USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 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: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Set 1.1: A 19 LYS NZ :NH3+ -142:sc= -0.0196 (180deg=-0.756) USER MOD Set 1.2: A 91 SER OG : rot -112:sc= -0.166 USER MOD Set 1.3: A 93 TYR OH : rot -171:sc= 1.68 USER MOD Set 2.1: A 85 ASN : amide:sc= 0.524 K(o=1.1,f=-5!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 174:sc= 0.59 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ -118:sc= 0.102 (180deg=0) USER MOD Set 3.2: A 4 GLN : amide:sc= -0.416 X(o=-0.31,f=0) USER MOD Single : A 2 SER OG : rot -63:sc= 0.211 USER MOD Single : A 5 ASN : amide:sc= -0.648 X(o=-0.65,f=-0.66) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0674) USER MOD Single : A 34 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.45) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.962 (180deg=-1.39) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.03) USER MOD Single : A 54 SER OG : rot -160:sc= -1.73 USER MOD Single : A 61 ASN : amide:sc= -1.8 K(o=-1.8,f=-13!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.0017) USER MOD Single : A 80 GLN : amide:sc=-0.00202 X(o=-0.002,f=-0.04) USER MOD Single : A 82 MET CE :methyl -154:sc= -0.318 (180deg=-1.26) USER MOD Single : A 83 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.11) USER MOD Single : A 89 THR OG1 : rot -150:sc= -2.35! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -7.84! C(o=-9.7!,f=-7.8!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0248 F(o=-1.2,f=-0.025) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ 140:sc= 0.021 (180deg=0) USER MOD Single : B 4 MCL O1 : rot 180:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.059 -0.290 9.782 1.00 72.52 N ATOM 2 CA GLY A 1 10.690 0.102 8.434 1.00 74.44 C ATOM 3 C GLY A 1 11.442 -0.679 7.375 1.00 10.23 C ATOM 4 O GLY A 1 12.339 -1.462 7.692 1.00 21.25 O ATOM 0 H1 GLY A 1 10.226 -0.674 10.272 1.00 72.52 H new ATOM 0 H2 GLY A 1 11.802 -1.017 9.741 1.00 72.52 H new ATOM 0 H3 GLY A 1 11.414 0.539 10.300 1.00 72.52 H new ATOM 0 HA2 GLY A 1 9.619 -0.045 8.297 1.00 74.44 H new ATOM 0 HA3 GLY A 1 10.885 1.166 8.303 1.00 74.44 H new ATOM 8 N SER A 2 11.076 -0.470 6.115 1.00 74.11 N ATOM 9 CA SER A 2 11.719 -1.165 5.007 1.00 14.54 C ATOM 10 C SER A 2 11.443 -2.664 5.073 1.00 63.04 C ATOM 11 O SER A 2 11.863 -3.344 6.009 1.00 43.11 O ATOM 12 CB SER A 2 13.228 -0.912 5.025 1.00 12.02 C ATOM 13 OG SER A 2 13.950 -2.118 4.838 1.00 32.33 O ATOM 0 H SER A 2 10.337 0.175 5.836 1.00 74.11 H new ATOM 0 HA SER A 2 11.304 -0.777 4.077 1.00 14.54 H new ATOM 0 HB2 SER A 2 13.490 -0.202 4.240 1.00 12.02 H new ATOM 0 HB3 SER A 2 13.512 -0.458 5.974 1.00 12.02 H new ATOM 0 HG SER A 2 13.768 -2.727 5.584 1.00 32.33 H new ATOM 18 N ALA A 3 10.734 -3.173 4.072 1.00 61.45 N ATOM 19 CA ALA A 3 10.403 -4.592 4.012 1.00 41.11 C ATOM 20 C ALA A 3 9.784 -5.065 5.322 1.00 1.13 C ATOM 21 O ALA A 3 10.301 -5.973 5.971 1.00 4.45 O ATOM 22 CB ALA A 3 11.643 -5.411 3.687 1.00 62.40 C ATOM 0 H ALA A 3 10.377 -2.624 3.290 1.00 61.45 H new ATOM 0 HA ALA A 3 9.669 -4.735 3.219 1.00 41.11 H new ATOM 0 HB1 ALA A 3 11.380 -6.468 3.646 1.00 62.40 H new ATOM 0 HB2 ALA A 3 12.043 -5.098 