 -11.877 -0.196 3.886 1.00 72.51 C ATOM 935 C PRO A 67 -12.045 -1.706 4.013 1.00 33.41 C ATOM 936 O PRO A 67 -12.620 -2.197 4.985 1.00 13.02 O ATOM 937 CB PRO A 67 -12.965 0.389 2.980 1.00 22.02 C ATOM 938 CG PRO A 67 -12.338 0.459 1.632 1.00 51.30 C ATOM 939 CD PRO A 67 -10.878 0.740 1.867 1.00 64.23 C ATOM 0 HA PRO A 67 -11.907 0.179 4.909 1.00 72.51 H new ATOM 0 HB2 PRO A 67 -13.854 -0.242 2.971 1.00 22.02 H new ATOM 0 HB3 PRO A 67 -13.278 1.375 3.323 1.00 22.02 H new ATOM 0 HG2 PRO A 67 -12.473 -0.477 1.090 1.00 51.30 H new ATOM 0 HG3 PRO A 67 -12.794 1.245 1.030 1.00 51.30 H new ATOM 0 HD2 PRO A 67 -10.251 0.270 1.109 1.00 64.23 H new ATOM 0 HD3 PRO A 67 -10.665 1.809 1.839 1.00 64.23 H new ATOM 944 N ALA A 68 -11.540 -2.437 3.025 1.00 23.02 N ATOM 945 CA ALA A 68 -11.632 -3.891 3.029 1.00 43.33 C ATOM 946 C ALA A 68 -10.605 -4.510 2.086 1.00 41.30 C ATOM 947 O ALA A 68 -10.779 -4.499 0.868 1.00 62.10 O ATOM 948 CB ALA A 68 -13.037 -4.333 2.643 1.00 62.01 C ATOM 0 H ALA A 68 -11.063 -2.046 2.212 1.00 23.02 H new ATOM 0 HA ALA A 68 -11.417 -4.240 4.039 1.00 43.33 H new ATOM 0 HB1 ALA A 68 -13.091 -5.422 2.650 1.00 62.01 H new ATOM 0 HB2 ALA A 68 -13.755 -3.929 3.357 1.00 62.01 H new ATOM 0 HB3 ALA A 68 -13.273 -3.965 1.645 1.00 62.01 H new ATOM 954 N VAL A 69 -9.531 -5.047 2.659 1.00 71.41 N ATOM 955 CA VAL A 69 -8.475 -5.669 1.869 1.00 73.12 C ATOM 956 C VAL A 69 -8.929 -7.012 1.306 1.00 51.13 C ATOM 957 O VAL A 69 -9.305 -7.914 2.052 1.00 13.43 O ATOM 958 CB VAL A 69 -7.199 -5.880 2.705 1.00 21.00 C ATOM 959 CG1 VAL A 69 -6.602 -4.543 3.114 1.00 53.23 C ATOM 960 CG2 VAL A 69 -7.499 -6.734 3.927 1.00 4.13 C ATOM 0 H VAL A 69 -9.370 -5.063 3.666 1.00 71.41 H new ATOM 0 HA VAL A 69 -8.253 -4.990 1.046 1.00 73.12 H new ATOM 0 HB VAL A 69 -6.467 -6.406 2.092 1.00 21.00 H new ATOM 0 HG11 VAL A 69 -5.701 -4.712 3.704 1.00 53.23 H new ATOM 0 HG12 VAL A 69 -6.349 -3.969 2.222 1.00 53.23 H new ATOM 0 HG13 VAL A 69 -7.327 -3.988 3.709 1.00 53.23 H new ATOM 0 HG21 VAL A 69 -6.586 -6.873 4.507 1.00 4.13 H new ATOM 0 HG22 VAL A 69 -8.248 -6.237 4.543 1.00 4.13 H new ATOM 0 HG23 VAL A 69 -7.878 -7.705 3.608 1.00 4.13 H new ATOM 970 N GLY A 70 -8.888 -7.136 -0.018 1.00 22.44 N ATOM 971 CA GLY A 70 -9.297 -8.372 -0.659 1.00 22.52 C ATOM 972 C GLY A 70 -8.134 -9.314 -0.897 1.00 62.23 C ATOM 973 O GLY A 70 -6.983 -8.883 -0.973 1.00 20.10 O ATOM 0 H GLY A 70 -8.579 -6.403 -0.657 1.00 22.44 H new ATOM 0 HA2 GLY A 70 -10.043 -8.870 -0.039 1.00 22.52 H new ATOM 0 HA3 GLY A 70 -9.776 -8.143 -1.611 1.00 22.52 H new ATOM 977 N ILE A 71 -8.434 -10.603 -1.013 1.00 5.33 N ATOM 978 CA ILE A 71 -7.403 -11.608 -1.243 1.00 61.21 C ATOM 979 C ILE A 71 -6.570 -11.269 -2.474 1.00 24.12 C ATOM 980 O ILE A 71 -5.389 -11.605 -2.546 1.00 11.55 O ATOM 981 CB ILE A 71 -8.014 -13.011 -1.421 1.00 73.35 C ATOM 982 CG1 ILE A 71 -7.012 -14.086 -0.995 1.00 11.22 C ATOM 983 CG2 ILE A 71 -8.443 -13.222 -2.865 1.00 22.24 C ATOM 984 CD1 ILE A 71 -6.972 -15.279 -1.925 1.00 34.44 C ATOM 0 H ILE A 71 -9.381 -10.976 -0.952 1.00 5.33 H new ATOM 0 HA ILE A 71 -6.761 -11.609 -0.362 1.00 61.21 H new ATOM 0 HB ILE A 71 -8.895 -13.090 -0.785 1.00 73.35 H new ATOM 0 HG12 ILE A 71 -6.017 -13.643 -0.942 1.00 11.22 H new ATOM 0 HG13 ILE A 71 -7.263 -14.427 0.009 1.00 11.22 H new ATOM 0 HG21 ILE A 71 -8.873 -14.218 -2.975 1.00 22.24 H new ATOM 0 HG22 ILE A 71 -9.187 -12.473 -3.137 1.00 22.24 H new ATOM 0 HG23 ILE A 71 -7.577 -13.126 -3.520 1.00 22.24 H new ATOM 0 HD11 ILE A 71 -6.240 -16.000 -1.561 1.00 34.44 H new ATOM 0 HD12 ILE A 71 -7.956 -15.747 -1.959 1.00 34.44 H new ATOM 0 HD13 ILE A 71 -6.691 -14.951 -2.926 1.00 34.44 H new ATOM 995 N GLN A 72 -7.193 -10.600 -3.438 1.00 50.53 N ATOM 996 CA GLN A 72 -6.508 -10.215 -4.666 1.00 14.24 C ATOM 997 C GLN A 72 -5.548 -9.056 -4.412 1.00 1.32 C ATOM 998 O GLN A 72 -4.586 -8.862 -5.155 1.00 33.00 O ATOM 999 CB GLN A 72 -7.523 -9.826 -5.741 1.00 31.32 C ATOM 1000 CG GLN A 72 -8.443 -10.964 -6.151 1.00 15.35 C ATOM 1001 CD GLN A 72 -9.186 -10.679 -7.442 1.00 5.12 C ATOM 1002 OE1 GLN A 72 -10.416 -10.650 -7.468 1.00 62.30 O ATOM 1003 NE2 GLN A 72 -8.441 -10.466 -8.519 1.00 52.42 N ATOM 0 H GLN A 72 -8.171 -10.313 -3.393 1.00 50.53 H new ATOM 0 HA GLN A 72 -5.931 -11.072 -5.015 1.00 14.24 H new ATOM 0 HB2 GLN A 72 -8.127 -8.996 -5.375 1.00 31.32 H new ATOM 0 HB3 GLN A 72 -6.988 -9.468 -6.621 1.00 31.32 H new ATOM 0 HG2 GLN A 72 -7.857 -11.876 -6.267 1.00 15.35 H new ATOM 0 HG3 GLN A 72 -9.164 -11.148 -5.355 1.00 15.35 H new ATOM 0 HE21 GLN A 72 -7.424 -10.500 -8.450 1.00 52.42 H new ATOM 0 HE22 GLN A 72 -8.885 -10.268 -9.416 1.00 52.42 H new ATOM 1010 N ASP A 73 -5.817 -8.292 -3.361 1.00 20.12 N ATOM 1011 CA ASP A 73 -4.976 -7.153 -3.008 1.00 33.10 C ATOM 1012 C ASP A 73 -3.686 -7.615 -2.341 1.00 50.35 C ATOM 1013 O ASP A 73 -2.802 -6.808 -2.052 1.00 43.41 O ATOM 1014 CB ASP A 73 -5.733 -6.201 -2.078 1.00 63.05 C ATOM 1015 CG ASP A 73 -6.294 -4.999 -2.812 1.00 44.05 C ATOM 1016 OD1 ASP A 73 -7.105 -5.197 -3.741 1.00 62.22 O ATOM 1017 OD2 ASP A 73 -5.923 -3.861 -2.458 1.00 52.42 O ATOM 0 H ASP A 73 -6.611 -8.440 -2.738 1.00 20.12 H new ATOM 0 HA ASP A 73 -4.720 -6.625 -3.926 1.00 33.10 H new ATOM 0 HB2 ASP A 73 -6.548 -6.741 -1.595 1.00 63.05 H new ATOM 0 HB3 ASP A 73 -5.064 -5.861 -1.288 1.00 63.05 H new ATOM 1021 N GLU A 74 -3.584 -8.919 -2.100 1.00 74.10 N ATOM 1022 CA GLU A 74 -2.401 -9.488 -1.465 1.00 53.32 C ATOM 1023 C GLU A 74 -1.161 -9.267 -2.328 1.00 71.43 C ATOM 1024 O GLU A 74 -1.219 -9.364 -3.554 1.00 24.42 O ATOM 1025 CB GLU A 74 -2.599 -10.983 -1.212 1.00 70.33 C ATOM 1026 CG GLU A 74 -2.528 -11.829 -2.473 1.00 21.53 C ATOM 1027 CD GLU A 74 -1.199 -12.545 -2.620 1.00 51.43 C ATOM 1028 OE1 GLU A 74 -0.780 -13.224 -1.660 1.00 50.02 O ATOM 1029 OE2 GLU A 74 -0.579 -12.426 -3.698 1.00 30.55 O ATOM 0 H GLU A 74 -4.306 -9.600 -2.335 1.00 74.10 H new ATOM 0 HA GLU A 74 -2.254 -8.982 -0.511 1.00 53.32 H new ATOM 0 HB2 GLU A 74 -1.840 -11.328 -0.510 1.00 70.33 H new ATOM 0 HB3 GLU A 74 -3.567 -11.137 -0.735 1.00 70.33 H new ATOM 0 HG2 GLU A 74 -3.333 -12.564 -2.459 1.00 21.53 H new ATOM 0 HG3 GLU A 74 -2.692 -11.193 -3.343 1.00 21.53 H new ATOM 1034 N GLY A 75 -0.040 -8.969 -1.679 1.00 63.40 N ATOM 1035 CA GLY A 75 1.197 -8.740 -2.402 1.00 13.44 C ATOM 1036 C GLY A 75 2.166 -7.868 -1.628 1.00 35.53 C ATOM 1037 O GLY A 75 2.319 -8.021 -0.416 1.00 12.53 O ATOM 0 H GLY A 75 0.034 -8.882 -0.665 1.00 63.40 H new ATOM 0 HA2 GLY A 75 1.669 -9.698 -2.621 1.00 13.44 H new ATOM 0 HA3 GLY A 75 0.973 -8.269 -3.359 1.00 13.44 H new ATOM 1041 N ILE A 76 2.824 -6.949 -2.331 1.00 3.33 N ATOM 1042 CA ILE A 76 3.782 -6.049 -1.702 1.00 1.43 C ATOM 1043 C ILE A 76 3.494 -4.598 -2.066 1.00 41.40 C ATOM 1044 O ILE A 76 3.376 -4.253 -3.242 1.00 42.03 O ATOM 1045 CB ILE A 76 5.227 -6.393 -2.111 1.00 52.31 C ATOM 1046 CG1 ILE A 76 5.652 -7.726 -1.491 1.00 45.21 C ATOM 1047 CG2 ILE A 76 6.175 -5.280 -1.689 1.00 42.53 C ATOM 1048 CD1 ILE A 76 5.094 -8.933 -2.213 1.00 13.42 C ATOM 0 H ILE A 76 2.710 -6.810 -3.335 1.00 3.33 H new ATOM 0 HA ILE A 76 3.677 -6.177 -0.625 1.00 1.43 H new ATOM 0 HB ILE A 76 5.270 -6.489 -3.196 1.00 52.31 H new ATOM 0 HG12 ILE A 76 6.740 -7.786 -1.488 1.00 45.21 H new ATOM 0 HG13 ILE A 76 5.328 -7.753 -0.451 1.00 45.21 H new ATOM 0 HG21 ILE A 76 7.192 -5.537 -1.985 1.00 42.53 H new ATOM 0 HG22 ILE A 76 5.881 -4.349 -2.173 1.00 42.53 H new ATOM 0 HG23 ILE A 76 6.132 -5.156 -0.607 1.00 42.53 H new ATOM 0 HD11 ILE A 76 5.436 -9.843 -1.719 1.00 13.42 H new ATOM 0 HD12 ILE A 76 4.005 -8.897 -2.194 1.00 13.42 H new ATOM 0 HD13 ILE A 76 5.439 -8.930 -3.247 1.00 13.42 H new ATOM 1059 N PHE A 77 3.384 -3.749 -1.049 1.00 61.03 N ATOM 1060 CA PHE A 77 3.111 -2.332 -1.262 1.00 4.11 C ATOM 1061 C PHE A 77 4.372 -1.498 -1.052 1.00 61.35 C ATOM 1062 O PHE A 77 5.070 -1.650 -0.051 1.00 33.41 O ATOM 1063 CB PHE A 77 2.008 -1.856 -0.315 1.00 63.44 C ATOM 1064 CG PHE A 77 2.131 -0.410 0.070 1.00 40.14 C ATOM 1065 CD1 PHE A 77 2.106 0.582 -0.899 1.00 24.11 C ATOM 1066 CD2 PHE A 77 2.270 -0.040 1.397 1.00 5.42 C ATOM 1067 CE1 PHE A 77 2.219 1.914 -0.546 1.00 64.44 C ATOM 1068 CE2 PHE A 77 2.385 1.288 1.755 1.00 72.42 C ATOM 1069 CZ PHE A 77 2.357 2.269 0.781 1.00 44.54 C ATOM 0 H PHE A 77 3.480 -4.018 -0.070 1.00 61.03 H new ATOM 0 HA PHE A 77 2.778 -2.202 -2.292 1.00 4.11 H new ATOM 0 HB2 PHE A 77 1.039 -2.016 -0.789 1.00 63.44 H new ATOM 0 HB3 PHE A 77 2.027 -2.467 0.588 1.00 63.44 H new ATOM 0 HD1 PHE A 77 1.997 0.311 -1.939 1.00 24.11 H new ATOM 0 HD2 PHE A 77 2.289 -0.801 2.163 1.00 5.42 H new ATOM 0 HE1 PHE A 77 2.199 2.678 -1.309 1.00 64.44 H new ATOM 0 HE2 PHE A 77 2.497 1.560 2.794 1.00 72.42 H new ATOM 0 HZ PHE A 77 2.443 3.310 1.057 1.00 44.54 H new ATOM 1078 N ARG A 78 4.655 -0.618 -2.007 1.00 11.01 N ATOM 1079 CA ARG A 78 5.831 0.240 -1.928 1.00 11.41 C ATOM 1080 C ARG A 78 5.449 1.707 -2.106 1.00 11.40 C ATOM 1081 O ARG A 78 4.636 2.047 -2.966 1.00 24.41 O ATOM 1082 CB ARG A 78 6.855 -0.163 -2.992 1.00 65.13 C ATOM 1083 CG ARG A 78 8.073 -0.876 -2.428 1.00 24.44 C ATOM 1084 CD ARG A 78 9.303 0.016 -2.456 1.00 51.03 C ATOM 1085 NE ARG A 78 9.910 0.156 -1.135 1.00 3.33 N ATOM 1086 CZ ARG A 78 11.181 0.489 -0.941 1.00 54.43 C ATOM 1087 NH1 ARG A 78 11.976 0.717 -1.977 1.00 72.04 N ATOM 1088 NH2 ARG A 78 11.661 0.594 0.292 1.00 13.22 N ATOM 0 H ARG A 78 4.087 -0.481 -2.843 1.00 11.01 H new ATOM 0 HA ARG A 78 6.274 0.115 -0.940 1.00 11.41 H new ATOM 0 HB2 ARG A 78 6.371 -0.812 -3.722 1.00 65.13 H new ATOM 0 HB3 ARG A 78 7.182 0.729 -3.526 1.00 65.13 H new ATOM 0 HG2 ARG A 78 7.871 -1.187 -1.403 1.00 24.44 H new ATOM 0 HG3 ARG A 78 8.265 -1.781 -3.004 1.00 24.44 H new ATOM 0 HD2 ARG A 78 10.035 -0.399 -3.149 1.00 51.03 H new ATOM 0 HD3 ARG A 78 9.028 1.001 -2.834 1.00 51.03 H new ATOM 0 HE ARG A 78 9.325 -0.011 -0.316 1.00 3.33 H new ATOM 0 HH12 ARG A 78 12.952 0.973 -1.825 1.00 72.04 H new ATOM 0 HH21 ARG A 78 11.053 0.419 1.092 1.00 13.22 H new ATOM 0 HH22 ARG A 78 12.637 0.850 0.439 1.00 13.22 H new ATOM 1099 N CYS A 79 6.039 2.570 -1.287 1.00 13.11 N ATOM 1100 CA CYS A 79 5.761 4.000 -1.352 1.00 71.33 C ATOM 1101 C CYS A 79 7.031 4.789 -1.653 1.00 10.22 C ATOM 1102 O CYS A 79 8.130 4.386 -1.270 1.00 21.52 O ATOM 1103 CB CYS A 79 5.148 4.481 -0.035 1.00 42.01 C ATOM 1104 SG CYS A 79 4.747 6.259 -0.007 1.00 42.11 S ATOM 0 H CYS A 79 6.714 2.304 -0.570 1.00 13.11 H new ATOM 0 HA CYS A 79 5.050 4.170 -2.160 1.00 71.33 H new ATOM 0 HB2 CYS A 79 4.239 3.911 0.160 1.00 42.01 H new ATOM 0 HB3 CYS A 79 5.841 4.263 0.777 1.00 42.01 H new ATOM 1108 N GLN A 80 6.873 5.915 -2.341 1.00 64.53 N ATOM 1109 CA GLN A 80 8.007 6.760 -2.695 1.00 13.14 C ATOM 1110 C GLN A 80 7.646 8.236 -2.568 1.00 63.42 C ATOM 1111 O GLN A 80 6.653 8.693 -3.134 1.00 34.14 O ATOM 1112 CB GLN A 80 8.473 6.457 -4.120 1.00 30.32 C ATOM 1113 CG GLN A 80 9.984 6.386 -4.264 1.00 52.24 C ATOM 1114 CD GLN A 80 10.446 6.637 -5.686 1.00 51.42 C ATOM 1115 OE1 GLN A 80 9.637 6.711 -6.611 1.00 65.20 O ATOM 1116 NE2 GLN A 80 11.755 6.769 -5.868 1.00 74.12 N ATOM 0 H GLN A 80 5.970 6.263 -2.664 1.00 64.53 H new ATOM 0 HA GLN A 80 8.820 6.542 -2.002 1.00 13.14 H new ATOM 0 HB2 GLN A 80 8.041 5.509 -4.441 1.00 30.32 H new ATOM 0 HB3 GLN A 80 8.088 7.226 -4.790 1.00 30.32 H new ATOM 0 HG2 GLN A 80 10.443 7.120 -3.602 1.00 52.24 H new ATOM 0 HG3 GLN A 80 10.330 5.404 -3.941 1.00 52.24 H new ATOM 0 HE21 GLN A 80 12.390 6.701 -5.073 1.00 74.12 H new ATOM 0 HE22 GLN A 80 12.125 6.939 -6.803 1.00 74.12 H new ATOM 1123 N ALA A 81 8.459 8.978 -1.822 1.00 52.45 N ATOM 1124 CA ALA A 81 8.226 10.402 -1.622 1.00 31.22 C ATOM 1125 C ALA A 81 9.500 11.206 -1.863 1.00 64.41 C ATOM 1126 O ALA A 81 10.598 10.651 -1.890 1.00 11.45 O ATOM 1127 CB ALA A 81 7.693 10.659 -0.220 1.00 73.11 C ATOM 0 H ALA A 81 9.285 8.615 -1.346 1.00 52.45 H new ATOM 0 HA ALA A 81 7.480 10.728 -2.347 1.00 31.22 H new ATOM 0 HB1 ALA A 81 7.524 11.727 -0.085 1.00 73.11 H new ATOM 0 HB2 ALA A 81 6.754 10.123 -0.084 1.00 73.11 H new ATOM 0 HB3 ALA A 81 8.419 10.311 0.515 1.00 73.11 H new ATOM 1133 N MET A 82 9.344 12.514 -2.037 1.00 21.45 N ATOM 1134 CA MET A 82 10.483 13.393 -2.274 1.00 63.41 C ATOM 1135 C MET A 82 10.463 14.580 -1.315 1.00 1.41 C ATOM 1136 O MET A 82 9.475 15.309 -1.235 1.00 42.22 O ATOM 1137 CB MET A 82 10.478 13.891 -3.721 1.00 20.24 C ATOM 1138 CG MET A 82 11.495 14.989 -3.990 1.00 22.51 C ATOM 1139 SD MET A 82 12.034 15.028 -5.709 1.00 54.41 S ATOM 1140 CE MET A 82 13.447 13.929 -5.646 1.00 65.05 C ATOM 0 H MET A 82 8.441 12.988 -2.018 1.00 21.45 H new ATOM 0 HA MET A 82 11.394 12.821 -2.097 1.00 63.41 H new ATOM 0 HB2 MET A 82 10.678 13.051 -4.386 1.00 20.24 H new ATOM 0 HB3 MET A 82 9.482 14.261 -3.966 1.00 20.24 H new ATOM 0 HG2 MET A 82 11.061 15.954 -3.727 1.00 22.51 H new ATOM 0 HG3 MET A 82 12.361 14.843 -3.345 1.00 22.51 H new ATOM 0 HE1 MET A 82 14.345 14.474 -5.937 1.00 65.05 H new ATOM 0 HE2 MET A 82 13.566 13.548 -4.632 1.00 65.05 H new ATOM 0 HE3 MET A 82 13.291 13.096 -6.331 1.00 65.05 H new ATOM 1148 N ASN A 83 11.560 14.767 -0.591 1.00 12.41 N ATOM 1149 CA ASN A 83 11.669 15.865 0.364 1.00 31.35 C ATOM 1150 C ASN A 83 12.171 17.133 -0.320 1.00 61.40 C ATOM 1151 O ASN A 83 12.545 17.111 -1.493 1.00 31.23 O ATOM 1152 CB ASN A 83 12.608 15.483 1.509 1.00 15.12 C ATOM 1153 CG ASN A 83 11.896 14.736 2.618 1.00 41.43 C ATOM 1154 OD1 ASN A 83 11.575 15.306 3.660 1.00 11.34 O ATOM 1155 ND2 ASN A 83 11.643 13.450 2.397 1.00 12.52 N ATOM 0 H ASN A 83 12.387 14.173 -0.646 1.00 12.41 H new ATOM 0 HA ASN A 83 10.676 16.061 0.769 1.00 31.35 H new ATOM 0 HB2 ASN A 83 13.417 14.865 1.120 1.00 15.12 H new ATOM 0 HB3 ASN A 83 13.064 16.385 1.917 1.00 15.12 H new ATOM 0 HD21 ASN A 83 11.164 12.895 3.107 1.00 12.52 H new ATOM 0 HD22 ASN A 83 11.927 13.018 1.518 1.00 12.52 H new ATOM 1161 N ARG A 84 12.177 18.236 0.421 1.00 61.31 N ATOM 1162 CA ARG A 84 12.632 19.514 -0.114 1.00 61.50 C ATOM 1163 C ARG A 84 14.142 19.504 -0.334 1.00 23.22 C ATOM 1164 O ARG A 84 14.677 20.332 -1.068 1.00 33.10 O ATOM 1165 CB ARG A 84 12.251 20.652 0.834 1.00 61.31 C ATOM 1166 CG ARG A 84 12.870 20.527 2.217 1.00 73.42 C ATOM 1167 CD ARG A 84 12.311 21.567 3.174 1.00 21.44 C ATOM 1168 NE ARG A 84 11.038 21.149 3.756 1.00 75.35 N ATOM 1169 CZ ARG A 84 10.927 20.193 4.671 1.00 21.34 C ATOM 1170 NH1 ARG A 84 12.007 19.561 5.107 1.00 5.40 N ATOM 1171 NH2 ARG A 84 9.734 19.869 5.152 1.00 62.02 N ATOM 0 H ARG A 84 11.872 18.271 1.394 1.00 61.31 H new ATOM 0 HA ARG A 84 12.143 19.672 -1.075 1.00 61.50 H new ATOM 0 HB2 ARG A 84 12.558 21.600 0.392 1.00 61.31 H new ATOM 0 HB3 ARG A 84 11.166 20.683 0.933 1.00 61.31 H new ATOM 0 HG2 ARG A 84 12.681 19.529 2.612 1.00 73.42 H new ATOM 0 HG3 ARG A 84 13.951 20.642 2.144 1.00 73.42 H new ATOM 0 HD2 ARG A 84 13.031 21.750 3.971 1.00 21.44 H new ATOM 0 HD3 ARG A 84 12.175 22.510 2.645 1.00 21.44 H new ATOM 0 HE ARG A 84 10.188 21.617 3.442 1.00 75.35 H new ATOM 0 HH11 ARG A 84 12.926 19.809 4.740 1.00 5.40 H new ATOM 0 HH12 ARG A 84 11.919 18.827 5.810 1.00 5.40 H new ATOM 0 HH21 ARG A 84 8.901 20.354 4.819 1.00 62.02 H new ATOM 0 HH22 ARG A 84 9.650 19.135 5.855 1.00 62.02 H new ATOM 1182 N ASN A 85 14.822 18.560 0.310 1.00 41.04 N ATOM 1183 CA ASN A 85 16.270 18.444 0.186 1.00 71.34 C ATOM 1184 C ASN A 85 16.656 17.885 -1.181 1.00 44.30 C ATOM 1185 O ASN A 85 17.791 18.041 -1.631 1.00 63.23 O ATOM 1186 CB ASN A 85 16.827 17.545 1.292 1.00 73.33 C ATOM 1187 CG ASN A 85 17.020 18.290 2.598 1.00 