2.722 1.00 62.40 H new ATOM 0 HB3 ALA A 3 12.395 -5.254 4.460 1.00 62.40 H new ATOM 28 N GLN A 4 8.672 -4.443 5.706 1.00 74.14 N ATOM 29 CA GLN A 4 7.984 -4.800 6.940 1.00 13.12 C ATOM 30 C GLN A 4 6.897 -5.837 6.677 1.00 65.24 C ATOM 31 O GLN A 4 6.113 -5.703 5.739 1.00 61.13 O ATOM 32 CB GLN A 4 7.373 -3.556 7.587 1.00 11.00 C ATOM 33 CG GLN A 4 7.832 -3.327 9.018 1.00 51.22 C ATOM 34 CD GLN A 4 7.094 -2.189 9.692 1.00 30.33 C ATOM 35 OE1 GLN A 4 7.707 -1.275 10.246 1.00 65.24 O ATOM 36 NE2 GLN A 4 5.766 -2.236 9.651 1.00 53.55 N ATOM 0 H GLN A 4 8.230 -3.690 5.179 1.00 74.14 H new ATOM 0 HA GLN A 4 8.716 -5.233 7.622 1.00 13.12 H new ATOM 0 HB2 GLN A 4 7.629 -2.682 6.988 1.00 11.00 H new ATOM 0 HB3 GLN A 4 6.287 -3.645 7.573 1.00 11.00 H new ATOM 0 HG2 GLN A 4 7.685 -4.241 9.593 1.00 51.22 H new ATOM 0 HG3 GLN A 4 8.901 -3.115 9.023 1.00 51.22 H new ATOM 0 HE21 GLN A 4 5.297 -3.011 9.182 1.00 53.55 H new ATOM 0 HE22 GLN A 4 5.216 -1.497 10.089 1.00 53.55 H new ATOM 43 N ASN A 5 6.857 -6.871 7.511 1.00 1.11 N ATOM 44 CA ASN A 5 5.866 -7.931 7.368 1.00 51.35 C ATOM 45 C ASN A 5 4.571 -7.567 8.086 1.00 33.05 C ATOM 46 O ASN A 5 4.567 -7.328 9.294 1.00 12.32 O ATOM 47 CB ASN A 5 6.416 -9.249 7.917 1.00 24.13 C ATOM 48 CG ASN A 5 7.051 -9.084 9.284 1.00 2.32 C ATOM 49 OD1 ASN A 5 8.250 -8.825 9.396 1.00 31.20 O ATOM 50 ND2 ASN A 5 6.250 -9.236 10.332 1.00 63.22 N ATOM 0 H ASN A 5 7.500 -6.997 8.293 1.00 1.11 H new ATOM 0 HA ASN A 5 5.649 -8.050 6.307 1.00 51.35 H new ATOM 0 HB2 ASN A 5 5.609 -9.979 7.980 1.00 24.13 H new ATOM 0 HB3 ASN A 5 7.154 -9.649 7.222 1.00 24.13 H new ATOM 0 HD21 ASN A 5 6.622 -9.139 11.277 1.00 63.22 H new ATOM 0 HD22 ASN A 5 5.263 -9.450 10.192 1.00 63.22 H new ATOM 56 N ILE A 6 3.475 -7.528 7.337 1.00 71.53 N ATOM 57 CA ILE A 6 2.174 -7.196 7.903 1.00 35.32 C ATOM 58 C ILE A 6 1.149 -8.284 7.603 1.00 30.00 C ATOM 59 O ILE A 6 0.894 -8.610 6.443 1.00 33.55 O ATOM 60 CB ILE A 6 1.651 -5.851 7.363 1.00 74.44 C ATOM 61 CG1 ILE A 6 2.599 -4.715 7.758 1.00 64.02 C ATOM 62 CG2 ILE A 6 0.248 -5.580 7.882 1.00 25.11 C ATOM 63 CD1 ILE A 6 2.745 -4.542 9.253 1.00 14.34 C ATOM 0 H ILE A 6 3.462 -7.722 6.336 1.00 71.53 H new ATOM 0 HA ILE A 6 2.311 -7.117 8.981 1.00 35.32 H new ATOM 0 HB ILE A 6 1.610 -5.905 6.275 1.00 74.44 H new ATOM 0 HG12 ILE A 6 3.581 -4.905 7.325 1.00 64.02 H new ATOM 0 HG13 ILE A 6 2.235 -3.783 7.326 1.00 64.02 H new ATOM 0 HG21 ILE A 6 -0.107 -4.626 7.491 1.00 25.11 H new ATOM 0 HG22 ILE A 6 -0.421 -6.377 7.556 1.00 25.11 H new ATOM 0 HG23 ILE A 6 0.264 -5.542 8.971 1.00 25.11 H new ATOM 0 HD11 ILE A 6 3.431 -3.720 9.459 1.00 14.34 H new ATOM 0 HD12 ILE A 6 1.771 -4.321 9.690 1.00 14.34 H new ATOM 0 HD13 ILE A 6 3.138 -5.460 9.689 1.00 14.34 H new ATOM 74 N THR A 7 0.561 -8.842 8.657 1.00 34.00 N ATOM 75 CA THR A 7 -0.439 -9.892 8.506 1.00 13.43 C ATOM 76 C THR A 7 -1.850 -9.318 8.534 1.00 70.30 C ATOM 77 O THR A 7 -2.148 -8.416 9.318 1.00 65.14 O ATOM 78 CB THR A 7 -0.307 -10.954 9.615 1.00 22.42 C ATOM 79 OG1 THR A 7 -0.295 -10.321 10.900 1.00 3.33 O ATOM 80 CG2 THR A 7 0.964 -11.770 9.435 1.00 31.22 C ATOM 0 H THR A 7 0.760 -8.584 9.624 1.00 34.00 H new ATOM 0 HA THR A 7 -0.261 -10.361 7.538 1.00 13.43 H new ATOM 0 HB THR A 7 -1.163 -11.625 9.548 1.00 22.42 H new ATOM 0 HG1 THR A 7 -0.213 -11.002 11.600 1.00 3.33 H new ATOM 0 HG21 THR A 7 1.035 -12.513 10.230 1.00 31.22 H new ATOM 0 HG22 THR A 7 0.939 -12.274 8.469 1.00 31.22 H new ATOM 0 HG23 THR A 7 1.830 -11.109 9.478 1.00 31.22 H new ATOM 88 N ALA A 8 -2.715 -9.846 7.675 1.00 70.20 N ATOM 89 CA ALA A 8 -4.096 -9.387 7.603 1.00 62.21 C ATOM 90 C ALA A 8 -5.031 -10.521 7.195 1.00 25.11 C ATOM 91 O ALA A 8 -4.583 -11.580 6.756 1.00 54.15 O ATOM 92 CB ALA A 8 -4.216 -8.226 6.628 1.00 20.41 C ATOM 0 H ALA A 8 -2.484 -10.592 7.019 1.00 70.20 H new ATOM 0 HA ALA A 8 -4.392 -9.046 8.595 1.00 62.21 H new ATOM 0 HB1 ALA A 8 -5.253 -7.893 6.584 1.00 20.41 H new ATOM 0 HB2 ALA A 8 -3.585 -7.403 6.963 1.00 20.41 H new ATOM 0 HB3 ALA A 8 -3.896 -8.549 5.637 1.00 20.41 H new ATOM 98 N ARG A 9 -6.332 -10.292 7.345 1.00 52.33 N ATOM 99 CA ARG A 9 -7.330 -11.296 6.995 1.00 74.24 C ATOM 100 C ARG A 9 -8.285 -10.764 5.931 1.00 71.35 C ATOM 101 O ARG A 9 -8.560 -9.564 5.872 1.00 51.42 O ATOM 102 CB ARG A 9 -8.116 -11.720 8.235 1.00 30.42 C ATOM 103 CG ARG A 9 -7.768 -13.112 8.731 1.00 15.23 C ATOM 104 CD ARG A 9 -7.087 -13.066 10.091 1.00 51.45 C ATOM 105 NE ARG A 9 -7.097 -14.368 10.753 1.00 60.42 N ATOM 106 CZ ARG A 9 -6.316 -15.381 10.395 1.00 35.42 C ATOM 107 NH1 ARG A 9 -5.466 -15.244 9.388 1.00 75.53 N ATOM 108 NH2 ARG A 9 -6.383 -16.535 11.047 1.00 43.14 N ATOM 0 H ARG A 9 -6.719 -9.420 7.706 1.00 52.33 H new ATOM 0 HA ARG A 9 -6.809 -12.164 6.591 1.00 74.24 H new ATOM 0 HB2 ARG A 9 -7.932 -11.002 9.034 1.00 30.42 H new ATOM 0 HB3 ARG A 9 -9.182 -11.680 8.010 1.00 30.42 H new ATOM 0 HG2 ARG A 9 -8.675 -13.713 8.797 1.00 15.23 H new ATOM 0 HG3 ARG A 9 -7.113 -13.602 8.011 1.00 15.23 H new ATOM 0 HD2 ARG A 9 -6.058 -12.729 9.970 1.00 51.45 H new ATOM 0 HD3 ARG A 9 -7.589 -12.334 10.723 1.00 51.45 H new ATOM 0 HE ARG A 9 -7.739 -14.507 11.533 1.00 60.42 H new ATOM 0 HH11 ARG A 9 -5.410 -14.358 8.885 1.00 75.53 H new ATOM 0 HH12 ARG A 9 -4.868 -16.024 9.116 1.00 75.53 H new ATOM 0 HH21 ARG A 9 -7.035 -16.645 11.824 1.00 43.14 H new ATOM 0 HH22 ARG A 9 -5.783 -17.312 10.771 1.00 43.14 H new ATOM 119 N ILE A 10 -8.787 -11.663 5.090 1.00 0.24 N ATOM 120 CA ILE A 10 -9.712 -11.284 4.029 1.00 74.01 C ATOM 121 C ILE A 10 -10.889 -10.487 4.583 1.00 14.44 C ATOM 122 O ILE A 10 -11.633 -10.973 5.434 1.00 21.12 O ATOM 123 CB ILE A 10 -10.249 -12.520 3.282 1.00 32.20 C ATOM 124 CG1 ILE A 10 -9.090 -13.334 2.700 1.00 34.53 C ATOM 125 CG2 ILE A 10 -11.211 -12.097 2.183 1.00 52.13 C ATOM 126 CD1 ILE A 10 -9.449 -14.776 2.417 1.00 34.30 C ATOM 0 H ILE A 10 -8.568 -12.659 5.123 1.00 0.24 H new ATOM 0 HA ILE A 10 -9.152 -10.662 3.330 1.00 74.01 H new ATOM 0 HB ILE A 10 -10.790 -13.148 3.989 1.00 32.20 H new ATOM 0 HG12 ILE A 10 -8.754 -12.863 1.776 1.00 34.53 H new ATOM 0 HG13 ILE A 10 -8.251 -13.306 3.396 1.00 34.53 H new ATOM 0 HG21 ILE A 10 -11.582 -12.981 1.664 1.00 52.13 H new ATOM 0 HG22 ILE A 10 -12.049 -11.555 2.622 1.00 52.13 H new ATOM 0 HG23 ILE A 10 -10.693 -11.451 1.474 1.00 52.13 H new ATOM 0 HD11 ILE A 10 -8.582 -15.293 2.007 1.00 34.30 H new ATOM 0 HD12 ILE A 10 -9.757 -15.263 3.342 1.00 34.30 H new ATOM 0 HD13 ILE A 10 -10.267 -14.813 1.698 