33.31 C ATOM 1188 OD1 ASN A 85 17.989 19.030 2.766 1.00 35.05 O ATOM 1189 ND2 ASN A 85 16.095 18.096 3.531 1.00 32.04 N ATOM 0 H ASN A 85 14.394 17.866 0.922 1.00 41.04 H new ATOM 0 HA ASN A 85 16.699 19.441 0.286 1.00 71.34 H new ATOM 0 HB2 ASN A 85 16.149 16.707 1.452 1.00 73.33 H new ATOM 0 HB3 ASN A 85 17.781 17.127 0.971 1.00 73.33 H new ATOM 0 HD21 ASN A 85 16.171 18.570 4.431 1.00 32.04 H new ATOM 0 HD22 ASN A 85 15.308 17.473 3.348 1.00 32.04 H new ATOM 1195 N GLY A 86 15.702 17.231 -1.838 1.00 52.10 N ATOM 1196 CA GLY A 86 15.959 16.659 -3.146 1.00 54.51 C ATOM 1197 C GLY A 86 16.046 15.146 -3.110 1.00 53.44 C ATOM 1198 O GLY A 86 15.962 14.486 -4.147 1.00 71.41 O ATOM 0 H GLY A 86 14.755 17.088 -1.487 1.00 52.10 H new ATOM 0 HA2 GLY A 86 15.167 16.958 -3.832 1.00 54.51 H new ATOM 0 HA3 GLY A 86 16.891 17.064 -3.540 1.00 54.51 H new ATOM 1202 N LYS A 87 16.218 14.593 -1.915 1.00 44.12 N ATOM 1203 CA LYS A 87 16.317 13.148 -1.747 1.00 65.22 C ATOM 1204 C LYS A 87 14.931 12.516 -1.643 1.00 2.34 C ATOM 1205 O LYS A 87 14.002 13.122 -1.110 1.00 23.01 O ATOM 1206 CB LYS A 87 17.135 12.813 -0.498 1.00 71.43 C ATOM 1207 CG LYS A 87 18.634 12.782 -0.745 1.00 12.35 C ATOM 1208 CD LYS A 87 19.258 14.154 -0.554 1.00 73.10 C ATOM 1209 CE LYS A 87 20.437 14.366 -1.492 1.00 64.42 C ATOM 1210 NZ LYS A 87 21.710 13.860 -0.905 1.00 62.33 N ATOM 0 H LYS A 87 16.292 15.124 -1.047 1.00 44.12 H new ATOM 0 HA LYS A 87 16.820 12.740 -2.624 1.00 65.22 H new ATOM 0 HB2 LYS A 87 16.918 13.548 0.277 1.00 71.43 H new ATOM 0 HB3 LYS A 87 16.818 11.843 -0.115 1.00 71.43 H new ATOM 0 HG2 LYS A 87 19.101 12.071 -0.064 1.00 12.35 H new ATOM 0 HG3 LYS A 87 18.830 12.430 -1.758 1.00 12.35 H new ATOM 0 HD2 LYS A 87 18.507 14.924 -0.732 1.00 73.10 H new ATOM 0 HD3 LYS A 87 19.589 14.264 0.479 1.00 73.10 H new ATOM 0 HE2 LYS A 87 20.245 13.858 -2.437 1.00 64.42 H new ATOM 0 HE3 LYS A 87 20.537 15.428 -1.716 1.00 64.42 H new ATOM 0 HZ1 LYS A 87 22.490 14.023 -1.574 1.00 62.33 H new ATOM 0 HZ2 LYS A 87 21.906 14.363 -0.016 1.00 62.33 H new ATOM 0 HZ3 LYS A 87 21.624 12.841 -0.715 1.00 62.33 H new ATOM 1220 N GLU A 88 14.802 11.296 -2.155 1.00 2.32 N ATOM 1221 CA GLU A 88 13.530 10.583 -2.118 1.00 54.32 C ATOM 1222 C GLU A 88 13.555 9.479 -1.064 1.00 34.41 C ATOM 1223 O GLU A 88 14.578 8.827 -0.856 1.00 42.45 O ATOM 1224 CB GLU A 88 13.215 9.986 -3.491 1.00 50.31 C ATOM 1225 CG GLU A 88 12.311 10.860 -4.343 1.00 2.35 C ATOM 1226 CD GLU A 88 11.359 10.051 -5.203 1.00 30.42 C ATOM 1227 OE1 GLU A 88 11.776 9.605 -6.291 1.00 43.13 O ATOM 1228 OE2 GLU A 88 10.196 9.867 -4.786 1.00 55.04 O ATOM 0 H GLU A 88 15.562 10.781 -2.600 1.00 2.32 H new ATOM 0 HA GLU A 88 12.750 11.297 -1.853 1.00 54.32 H new ATOM 0 HB2 GLU A 88 14.149 9.814 -4.026 1.00 50.31 H new ATOM 0 HB3 GLU A 88 12.742 9.013 -3.355 1.00 50.31 H new ATOM 0 HG2 GLU A 88 11.736 11.522 -3.695 1.00 2.35 H new ATOM 0 HG3 GLU A 88 12.924 11.494 -4.984 1.00 2.35 H new ATOM 1233 N THR A 89 12.421 9.278 -0.400 1.00 54.03 N ATOM 1234 CA THR A 89 12.312 8.256 0.632 1.00 5.42 C ATOM 1235 C THR A 89 11.550 7.038 0.123 1.00 42.23 C ATOM 1236 O THR A 89 10.465 7.164 -0.445 1.00 53.24 O ATOM 1237 CB THR A 89 11.606 8.800 1.889 1.00 40.24 C ATOM 1238 OG1 THR A 89 11.360 10.203 1.743 1.00 24.04 O ATOM 1239 CG2 THR A 89 12.448 8.555 3.131 1.00 3.12 C ATOM 0 H THR A 89 11.565 9.810 -0.559 1.00 54.03 H new ATOM 0 HA THR A 89 13.329 7.962 0.893 1.00 5.42 H new ATOM 0 HB THR A 89 10.658 8.274 2.003 1.00 40.24 H new ATOM 0 HG1 THR A 89 11.885 10.698 2.406 1.00 24.04 H new ATOM 0 HG21 THR A 89 11.929 8.948 4.006 1.00 3.12 H new ATOM 0 HG22 THR A 89 12.610 7.484 3.255 1.00 3.12 H new ATOM 0 HG23 THR A 89 13.409 9.057 3.024 1.00 3.12 H new ATOM 1247 N LYS A 90 12.123 5.857 0.330 1.00 52.31 N ATOM 1248 CA LYS A 90 11.498 4.615 -0.107 1.00 25.14 C ATOM 1249 C LYS A 90 10.914 3.853 1.078 1.00 23.41 C ATOM 1250 O LYS A 90 11.471 3.872 2.176 1.00 41.14 O ATOM 1251 CB LYS A 90 12.516 3.737 -0.838 1.00 52.11 C ATOM 1252 CG LYS A 90 13.642 4.522 -1.487 1.00 35.21 C ATOM 1253 CD LYS A 90 14.252 3.763 -2.654 1.00 21.22 C ATOM 1254 CE LYS A 90 13.490 4.021 -3.946 1.00 12.11 C ATOM 1255 NZ LYS A 90 14.194 3.450 -5.128 1.00 21.35 N ATOM 0 H LYS A 90 13.021 5.734 0.799 1.00 52.31 H new ATOM 0 HA LYS A 90 10.687 4.867 -0.790 1.00 25.14 H new ATOM 0 HB2 LYS A 90 12.942 3.024 -0.132 1.00 52.11 H new ATOM 0 HB3 LYS A 90 12.000 3.158 -1.604 1.00 52.11 H new ATOM 0 HG2 LYS A 90 13.263 5.483 -1.835 1.00 35.21 H new ATOM 0 HG3 LYS A 90 14.413 4.733 -0.746 1.00 35.21 H new ATOM 0 HD2 LYS A 90 15.293 4.061 -2.779 1.00 21.22 H new ATOM 0 HD3 LYS A 90 14.250 2.695 -2.436 1.00 21.22 H new ATOM 0 HE2 LYS A 90 12.493 3.587 -3.872 1.00 12.11 H new ATOM 0 HE3 LYS A 90 13.361 5.095 -4.084 1.00 12.11 H new ATOM 0 HZ1 LYS A 90 13.498 3.196 -5.858 1.00 21.35 H new ATOM 0 HZ2 LYS A 90 14.856 4.154 -5.511 1.00 21.35 H new ATOM 0 HZ3 LYS A 90 14.720 2.600 -4.841 1.00 21.35 H new ATOM 1265 N SER A 91 9.787 3.185 0.850 1.00 2.35 N ATOM 1266 CA SER A 91 9.127 2.420 1.900 1.00 25.21 C ATOM 1267 C SER A 91 8.490 1.155 1.331 1.00 24.13 C ATOM 1268 O SER A 91 7.701 1.213 0.390 1.00 