1.00 34.30 H new ATOM 137 N GLY A 11 -11.050 -9.263 4.094 1.00 61.03 N ATOM 138 CA GLY A 11 -12.139 -8.418 4.551 1.00 41.41 C ATOM 139 C GLY A 11 -11.771 -7.611 5.780 1.00 43.00 C ATOM 140 O GLY A 11 -12.636 -7.015 6.420 1.00 44.43 O ATOM 0 H GLY A 11 -10.446 -8.840 3.389 1.00 61.03 H new ATOM 0 HA2 GLY A 11 -12.430 -7.740 3.749 1.00 41.41 H new ATOM 0 HA3 GLY A 11 -13.007 -9.038 4.774 1.00 41.41 H new ATOM 144 N GLU A 12 -10.484 -7.595 6.112 1.00 52.01 N ATOM 145 CA GLU A 12 -10.005 -6.857 7.275 1.00 60.25 C ATOM 146 C GLU A 12 -9.340 -5.549 6.854 1.00 4.40 C ATOM 147 O GLU A 12 -8.587 -5.492 5.881 1.00 24.44 O ATOM 148 CB GLU A 12 -9.018 -7.709 8.076 1.00 33.41 C ATOM 149 CG GLU A 12 -9.630 -8.978 8.642 1.00 2.33 C ATOM 150 CD GLU A 12 -11.005 -8.747 9.240 1.00 75.41 C ATOM 151 OE1 GLU A 12 -11.144 -7.829 10.074 1.00 72.33 O ATOM 152 OE2 GLU A 12 -11.943 -9.486 8.872 1.00 53.12 O ATOM 0 H GLU A 12 -9.755 -8.084 5.593 1.00 52.01 H new ATOM 0 HA GLU A 12 -10.864 -6.622 7.903 1.00 60.25 H new ATOM 0 HB2 GLU A 12 -8.178 -7.975 7.435 1.00 33.41 H new ATOM 0 HB3 GLU A 12 -8.617 -7.112 8.895 1.00 33.41 H new ATOM 0 HG2 GLU A 12 -9.703 -9.726 7.852 1.00 2.33 H new ATOM 0 HG3 GLU A 12 -8.969 -9.386 9.407 1.00 2.33 H new ATOM 157 N PRO A 13 -9.623 -4.474 7.603 1.00 22.42 N ATOM 158 CA PRO A 13 -9.063 -3.147 7.328 1.00 63.00 C ATOM 159 C PRO A 13 -7.568 -3.078 7.618 1.00 1.14 C ATOM 160 O PRO A 13 -7.082 -3.683 8.575 1.00 74.23 O ATOM 161 CB PRO A 13 -9.836 -2.232 8.280 1.00 31.32 C ATOM 162 CG PRO A 13 -10.266 -3.120 9.395 1.00 65.33 C ATOM 163 CD PRO A 13 -10.510 -4.471 8.778 1.00 24.45 C ATOM 0 HA PRO A 13 -9.161 -2.872 6.278 1.00 63.00 H new ATOM 0 HB2 PRO A 13 -9.209 -1.417 8.642 1.00 31.32 H new ATOM 0 HB3 PRO A 13 -10.693 -1.778 7.783 1.00 31.32 H new ATOM 0 HG2 PRO A 13 -9.499 -3.176 10.167 1.00 65.33 H new ATOM 0 HG3 PRO A 13 -11.170 -2.739 9.871 1.00 65.33 H new ATOM 0 HD2 PRO A 13 -10.265 -5.278 9.468 1.00 24.45 H new ATOM 0 HD3 PRO A 13 -11.554 -4.600 8.494 1.00 24.45 H new ATOM 168 N LEU A 14 -6.844 -2.335 6.789 1.00 40.45 N ATOM 169 CA LEU A 14 -5.402 -2.186 6.956 1.00 1.32 C ATOM 170 C LEU A 14 -4.948 -0.791 6.538 1.00 54.22 C ATOM 171 O LEU A 14 -5.462 -0.220 5.577 1.00 43.51 O ATOM 172 CB LEU A 14 -4.660 -3.243 6.137 1.00 44.14 C ATOM 173 CG LEU A 14 -3.153 -3.039 5.983 1.00 34.35 C ATOM 174 CD1 LEU A 14 -2.449 -3.239 7.317 1.00 72.51 C ATOM 175 CD2 LEU A 14 -2.590 -3.986 4.934 1.00 11.25 C ATOM 0 H LEU A 14 -7.231 -1.826 5.994 1.00 40.45 H new ATOM 0 HA LEU A 14 -5.167 -2.324 8.011 1.00 1.32 H new ATOM 0 HB2 LEU A 14 -4.829 -4.216 6.599 1.00 44.14 H new ATOM 0 HB3 LEU A 14 -5.104 -3.281 5.142 1.00 44.14 H new ATOM 0 HG LEU A 14 -2.976 -2.016 5.651 1.00 34.35 H new ATOM 0 HD11 LEU A 14 -1.377 -3.090 7.189 1.00 72.51 H new ATOM 0 HD12 LEU A 14 -2.831 -2.520 8.041 1.00 72.51 H new ATOM 0 HD13 LEU A 14 -2.634 -4.251 7.678 1.00 72.51 H new ATOM 0 HD21 LEU A 14 -1.516 -3.826 4.838 1.00 11.25 H new ATOM 0 HD22 LEU A 14 -2.778 -5.016 5.236 1.00 11.25 H new ATOM 0 HD23 LEU A 14 -3.072 -3.795 3.975 1.00 11.25 H new ATOM 186 N VAL A 15 -3.977 -0.248 7.266 1.00 13.54 N ATOM 187 CA VAL A 15 -3.450 1.078 6.969 1.00 31.41 C ATOM 188 C VAL A 15 -1.930 1.052 6.846 1.00 