74.34 O ATOM 1269 CB SER A 91 8.062 3.275 2.590 1.00 61.31 C ATOM 1270 OG SER A 91 8.650 4.369 3.271 1.00 21.53 O ATOM 0 H SER A 91 9.313 3.159 -0.053 1.00 2.35 H new ATOM 0 HA SER A 91 9.880 2.129 2.632 1.00 25.21 H new ATOM 0 HB2 SER A 91 7.351 3.643 1.850 1.00 61.31 H new ATOM 0 HB3 SER A 91 7.500 2.663 3.295 1.00 61.31 H new ATOM 0 HG SER A 91 8.555 5.180 2.730 1.00 21.53 H new ATOM 1275 N ASN A 92 8.840 0.012 1.913 1.00 53.24 N ATOM 1276 CA ASN A 92 8.303 -1.268 1.465 1.00 64.05 C ATOM 1277 C ASN A 92 7.546 -1.966 2.591 1.00 60.52 C ATOM 1278 O ASN A 92 8.094 -2.206 3.666 1.00 74.30 O ATOM 1279 CB ASN A 92 9.431 -2.170 0.960 1.00 11.44 C ATOM 1280 CG ASN A 92 9.067 -3.641 1.016 1.00 53.02 C ATOM 1281 OD1 ASN A 92 9.565 -4.385 1.860 1.00 30.33 O ATOM 1282 ND2 ASN A 92 8.192 -4.067 0.112 1.00 74.30 N ATOM 0 H ASN A 92 9.492 -0.054 2.695 1.00 53.24 H new ATOM 0 HA ASN A 92 7.607 -1.075 0.649 1.00 64.05 H new ATOM 0 HB2 ASN A 92 9.677 -1.899 -0.067 1.00 11.44 H new ATOM 0 HB3 ASN A 92 10.326 -1.997 1.558 1.00 11.44 H new ATOM 0 HD21 ASN A 92 7.908 -5.047 0.099 1.00 74.30 H new ATOM 0 HD22 ASN A 92 7.804 -3.415 -0.570 1.00 74.30 H new ATOM 1288 N TYR A 93 6.282 -2.287 2.335 1.00 21.13 N ATOM 1289 CA TYR A 93 5.449 -2.954 3.328 1.00 44.52 C ATOM 1290 C TYR A 93 4.802 -4.207 2.744 1.00 44.32 C ATOM 1291 O TYR A 93 4.036 -4.132 1.783 1.00 52.25 O ATOM 1292 CB TYR A 93 4.369 -2.002 3.843 1.00 73.34 C ATOM 1293 CG TYR A 93 4.882 -0.980 4.830 1.00 3.44 C ATOM 1294 CD1 TYR A 93 5.731 0.043 4.426 1.00 4.11 C ATOM 1295 CD2 TYR A 93 4.520 -1.038 6.171 1.00 71.32 C ATOM 1296 CE1 TYR A 93 6.204 0.978 5.326 1.00 32.52 C ATOM 1297 CE2 TYR A 93 4.987 -0.107 7.078 1.00 34.24 C ATOM 1298 CZ TYR A 93 5.828 0.899 6.652 1.00 54.11 C ATOM 1299 OH TYR A 93 6.297 1.830 7.551 1.00 21.13 O ATOM 0 H TYR A 93 5.813 -2.096 1.450 1.00 21.13 H new ATOM 0 HA TYR A 93 6.088 -3.251 4.160 1.00 44.52 H new ATOM 0 HB2 TYR A 93 3.920 -1.483 2.996 1.00 73.34 H new ATOM 0 HB3 TYR A 93 3.578 -2.585 4.315 1.00 73.34 H new ATOM 0 HD1 TYR A 93 6.027 0.108 3.389 1.00 4.11 H new ATOM 0 HD2 TYR A 93 3.862 -1.825 6.509 1.00 71.32 H new ATOM 0 HE1 TYR A 93 6.864 1.766 4.994 1.00 32.52 H new ATOM 0 HE2 TYR A 93 4.695 -0.167 8.116 1.00 34.24 H new ATOM 0 HH TYR A 93 5.938 1.634 8.442 1.00 21.13 H new ATOM 1308 N ARG A 94 5.116 -5.356 3.331 1.00 25.43 N ATOM 1309 CA ARG A 94 4.566 -6.625 2.870 1.00 62.24 C ATOM 1310 C ARG A 94 3.176 -6.860 3.450 1.00 22.55 C ATOM 1311 O ARG A 94 2.968 -6.738 4.659 1.00 62.25 O ATOM 1312 CB ARG A 94 5.494 -7.779 3.257 1.00 73.12 C ATOM 1313 CG ARG A 94 6.969 -7.465 3.065 1.00 21.32 C ATOM 1314 CD ARG A 94 7.269 -7.048 1.634 1.00 43.33 C ATOM 1315 NE ARG A 94 8.676 -7.236 1.292 1.00 21.24 N ATOM 1316 CZ ARG A 94 9.193 -8.402 0.919 1.00 21.12 C ATOM 1317 NH1 ARG A 94 8.421 -9.476 0.839 1.00 44.30 N ATOM 1318 NH2 ARG A 94 10.483 -8.493 0.624 1.00 74.53 N ATOM 0 H ARG A 94 5.749 -5.435 4.127 1.00 25.43 H new ATOM 0 HA ARG A 94 4.484 -6.582 1.784 1.00 62.24 H new ATOM 0 HB2 ARG A 94 5.320 -8.040 4.301 1.00 73.12 H new ATOM 0 HB3 ARG A 94 5.237 -8.656 2.662 1.00 73.12 H new ATOM 0 HG2 ARG A 94 7.264 -6.667 3.747 1.00 21.32 H new ATOM 0 HG3 ARG A 94 7.565 -8.341 3.322 1.00 21.32 H new ATOM 0 HD2 ARG A 94 6.649 -7.628 0.950 1.00 43.33 H new ATOM 0 HD3 ARG A 94 7.000 -6.001 1.498 1.00 43.33 H new ATOM 0 HE ARG A 94 9.296 -6.428 1.342 1.00 21.24 H new ATOM 0 HH11 ARG A 94 7.428 -9.408 1.064 1.00 44.30 H new ATOM 0 HH12 ARG A 94 8.819 -10.370 0.553 1.00 44.30 H new ATOM 0 HH22 ARG A 94 10.879 -9.388 0.338 1.00 74.53 H new ATOM 1329 N VAL A 95 2.226 -7.195 2.584 1.00 43.25 N ATOM 1330 CA VAL A 95 0.855 -7.448 3.011 1.00 74.11 C ATOM 1331 C VAL A 95 0.423 -8.867 2.664 1.00 41.12 C ATOM 1332 O VAL A 95 0.600 -9.322 1.533 1.00 23.23 O ATOM 1333 CB VAL A 95 -0.126 -6.451 2.364 1.00 4.10 C ATOM 1334 CG1 VAL A 95 -1.565 -6.877 2.620 1.00 2.10 C ATOM 1335 CG2 VAL A 95 0.122 -5.044 2.887 1.00 1.45 C ATOM 0 H VAL A 95 2.381 -7.298 1.581 1.00 43.25 H new ATOM 0 HA VAL A 95 0.832 -7.320 4.093 1.00 74.11 H new ATOM 0 HB VAL A 95 0.042 -6.449 1.287 1.00 4.10 H new ATOM 0 HG11 VAL A 95 -2.244 -6.162 2.156 1.00 2.10 H new ATOM 0 HG12 VAL A 95 -1.733 -7.866 2.194 1.00 2.10 H new ATOM 0 HG13 VAL A 95 -1.750 -6.909 3.694 1.00 2.10 H new ATOM 0 HG21 VAL A 95 -0.580 -4.353 2.419 1.00 1.45 H new ATOM 0 HG22 VAL A 95 -0.018 -5.028 3.968 1.00 1.45 H new ATOM 0 HG23 VAL A 95 1.142 -4.742 2.649 1.00 1.45 H new ATOM 1345 N ARG A 96 -0.146 -9.564 3.642 1.00 23.23 N ATOM 1346 CA ARG A 96 -0.603 -10.934 3.440 1.00 14.23 C ATOM 1347 C ARG A 96 -2.031 -11.110 3.948 1.00 61.01 C ATOM 1348 O ARG A 96 -2.344 -10.762 5.087 1.00 41.00 O ATOM 1349 CB ARG A 96 0.329 -11.915 4.154 1.00 33.41 C ATOM 1350 CG ARG A 96 -0.302 -13.274 4.413 1.00 10.45 C ATOM 1351 CD ARG A 96 -0.646 -13.985 3.114 1.00 65.34 C ATOM 1352 NE ARG A 96 -0.536 -15.436 3.238 1.00 34.11 N ATOM 1353 CZ ARG A 96 0.614 -16.096 3.142 1.00 31.33 C ATOM 1354 NH1 ARG A 96 1.744 -15.438 2.923 1.00 22.31 N ATOM 1355 NH2 ARG A 96 0.633 -17.417 3.266 1.00 12.43 N ATOM 0 H ARG A 96 -0.302 -9.202 4.583 1.00 23.23 H new ATOM 0 HA ARG A 96 -0.588 -11.143 