22.35 C ATOM 189 O VAL A 15 -1.255 0.278 7.527 1.00 50.42 O ATOM 190 CB VAL A 15 -3.847 2.096 8.055 1.00 12.25 C ATOM 191 CG1 VAL A 15 -3.352 3.488 7.689 1.00 32.14 C ATOM 192 CG2 VAL A 15 -5.354 2.095 8.260 1.00 63.51 C ATOM 0 H VAL A 15 -3.540 -0.706 8.065 1.00 13.54 H new ATOM 0 HA VAL A 15 -3.884 1.384 6.017 1.00 31.41 H new ATOM 0 HB VAL A 15 -3.375 1.803 8.993 1.00 12.25 H new ATOM 0 HG11 VAL A 15 -3.642 4.194 8.468 1.00 32.14 H new ATOM 0 HG12 VAL A 15 -2.266 3.475 7.597 1.00 32.14 H new ATOM 0 HG13 VAL A 15 -3.793 3.793 6.740 1.00 32.14 H new ATOM 0 HG21 VAL A 15 -5.617 2.820 9.031 1.00 63.51 H new ATOM 0 HG22 VAL A 15 -5.848 2.363 7.326 1.00 63.51 H new ATOM 0 HG23 VAL A 15 -5.678 1.102 8.570 1.00 63.51 H new ATOM 202 N LEU A 16 -1.398 1.901 5.974 1.00 51.45 N ATOM 203 CA LEU A 16 0.044 1.974 5.762 1.00 21.51 C ATOM 204 C LEU A 16 0.521 3.424 5.764 1.00 22.02 C ATOM 205 O LEU A 16 -0.197 4.325 5.332 1.00 75.51 O ATOM 206 CB LEU A 16 0.419 1.304 4.439 1.00 22.04 C ATOM 207 CG LEU A 16 0.002 -0.158 4.286 1.00 2.01 C ATOM 208 CD1 LEU A 16 -0.241 -0.495 2.823 1.00 73.54 C ATOM 209 CD2 LEU A 16 1.061 -1.080 4.877 1.00 63.24 C ATOM 0 H LEU A 16 -1.942 2.548 5.403 1.00 51.45 H new ATOM 0 HA LEU A 16 0.535 1.448 6.581 1.00 21.51 H new ATOM 0 HB2 LEU A 16 -0.028 1.876 3.626 1.00 22.04 H new ATOM 0 HB3 LEU A 16 1.500 1.367 4.316 1.00 22.04 H new ATOM 0 HG LEU A 16 -0.929 -0.308 4.832 1.00 2.01 H new ATOM 0 HD11 LEU A 16 -0.537 -1.540 2.735 1.00 73.54 H new ATOM 0 HD12 LEU A 16 -1.034 0.141 2.430 1.00 73.54 H new ATOM 0 HD13 LEU A 16 0.674 -0.328 2.254 1.00 73.54 H new ATOM 0 HD21 LEU A 16 0.747 -2.117 4.759 1.00 63.24 H new ATOM 0 HD22 LEU A 16 2.008 -0.926 4.359 1.00 63.24 H new ATOM 0 HD23 LEU A 16 1.187 -0.857 5.937 1.00 63.24 H new ATOM 220 N LYS A 17 1.738 3.639 6.251 1.00 32.54 N ATOM 221 CA LYS A 17 2.314 4.978 6.307 1.00 44.15 C ATOM 222 C LYS A 17 3.513 5.093 5.373 1.00 33.22 C ATOM 223 O LYS A 17 4.186 4.102 5.083 1.00 65.32 O ATOM 224 CB LYS A 17 2.734 5.315 7.739 1.00 53.54 C ATOM 225 CG LYS A 17 3.181 6.756 7.919 1.00 32.43 C ATOM 226 CD LYS A 17 3.118 7.182 9.376 1.00 4.34 C ATOM 227 CE LYS A 17 1.704 7.566 9.784 1.00 44.41 C ATOM 228 NZ LYS A 17 1.541 7.588 11.264 1.00 72.25 N ATOM 0 H LYS A 17 2.345 2.903 6.613 1.00 32.54 H new ATOM 0 HA LYS A 17 1.554 5.688 5.982 1.00 44.15 H new ATOM 0 HB2 LYS A 17 1.898 5.116 8.410 1.00 53.54 H new ATOM 0 HB3 LYS A 17 3.546 4.652 8.036 1.00 53.54 H new ATOM 0 HG2 LYS A 17 4.200 6.871 7.549 1.00 32.43 H new ATOM 0 HG3 LYS A 17 2.549 7.411 7.320 1.00 32.43 H new ATOM 0 HD2 LYS A 17 3.472 6.369 10.010 1.00 4.34 H new ATOM 0 HD3 LYS A 17 3.787 8.027 9.538 1.00 4.34 H new ATOM 0 HE2 LYS A 17 1.463 8.548 9.377 1.00 44.41 H new ATOM 0 HE3 LYS A 17 0.996 6.859 9.351 1.00 44.41 H new ATOM 0 HZ1 LYS A 17 0.564 7.854 11.502 1.00 72.25 H new ATOM 0 HZ2 LYS A 17 1.747 6.644 11.650 1.00 72.25 H new ATOM 0 HZ3 LYS A 17 2.198 8.281 11.675 1.00 72.25 H new ATOM 238 N CYS A 18 3.778 6.309 4.906 1.00 54.23 N ATOM 239 CA CYS A 18 4.899 6.555 4.005 1.00 2.43 C ATOM 240 C CYS A 18 6.040 7.255 4.735 1.00 72.23 C ATOM 241 O CYS A 18 5.997 8.465 4.962 1.00 40.02 O ATOM 242 CB CYS A 18 4.446 7.400 2.813 1.00 44.45 C ATOM 243 SG CYS A 18 