2.370 1.00 14.23 H new ATOM 0 HB2 ARG A 96 1.229 -12.050 3.555 1.00 33.41 H new ATOM 0 HB3 ARG A 96 0.641 -11.481 5.104 1.00 33.41 H new ATOM 0 HG2 ARG A 96 0.383 -13.890 4.995 1.00 10.45 H new ATOM 0 HG3 ARG A 96 -1.205 -13.149 5.011 1.00 10.45 H new ATOM 0 HD2 ARG A 96 -1.661 -13.723 2.815 1.00 65.34 H new ATOM 0 HD3 ARG A 96 0.019 -13.637 2.323 1.00 65.34 H new ATOM 0 HE ARG A 96 -1.387 -15.972 3.407 1.00 34.11 H new ATOM 0 HH11 ARG A 96 1.733 -14.423 2.828 1.00 22.31 H new ATOM 0 HH12 ARG A 96 2.625 -15.947 2.850 1.00 22.31 H new ATOM 0 HH21 ARG A 96 -0.235 -17.926 3.435 1.00 12.43 H new ATOM 0 HH22 ARG A 96 1.515 -17.924 3.192 1.00 12.43 H new ATOM 1366 N VAL A 97 -2.893 -11.654 3.096 1.00 64.01 N ATOM 1367 CA VAL A 97 -4.288 -11.878 3.457 1.00 13.34 C ATOM 1368 C VAL A 97 -4.502 -13.300 3.965 1.00 31.22 C ATOM 1369 O VAL A 97 -3.559 -14.083 4.067 1.00 11.41 O ATOM 1370 CB VAL A 97 -5.225 -11.626 2.261 1.00 53.15 C ATOM 1371 CG1 VAL A 97 -5.023 -10.222 1.712 1.00 32.25 C ATOM 1372 CG2 VAL A 97 -4.999 -12.668 1.177 1.00 20.11 C ATOM 0 H VAL A 97 -2.650 -11.948 2.150 1.00 64.01 H new ATOM 0 HA VAL A 97 -4.527 -11.171 4.251 1.00 13.34 H new ATOM 0 HB VAL A 97 -6.256 -11.712 2.605 1.00 53.15 H new ATOM 0 HG11 VAL A 97 -5.693 -10.062 0.867 1.00 32.25 H new ATOM 0 HG12 VAL A 97 -5.240 -9.492 2.492 1.00 32.25 H new ATOM 0 HG13 VAL A 97 -3.990 -10.105 1.383 1.00 32.25 H new ATOM 0 HG21 VAL A 97 -5.670 -12.474 0.340 1.00 20.11 H new ATOM 0 HG22 VAL A 97 -3.966 -12.617 0.833 1.00 20.11 H new ATOM 0 HG23 VAL A 97 -5.199 -13.661 1.579 1.00 20.11 H new ATOM 1382 N TYR A 98 -5.750 -13.627 4.281 1.00 42.12 N ATOM 1383 CA TYR A 98 -6.089 -14.954 4.781 1.00 73.34 C ATOM 1384 C TYR A 98 -5.883 -16.012 3.700 1.00 30.14 C ATOM 1385 O TYR A 98 -4.849 -16.677 3.659 1.00 73.02 O ATOM 1386 CB TYR A 98 -7.539 -14.984 5.268 1.00 72.12 C ATOM 1387 CG TYR A 98 -8.027 -16.367 5.635 1.00 53.44 C ATOM 1388 CD1 TYR A 98 -7.507 -17.040 6.734 1.00 71.42 C ATOM 1389 CD2 TYR A 98 -9.007 -17.001 4.883 1.00 64.35 C ATOM 1390 CE1 TYR A 98 -7.949 -18.303 7.072 1.00 11.42 C ATOM 1391 CE2 TYR A 98 -9.456 -18.266 5.214 1.00 33.53 C ATOM 1392 CZ TYR A 98 -8.924 -18.912 6.309 1.00 22.03 C ATOM 1393 OH TYR A 98 -9.368 -20.171 6.643 1.00 70.30 O ATOM 0 H TYR A 98 -6.544 -12.991 4.200 1.00 42.12 H new ATOM 0 HA TYR A 98 -5.427 -15.179 5.617 1.00 73.34 H new ATOM 0 HB2 TYR A 98 -7.635 -14.332 6.136 1.00 72.12 H new ATOM 0 HB3 TYR A 98 -8.183 -14.575 4.489 1.00 72.12 H new ATOM 0 HD1 TYR A 98 -6.744 -16.567 7.334 1.00 71.42 H new ATOM 0 HD2 TYR A 98 -9.426 -16.497 4.024 1.00 64.35 H new ATOM 0 HE1 TYR A 98 -7.534 -18.812 7.929 1.00 11.42 H new ATOM 0 HE2 TYR A 98 -10.219 -18.745 4.618 1.00 33.53 H new ATOM 0 HH TYR A 98 -10.056 -20.455 6.006 1.00 70.30 H new ATOM 1402 N GLN A 99 -6.875 -16.159 2.828 1.00 63.53 N ATOM 1403 CA GLN A 99 -6.804 -17.135 1.747 1.00 32.12 C ATOM 1404 C GLN A 99 -5.587 -16.881 0.865 1.00 72.25 C ATOM 1405 O GLN A 99 -5.274 -15.735 0.537 1.00 42.42 O ATOM 1406 CB GLN A 99 -8.079 -17.089 0.905 1.00 71.22 C ATOM 1407 CG GLN A 99 -8.306 -18.343 0.075 1.00 75.25 C ATOM 1408 CD GLN A 99 -8.788 -19.514 0.908 1.00 65.34 C ATOM 1409 OE1 GLN A 99 -7.855 -20.212 1.545 1.00 21.42 O flip ATOM 1410 NE2 GLN A 99 -9.986 -19.790 0.977 1.00 0.25 N flip ATOM 0 H GLN A 99 -7.737 -15.615 2.849 1.00 63.53 H new ATOM 0 HA GLN A 99 -6.707 -18.126 2.191 1.00 32.12 H new ATOM 0 HB2 GLN A 99 -8.934 -16.940 1.564 1.00 71.22 H new ATOM 0 HB3 GLN A 99 -8.034 -16.226 0.240 1.00 71.22 H new ATOM 0 HG2 GLN A 99 -9.038 -18.131 -0.704 1.00 75.25 H new ATOM 0 HG3 GLN A 99 -7.377 -18.616 -0.426 1.00 75.25 H new ATOM 0 HE21 GLN A 99 -10.669 -19.226 0.471 1.00 0.25 H new ATOM 0 HE22 GLN A 99 -10.295 -20.582 1.540 1.00 0.25 H new ATOM 1417 N ILE A 100 -4.904 -17.955 0.482 1.00 14.42 N ATOM 1418 CA ILE A 100 -3.723 -17.848 -0.365 1.00 2.34 C ATOM 1419 C ILE A 100 -3.912 -18.608 -1.672 1.00 50.13 C ATOM 1420 O ILE A 100 -4.758 -19.494 -1.787 1.00 25.40 O ATOM 1421 CB ILE A 100 -2.468 -18.383 0.351 1.00 12.31 C ATOM 1422 CG1 ILE A 100 -2.862 -19.389 1.434 1.00 63.23 C ATOM 1423 CG2 ILE A 100 -1.671 -17.235 0.952 1.00 52.14 C ATOM 1424 CD1 ILE A 100 -3.437 -20.675 0.884 1.00 51.43 C ATOM 0 H ILE A 100 -5.149 -18.910 0.745 1.00 14.42 H new ATOM 0 HA ILE A 100 -3.585 -16.789 -0.582 1.00 2.34 H new ATOM 0 HB ILE A 100 -1.840 -18.892 -0.380 1.00 12.31 H new ATOM 0 HG12 ILE A 100 -1.985 -19.622 2.038 1.00 63.23 H new ATOM 0 HG13 ILE A 100 -3.594 -18.928 2.098 1.00 63.23 H new ATOM 0 HG21 ILE A 100 -0.788 -17.629 1.454 1.00 52.14 H new ATOM 0 HG22 ILE A 100 -1.364 -16.552 0.160 1.00 52.14 H new ATOM 0 HG23 ILE A 100 -2.290 -16.700 1.673 1.00 52.14 H new ATOM 0 HD11 ILE A 100 -3.694 -21.341 1.708 1.00 51.43 H new ATOM 0 HD12 ILE A 100 -4.333 -20.454 0.304 1.00 51.43 H new ATOM 0 HD13 ILE A 100 -2.700 -21.159 0.243 1.00 51.43 H new ATOM 1435 N PRO A 101 -3.102 -18.257 -2.682 1.00 61.52 N ATOM 1436 CA PRO A 101 -3.159 -18.896 -4.001 1.00 42.11 C ATOM 1437 C PRO A 101 -2.658 -20.335 -3.969 1.00 53.20 C ATOM 1438 O PRO A 101 -1.839 -20.699 -3.128 1.00 11.33 O ATOM 1439 CB PRO A 101 -2.235 -18.026 -4.857 1.00 62.32 C ATOM 1440 CG PRO A 101 -1.289 -17.409 -3.886 1.00 41.53 C ATOM 1441 CD PRO A 101 -2.070 -17.209 -2.616 1.00 43.25 C ATOM 0 HA PRO A 101 -4.179 -18.959 -4.380 1.00 42.11 H new ATOM 0 HB2 PRO A 101 -1.706 -18.623 -5.600 1.00 62.32 H new ATOM 0 HB3 PRO A 101 -2.797 -17.266 -5.399 1.00 62.32 H new ATOM 0 HG2 PRO A 101 -0.427 -18.055 -3.717 1.00 41.53 H new ATOM 0 HG3 PRO A 101 -0.907 -16.460 -4.263 1.00 41.53 H new ATOM 0 HD2 PRO A 101 -1.439 -17.321 -1.734 1.00 43.25 H new ATOM 0 HD3 PRO A 101 -2.511 -16.213 -2.568 1.00 43.25 H new ATOM 1446 N GLY A 102 -3.156 -21.151 -4.895 1.00 13.31 N ATOM 1447 CA GLY A 102 -2.745 -22.542 -4.955 1.00 74.44 C ATOM 1448 C GLY A 102 -3.576 -23.349 -5.932 1.00 74.14 C ATOM 1449 O GLY A 102 -4.753 -23.615 -5.687 1.00 1.34 O ATOM 0 H GLY A 102 -3.836 -20.874 -5.603 1.00 13.31 H new ATOM 0 HA2 GLY A 102 -1.695 -22.596 -5.244 1.00 74.44 H new ATOM 0 HA3 GLY A 102 -2.825 -22.985 -3.962 1.00 74.44 H new ATOM 1453 N LYS A 103 -2.965 -23.741 -7.045 1.00 34.32 N ATOM 1454 CA LYS A 103 -3.656 -24.523 -8.064 1.00 24.54 C ATOM 1455 C LYS A 103 -4.075 -25.883 -7.514 1.00 11.53 C ATOM 1456 O LYS A 103 -3.551 -26.361 -6.507 1.00 72.33 O ATOM 1457 CB LYS A 103 -2.757 -24.710 -9.289 1.00 65.11 C ATOM 1458 CG LYS A 103 -2.928 -23.628 -10.340 1.00 65.22 C ATOM 1459 CD LYS A 103 -1.987 -22.460 -10.095 1.00 60.53 C ATOM 1460 CE LYS A 103 -0.571 -22.781 -10.547 1.00 42.24 C ATOM 1461 NZ LYS A 103 -0.458 -22.819 -12.031 1.00 73.01 N ATOM 0 H LYS A 103 -1.992 -23.530 -7.265 1.00 34.32 H new ATOM 0 HA LYS A 103 -4.553 -23.978 -8.359 1.00 24.54 H new ATOM 0 HB2 LYS A 103 -1.716 -24.729 -8.966 1.00 65.11 H new ATOM 0 HB3 LYS A 103 -2.969 -25.679 -9.740 1.00 65.11 H new ATOM 0 HG2 LYS A 103 -2.740 -24.047 -11.329 1.00 65.22 H new ATOM 0 HG3 LYS A 103 -3.959 -23.274 -10.334 1.00 65.22 H new ATOM 0 HD2 LYS A 103 -2.350 -21.581 -10.628 1.00 60.53 H new ATOM 0 HD3 LYS A 103 -1.984 -22.210 -9.034 1.00 60.53 H new ATOM 0 HE2 LYS A 103 0.115 -22.033 -10.150 1.00 42.24 H new ATOM 0 HE3 LYS A 103 -0.268 -23.743 -10.135 1.00 42.24 H new ATOM 0 HZ1 LYS A 103 0.544 -22.769 -12.304 1.00 73.01 H new ATOM 0 HZ2 LYS A 103 -0.870 -23.705 -12.388 1.00 73.01 H new ATOM 0 HZ3 LYS A 103 -0.969 -22.010 -12.439 1.00 73.01 H new ATOM 1471 N PRO A 104 -5.041 -26.522 -8.189 1.00 10.24 N ATOM 1472 CA PRO A 104 -5.550 -27.838 -7.787 1.00 73.24 C ATOM 1473 C PRO A 104 -4.527 -28.947 -8.006 1.00 3.11 C ATOM 1474 O PRO A 104 -3.384 -28.684 -8.384 1.00 64.51 O ATOM 1475 CB PRO A 104 -6.764 -28.042 -8.698 1.00 12.11 C ATOM 1476 CG PRO A 104 -6.482 -27.203 -9.897 1.00 3.23 C ATOM 1477 CD PRO A 104 -5.711 -26.012 -9.398 1.00 21.13 C ATOM 0 HA PRO A 104 -5.787 -27.876 -6.724 1.00 73.24 H new ATOM 0 HB2 PRO A 104 -6.885 -29.091 -8.968 1.00 12.11 H new ATOM 0 HB3 PRO A 104 -7.685 -27.732 -8.205 1.00 12.11 H new ATOM 0 HG2 PRO A 104 -5.905 -27.760 -10.636 1.00 3.23 H new ATOM 0 HG3 PRO A 104 -7.407 -26.893 -10.383 1.00 3.23 H new ATOM 0 HD2 PRO A 104 -4.992 -25.660 -10.138 1.00 21.13 H new ATOM 0 HD3 PRO A 104 -6.369 -25.174 -9.169 1.00 21.13 H new ATOM 1482 N GLU A 105 -4.943 -30.186 -7.767 1.00 72.41 N ATOM 1483 CA GLU A 105 -4.062 -31.334 -7.937 1.00 53.54 C ATOM 1484 C GLU A 105 -3.553 -31.421 -9.373 1.00 15.24 C ATOM 1485 O GLU A 105 -2.349 -31.359 -9.621 1.00 15.20 O ATOM 1486 CB GLU A 105 -4.791 -32.626 -7.566 1.00 2.01 C ATOM 1487 CG GLU A 105 -4.739 -32.951 -6.081 1.00 52.44 C ATOM 1488 CD GLU A 105 -5.754 -32.165 -5.277 1.00 2.02 C ATOM 1489 OE1 GLU A 105 -6.900 -32.014 -5.752 1.00 41.11 O ATOM 1490 OE2 GLU A 105 -5.406 -31.702 -4.170 1.00 53.54 O ATOM 0 H GLU A 105 -5.885 -30.420 -7.455 1.00 72.41 H new ATOM 0 HA GLU A 105 -3.208 -31.204 -7.273 1.00 53.54 H new ATOM 0 HB2 GLU A 105 -5.833 -32.547 -7.876 1.00 2.01 H new ATOM 0 HB3 GLU A 105 -4.354 -33.453 -8.126 1.00 2.01 H new ATOM 0 HG2 GLU A 105 -4.916 -34.017 -5.940 1.00 52.44 H new ATOM 0 HG3 GLU A 105 -3.739 -32.741 -5.702 1.00 52.44 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 8.864 -12.884 -8.033 1.00 64.44 N ATOM 1497 CA ASP B 1 9.034 -11.869 -6.999 1.00 61.04 C ATOM 1498 C ASP B 1 7.764 -11.040 -6.836 1.00 2.21 C ATOM 1499 O ASP B 1 6.780 -11.248 -7.544 1.00 44.53 O ATOM 1500 CB ASP B 1 10.213 -10.956 -7.342 1.00 20.31 C ATOM 1501 CG ASP B 1 11.371 -11.713 -7.964 1.00 63.35 C ATOM 1502 OD1 ASP B 1 11.340 -11.937 -9.192 1.00 21.51 O ATOM 1503 OD2 ASP B 1 12.304 -12.082 -7.224 1.00 13.55 O ATOM 0 H1 ASP B 1 9.415 -13.730 -7.783 1.00 64.44 H new ATOM 0 H2 ASP B 1 7.858 -13.136 -8.110 1.00 64.44 H new ATOM 0 H3 ASP B 1 9.197 -12.510 -8.944 1.00 64.44 H new ATOM 0 HA ASP B 1 9.238 -12.376 -6.056 1.00 61.04 H new ATOM 0 HB2 ASP B 1 9.879 -10.180 -8.030 1.00 20.31 H new ATOM 0 HB3 ASP B 1 10.555 -10.454 -6.437 1.00 20.31 H new ATOM 1507 N GLU B 2 7.794 -10.100 -5.897 1.00 2.04 N ATOM 1508 CA GLU B 2 6.643 -9.242 -5.638 1.00 53.21 C ATOM 1509 C GLU B 2 7.069 -7.781 -5.522 1.00 40.03 C ATOM 1510 O GLU B 2 6.635 -6.933 -6.302 1.00 35.14 O ATOM 1511 CB GLU B 2 5.929 -9.679 -4.358 1.00 12.42 C ATOM 1512 CG GLU B 2 6.612 -10.835 -3.644 1.00 35.05 C ATOM 1513 CD GLU B 2 7.933 -10.431 -3.015 1.00 5.22 C