5.571 7.331 1.382 1.00 71.20 S ATOM 0 H CYS A 18 3.232 7.139 5.136 1.00 54.23 H new ATOM 0 HA CYS A 18 5.260 5.592 3.643 1.00 2.43 H new ATOM 0 HB2 CYS A 18 3.457 7.067 2.500 1.00 44.45 H new ATOM 0 HB3 CYS A 18 4.346 8.437 3.133 1.00 44.45 H new ATOM 247 N LYS A 19 7.062 6.489 5.100 1.00 40.14 N ATOM 248 CA LYS A 19 8.217 7.034 5.803 1.00 33.01 C ATOM 249 C LYS A 19 8.813 8.211 5.037 1.00 60.12 C ATOM 250 O LYS A 19 9.176 8.085 3.869 1.00 64.14 O ATOM 251 CB LYS A 19 9.279 5.951 6.000 1.00 45.45 C ATOM 252 CG LYS A 19 9.179 5.237 7.337 1.00 61.32 C ATOM 253 CD LYS A 19 7.977 4.308 7.385 1.00 23.34 C ATOM 254 CE LYS A 19 7.369 4.256 8.778 1.00 2.52 C ATOM 255 NZ LYS A 19 5.963 3.764 8.751 1.00 51.00 N ATOM 0 H LYS A 19 7.114 5.486 4.920 1.00 40.14 H new ATOM 0 HA LYS A 19 7.883 7.388 6.778 1.00 33.01 H new ATOM 0 HB2 LYS A 19 9.191 5.218 5.198 1.00 45.45 H new ATOM 0 HB3 LYS A 19 10.267 6.403 5.912 1.00 45.45 H new ATOM 0 HG2 LYS A 19 10.090 4.665 7.514 1.00 61.32 H new ATOM 0 HG3 LYS A 19 9.104 5.972 8.138 1.00 61.32 H new ATOM 0 HD2 LYS A 19 7.226 4.646 6.671 1.00 23.34 H new ATOM 0 HD3 LYS A 19 8.278 3.306 7.080 1.00 23.34 H new ATOM 0 HE2 LYS A 19 7.970 3.604 9.413 1.00 2.52 H new ATOM 0 HE3 LYS A 19 7.398 5.250 9.224 1.00 2.52 H new ATOM 0 HZ1 LYS A 19 5.398 4.290 9.448 1.00 51.00 H new ATOM 0 HZ2 LYS A 19 5.563 3.907 7.802 1.00 51.00 H new ATOM 0 HZ3 LYS A 19 5.945 2.751 8.985 1.00 51.00 H new ATOM 265 N GLY A 20 8.912 9.357 5.705 1.00 20.44 N ATOM 266 CA GLY A 20 9.465 10.540 5.073 1.00 52.21 C ATOM 267 C GLY A 20 8.522 11.724 5.131 1.00 20.54 C ATOM 268 O GLY A 20 8.947 12.855 5.371 1.00 63.05 O ATOM 0 H GLY A 20 8.619 9.487 6.673 1.00 20.44 H new ATOM 0 HA2 GLY A 20 10.404 10.803 5.561 1.00 52.21 H new ATOM 0 HA3 GLY A 20 9.698 10.316 4.032 1.00 52.21 H new ATOM 272 N ALA A 21 7.236 11.467 4.912 1.00 35.14 N ATOM 273 CA ALA A 21 6.231 12.521 4.942 1.00 63.51 C ATOM 274 C ALA A 21 5.640 12.677 6.339 1.00 61.43 C ATOM 275 O ALA A 21 5.204 11.712 6.966 1.00 74.20 O ATOM 276 CB ALA A 21 5.131 12.230 3.931 1.00 62.25 C ATOM 0 H ALA A 21 6.867 10.538 4.712 1.00 35.14 H new ATOM 0 HA ALA A 21 6.717 13.460 4.675 1.00 63.51 H new ATOM 0 HB1 ALA A 21 4.387 13.026 3.964 1.00 62.25 H new ATOM 0 HB2 ALA A 21 5.561 12.177 2.931 1.00 62.25 H new ATOM 0 HB3 ALA A 21 4.657 11.279 4.173 1.00 62.25 H new ATOM 282 N PRO A 22 5.623 13.922 6.840 1.00 15.41 N ATOM 283 CA PRO A 22 5.089 14.233 8.169 1.00 11.52 C ATOM 284 C PRO A 22 3.573 14.082 8.234 1.00 30.22 C ATOM 285 O PRO A 22 2.962 13.469 7.358 1.00 62.52 O ATOM 286 CB PRO A 22 5.491 15.695 8.379 1.00 2.41 C ATOM 287 CG PRO A 22 5.628 16.250 7.005 1.00 34.20 C ATOM 288 CD PRO A 22 6.126 15.120 6.148 1.00 73.20 C ATOM 0 HA PRO A 22 5.475 13.557 8.932 1.00 11.52 H new ATOM 0 HB2 PRO A 22 4.736 16.235 8.951 1.00 2.41 H new ATOM 0 HB3 PRO A 22 6.427 15.773 8.933 1.00 2.41 H new ATOM 0 HG2 PRO A 22 4.672 16.625 6.639 1.00 34.20 H new ATOM 0 HG3 PRO A 22 6.326 17.087 6.990 1.00 34.20 H new ATOM 0 HD2 PRO A 22 5.742 15.188 5.130 1.00 73.20 H new ATOM 0 HD3 PRO A 22 7.214 15.117 6.078 1.00 73.20 H new ATOM 293 N LYS A 23 2.972 14.644 9.276 1.00 22.53 N ATOM 294 CA LYS A 23 1.525 14.574 9.455 1.00 51.04 C ATOM 295 C LYS A 23 0.800 14.978 8.175 1.00 23.34 C ATOM 296 O LYS A 23 -0.124 14.296 7.732 1.00 32.41 O ATOM 297 CB LYS A 23 1.089 15.479 10.609 1.00 54.02 C ATOM 298 CG LYS A 23 1.763 16.840 10.603 1.00 34.22 C ATOM 299 CD LYS A 23 2.513 17.098 11.900 1.00 51.00 C ATOM 300 CE LYS A 23 1.567 17.504 13.020 1.00 40.33 C ATOM 301 NZ LYS A 23 2.294 18.126 14.161 1.00 43.30 N ATOM 0 H LYS A 23 3.463 15.153 10.010 1.00 22.53 H new ATOM 0 HA LYS A 23 1.262 13.543 9.691 1.00 51.04 H new ATOM 0 HB2 LYS A 23 0.009 15.618 10.563 1.00 54.02 H new ATOM 0 HB3 LYS A 23 1.306 14.980 11.553 1.00 54.02 H new ATOM 0 HG2 LYS A 23 2.455 16.900 9.763 1.00 34.22 H new ATOM 0 HG3 LYS A 23 1.013 17.617 10.454 1.00 34.22 H new ATOM 0 HD2 LYS A 23 3.059 16.200 12.191 1.00 51.00 H new ATOM 0 HD3 LYS A 23 3.252 17.884 11.744 1.00 51.00 H new ATOM 0 HE2 LYS A 23 0.828 18.206 12.634 1.00 40.33 H new ATOM 0 HE3 LYS A 23 1.022 16.628 13.371 1.00 40.33 H new ATOM 0 HZ1 LYS A 23 1.615 18.389 14.904 1.00 43.30 H new ATOM 0 HZ2 LYS A 23 2.982 17.448 14.545 1.00 43.30 H new ATOM 0 HZ3 LYS A 23 2.794 18.977 13.832 1.00 43.30 H new ATOM 311 N LYS A 24 1.222 16.092 7.587 1.00 10.21 N ATOM 312 CA LYS A 24 0.615 16.586 6.357 1.00 0.41 C ATOM 313 C LYS A 24 1.532 16.346 5.162 1.00 14.44 C ATOM 314 O LYS A 24 2.749 16.213 5.300 1.00 41.31 O ATOM 315 CB LYS A 24 0.301 18.079 6.482 1.00 12.22 C ATOM 316 CG LYS A 24 1.454 18.978 6.073 1.00 14.14 C ATOM 317 CD LYS A 24 2.655 18.798 6.987 1.00 50.33 C ATOM 318 CE LYS A 24 3.455 20.084 7.117 1.00 51.30 C ATOM 319 NZ LYS A 24 4.750 19.864 7.818 1.00 53.11 N ATOM 0 H LYS A 24 1.983 16.670 7.943 1.00 10.21 H new ATOM 0 HA LYS A 24 -0.313 16.038 6.195 1.00 0.41 H new ATOM 0 HB2 LYS A 24 -0.567 18.312 5.866 1.00 12.22 H new ATOM 0 HB3 LYS A 24 0.028 18.299 7.514 1.00 12.22 H new ATOM 0 HG2 LYS A 24 1.742 18.757 5.045 1.00 14.14 H new ATOM 0 HG3 LYS A 24 1.131 20.019 6.097 1.00 14.14 H new ATOM 0 HD2 LYS A 24 2.318 18.477 7.973 1.00 50.33 H new ATOM 0 HD3 LYS A 24 3.296 18.008 6.596 1.00 50.33 H new ATOM 0 HE2 LYS A 24 3.644 20.496 6.126 1.00 51.30 H new ATOM 0 HE3 LYS A 24 2.868 20.823 7.662 1.00 51.30 H new ATOM 0 HZ1 LYS A 24 5.265 20.765 7.886 1.00 53.11 H new ATOM 0 HZ2 LYS A 24 4.569 19.495 8.773 1.00 53.11 H new ATOM 0 HZ3 LYS A 24 5.321 19.178 7.285 1.00 53.11 H new ATOM 329 N PRO A 25 0.939 16.294 3.961 1.00 43.51 N ATOM 330 CA PRO A 25 1.686 16.072 2.718 1.00 72.21 C ATOM 331 C PRO A 25 2.555 17.268 2.344 1.00 14.52 C ATOM 332 O PRO A 25 2.064 18.327 1.954 1.00 22.31 O ATOM 333 CB PRO A 25 0.585 15.866 1.675 1.00 52.34 C ATOM 334 CG PRO A 25 -0.600 16.582 2.227 1.00 3.40 C ATOM 335 CD PRO A 25 -0.505 16.445 3.722 1.00 24.33 C ATOM 0 HA PRO A 25 2.376 15.233 2.801 1.00 72.21 H new ATOM 0 HB2 PRO A 25 0.877 16.272 0.706 1.00 52.34 H new ATOM 0 HB3 PRO A 25 0.374 14.807 1.526 1.00 52.34 H new ATOM 0 HG2 PRO A 25 -0.596 17.631 1.930 1.00 3.40 H new ATOM 0 HG3 PRO A 25 -1.527 16.148 1.853 1.00 3.40 H new ATOM 0 HD2 PRO A 25 -0.907 17.321 4.232 1.00 24.33 H new ATOM 0 HD3 PRO A 25 -1.064 15.582 4.082 1.00 24.33 H new ATOM 340 N PRO A 26 3.880 17.098 2.465 1.00 1.41 N ATOM 341 CA PRO A 26 4.847 18.153 2.145 1.00 42.01 C ATOM 342 C PRO A 26 4.921 18.434 0.647 1.00 53.33 C ATOM 343 O PRO A 26 