ATOM 1514 OE1 GLU B 2 7.940 -9.481 -2.205 1.00 44.15 O ATOM 1515 OE2 GLU B 2 8.958 -11.068 -3.333 1.00 71.03 O ATOM 0 H GLU B 2 8.602 -9.913 -5.303 1.00 2.04 H new ATOM 0 HA GLU B 2 5.956 -9.337 -6.479 1.00 53.21 H new ATOM 0 HB2 GLU B 2 5.867 -8.829 -3.678 1.00 12.42 H new ATOM 0 HB3 GLU B 2 4.907 -9.967 -4.603 1.00 12.42 H new ATOM 0 HG2 GLU B 2 5.949 -11.223 -2.871 1.00 35.05 H new ATOM 0 HG3 GLU B 2 6.784 -11.645 -4.353 1.00 35.05 H new ATOM 1520 N PHE B 3 7.922 -7.495 -4.543 1.00 64.34 N ATOM 1521 CA PHE B 3 8.406 -6.137 -4.324 1.00 4.41 C ATOM 1522 C PHE B 3 9.384 -6.092 -3.154 1.00 70.43 C ATOM 1523 O PHE B 3 8.949 -6.182 -2.058 1.00 71.24 O ATOM 1524 CB PHE B 3 7.232 -5.192 -4.058 1.00 74.34 C ATOM 1525 CG PHE B 3 7.429 -3.818 -4.633 1.00 54.23 C ATOM 1526 CD1 PHE B 3 8.433 -2.990 -4.157 1.00 63.10 C ATOM 1527 CD2 PHE B 3 6.610 -3.354 -5.651 1.00 11.35 C ATOM 1528 CE1 PHE B 3 8.617 -1.726 -4.683 1.00 2.14 C ATOM 1529 CE2 PHE B 3 6.790 -2.091 -6.181 1.00 23.34 C ATOM 1530 CZ PHE B 3 7.794 -1.275 -5.695 1.00 71.54 C ATOM 0 H PHE B 3 8.292 -8.185 -3.889 1.00 64.34 H new ATOM 0 HA PHE B 3 8.928 -5.813 -5.225 1.00 4.41 H new ATOM 0 HB2 PHE B 3 6.324 -5.626 -4.477 1.00 74.34 H new ATOM 0 HB3 PHE B 3 7.079 -5.109 -2.982 1.00 74.34 H new ATOM 0 HD1 PHE B 3 9.080 -3.337 -3.365 1.00 63.10 H new ATOM 0 HD2 PHE B 3 5.823 -3.987 -6.034 1.00 11.35 H new ATOM 0 HE1 PHE B 3 9.404 -1.091 -4.303 1.00 2.14 H new ATOM 0 HE2 PHE B 3 6.146 -1.741 -6.975 1.00 23.34 H new ATOM 0 HZ PHE B 3 7.934 -0.286 -6.106 1.00 71.54 H new HETATM 1539 N MCL B 4 10.592 -5.961 -3.450 1.00 25.22 N HETATM 1540 CA MCL B 4 11.650 -5.906 -2.447 1.00 21.24 C HETATM 1541 CB MCL B 4 11.752 -4.480 -1.866 1.00 10.33 C HETATM 1542 CG MCL B 4 11.781 -3.450 -3.014 1.00 14.13 C HETATM 1543 CD MCL B 4 13.082 -2.622 -2.937 1.00 51.14 C HETATM 1544 CE MCL B 4 12.831 -1.214 -3.517 1.00 50.43 C HETATM 1545 NZ MCL B 4 11.930 -0.466 -2.631 1.00 3.44 N HETATM 1546 CX1 MCL B 4 11.326 0.703 -3.392 1.00 25.23 C HETATM 1547 C1 MCL B 4 12.445 1.673 -3.816 1.00 24.45 C HETATM 1548 CX2 MCL B 4 10.308 1.447 -2.508 1.00 5.23 C HETATM 1549 O1 MCL B 4 8.915 1.093 -2.941 1.00 74.43 O HETATM 1550 O2 MCL B 4 10.502 1.046 -1.075 1.00 42.42 O HETATM 1551 C MCL B 4 11.297 -6.863 -1.364 1.00 23.30 C HETATM 1552 O MCL B 4 10.757 -7.939 -1.615 1.00 74.05 O HETATM 0 HX1 MCL B 4 10.814 0.323 -4.276 1.00 25.23 H new HETATM 0 HG3 MCL B 4 11.720 -3.960 -3.975 1.00 14.13 H new HETATM 0 HG2 MCL B 4 10.915 -2.792 -2.947 1.00 14.13 H new HETATM 0 HE3 MCL B 4 13.776 -0.681 -3.625 1.00 50.43 H new HETATM 0 HE2 MCL B 4 12.394 -1.293 -4.513 1.00 50.43 H new HETATM 0 HD3 MCL B 4 13.417 -2.546 -1.902 1.00 51.14 H new HETATM 0 HD2 MCL B 4 13.876 -3.120 -3.493 1.00 51.14 H new HETATM 0 HB3 MCL B 4 10.904 -4.283 -1.210 1.00 10.33 H new HETATM 0 HB2 MCL B 4 12.653 -4.388 -1.259 1.00 10.33 H new HETATM 0 HA MCL B 4 12.610 -6.166 -2.893 1.00 21.24 H new HETATM 0 H13 MCL B 4 12.960 2.044 -2.930 1.00 24.45 H new HETATM 0 H12 MCL B 4 13.156 1.151 -4.457 1.00 24.45 H new HETATM 0 H11 MCL B 4 12.012 2.511 -4.362 1.00 24.45 H new ATOM 1568 N ALA B 5 11.601 -6.477 -0.129 1.00 24.10 N ATOM 1569 CA ALA B 5 11.310 -7.317 1.027 1.00 23.24 C ATOM 1570 C ALA B 5 12.273 -8.496 1.106 1.00 41.15 C ATOM 1571 O ALA B 5 13.136 -8.549 1.981 1.00 31.41 O ATOM 1572 CB ALA B 5 9.871 -7.811 0.972 1.00 72.40 C ATOM 0 H ALA B 5 12.048 -5.589 0.097 1.00 24.10 H new ATOM 0 HA ALA B 5 11.442 -6.714 1.925 1.00 23.24 H new ATOM 0 HB1 ALA B 5 9.668 -8.437 1.841 1.00 72.40 H new ATOM 0 HB2 ALA B 5 9.193 -6.958 0.973 1.00 72.40 H new ATOM 0 HB3 ALA B 5 9.721 -8.393 0.063 1.00 72.40 H new ATOM 1578 N ASP B 6 12.120 -9.442 0.183 1.00 32.33 N ATOM 1579 CA ASP B 6 12.976 -10.621 0.148 1.00 15.14 C ATOM 1580 C ASP B 6 13.039 -11.288 1.519 1.00 45.34 C ATOM 1581 O ASP B 6 14.073 -11.269 2.183 1.00 51.44 O ATOM 1582 CB ASP B 6 14.384 -10.240 -0.312 1.00 14.25 C ATOM 1583 CG ASP B 6 15.195 -11.444 -0.752 1.00 31.13 C ATOM 1584 OD1 ASP B 6 14.849 -12.045 -1.790 1.00 35.15 O ATOM 1585 OD2 ASP B 6 16.175 -11.786 -0.057 1.00 3.13 O ATOM 0 H ASP B 6 11.411 -9.414 -0.550 1.00 32.33 H new ATOM 0 HA ASP B 6 12.549 -11.330 -0.561 1.00 15.14 H new ATOM 0 HB2 ASP B 6 14.314 -9.531 -1.137 1.00 14.25 H new ATOM 0 HB3 ASP B 6 14.904 -9.733 0.501 1.00 14.25 H new ATOM 1589 N GLU B 7 11.922 -11.879 1.934 1.00 35.12 N ATOM 1590 CA GLU B 7 11.850 -12.553 3.225 1.00 34.25 C ATOM 1591 C GLU B 7 12.018 -14.059 3.065 1.00 52.30 C ATOM 1592 O GLU B 7 13.082 -14.537 2.668 1.00 24.35 O ATOM 1593 CB GLU B 7 10.516 -12.247 3.911 1.00 72.34 C ATOM 1594 CG GLU B 7 9.345 -13.028 3.337 1.00 23.14 C ATOM 1595 CD GLU B 7 9.075 -14.313 4.096 1.00 32.40 C ATOM 1596 OE1 GLU B 7 8.876 -14.243 5.327 1.00 4.40 O ATOM 1597 OE2 GLU B 7 9.060 -15.386 3.459 1.00 41.23 O ATOM 0 H GLU B 7 11.056 -11.904 1.395 1.00 35.12 H new ATOM 0 HA GLU B 7 12.665 -12.180 3.846 1.00 34.25 H new ATOM 0 HB2 GLU B 7 10.604 -12.469 4.974 1.00 72.34 H new ATOM 0 HB3 GLU B 7 10.308 -11.180 3.824 1.00 72.34 H new ATOM 0 HG2 GLU B 7 8.452 -12.404 3.357 1.00 23.14 H new ATOM 0 HG3 GLU B 7 9.547 -13.263 2.292 1.00 23.14 H new TER 1602 GLU B 7