4.244 19.327 0.142 1.00 51.00 O ATOM 344 CB PRO A 26 6.175 17.581 2.648 1.00 70.32 C ATOM 345 CG PRO A 26 5.989 16.103 2.616 1.00 23.42 C ATOM 346 CD PRO A 26 4.538 15.862 2.925 1.00 2.23 C ATOM 0 HA PRO A 26 4.578 19.106 2.601 1.00 42.01 H new ATOM 0 HB2 PRO A 26 7.005 17.889 2.012 1.00 70.32 H new ATOM 0 HB3 PRO A 26 6.400 17.930 3.656 1.00 70.32 H new ATOM 0 HG2 PRO A 26 6.253 15.698 1.639 1.00 23.42 H new ATOM 0 HG3 PRO A 26 6.631 15.613 3.348 1.00 23.42 H new ATOM 0 HD2 PRO A 26 4.156 14.985 2.402 1.00 2.23 H new ATOM 0 HD3 PRO A 26 4.377 15.693 3.990 1.00 2.23 H new ATOM 351 N GLN A 27 5.749 17.666 -0.053 1.00 43.54 N ATOM 352 CA GLN A 27 5.911 17.834 -1.493 1.00 43.03 C ATOM 353 C GLN A 27 5.161 16.748 -2.256 1.00 45.52 C ATOM 354 O GLN A 27 4.478 15.915 -1.660 1.00 12.22 O ATOM 355 CB GLN A 27 7.394 17.804 -1.867 1.00 1.03 C ATOM 356 CG GLN A 27 8.143 19.070 -1.483 1.00 12.34 C ATOM 357 CD GLN A 27 7.610 20.301 -2.185 1.00 31.43 C ATOM 358 OE1 GLN A 27 7.488 20.328 -3.411 1.00 30.24 O ATOM 359 NE2 GLN A 27 7.286 21.332 -1.412 1.00 15.11 N ATOM 0 H GLN A 27 6.317 16.922 0.352 1.00 43.54 H new ATOM 0 HA GLN A 27 5.492 18.802 -1.770 1.00 43.03 H new ATOM 0 HB2 GLN A 27 7.866 16.951 -1.380 1.00 1.03 H new ATOM 0 HB3 GLN A 27 7.486 17.649 -2.942 1.00 1.03 H new ATOM 0 HG2 GLN A 27 8.075 19.214 -0.405 1.00 12.34 H new ATOM 0 HG3 GLN A 27 9.199 18.949 -1.723 1.00 12.34 H new ATOM 0 HE21 GLN A 27 7.403 21.268 -0.401 1.00 15.11 H new ATOM 0 HE22 GLN A 27 6.921 22.188 -1.830 1.00 15.11 H new ATOM 366 N ARG A 28 5.290 16.763 -3.579 1.00 1.11 N ATOM 367 CA ARG A 28 4.622 15.781 -4.424 1.00 22.31 C ATOM 368 C ARG A 28 5.136 14.374 -4.131 1.00 14.31 C ATOM 369 O ARG A 28 6.343 14.151 -4.031 1.00 22.02 O ATOM 370 CB ARG A 28 4.836 16.117 -5.901 1.00 11.42 C ATOM 371 CG ARG A 28 3.932 17.227 -6.410 1.00 61.11 C ATOM 372 CD ARG A 28 4.073 17.415 -7.912 1.00 22.35 C ATOM 373 NE ARG A 28 3.776 16.190 -8.648 1.00 65.22 N ATOM 374 CZ ARG A 28 2.547 15.712 -8.814 1.00 40.34 C ATOM 375 NH1 ARG A 28 1.508 16.354 -8.300 1.00 62.02 N ATOM 376 NH2 ARG A 28 2.357 14.590 -9.497 1.00 75.21 N ATOM 0 H ARG A 28 5.852 17.445 -4.089 1.00 1.11 H new ATOM 0 HA ARG A 28 3.555 15.813 -4.203 1.00 22.31 H new ATOM 0 HB2 ARG A 28 5.875 16.409 -6.052 1.00 11.42 H new ATOM 0 HB3 ARG A 28 4.667 15.220 -6.497 1.00 11.42 H new ATOM 0 HG2 ARG A 28 2.895 16.994 -6.167 1.00 61.11 H new ATOM 0 HG3 ARG A 28 4.177 18.159 -5.901 1.00 61.11 H new ATOM 0 HD2 ARG A 28 3.402 18.208 -8.242 1.00 22.35 H new ATOM 0 HD3 ARG A 28 5.088 17.739 -8.143 1.00 22.35 H new ATOM 0 HE ARG A 28 4.554 15.673 -9.057 1.00 65.22 H new ATOM 0 HH11 ARG A 28 1.650 17.217 -7.776 1.00 62.02 H new ATOM 0 HH12 ARG A 28 0.566 15.985 -8.429 1.00 62.02 H new ATOM 0 HH21 ARG A 28 3.154 14.094 -9.895 1.00 75.21 H new ATOM 0 HH22 ARG A 28 1.414 14.224 -9.624 1.00 75.21 H new ATOM 387 N LEU A 29 4.212 13.429 -3.995 1.00 22.11 N ATOM 388 CA LEU A 29 4.571 12.044 -3.712 1.00 64.15 C ATOM 389 C LEU A 29 3.767 11.085 -4.586 1.00 54.14 C ATOM 390 O LEU A 29 2.764 11.470 -5.185 1.00 4.04 O ATOM 391 CB LEU A 29 4.337 11.724 -2.236 1.00 62.50 C ATOM 392 CG LEU A 29 2.996 12.177 -1.657 1.00 34.42 C ATOM 393 CD1 LEU A 29 1.870 11.282 -2.150 1.00 42.20 C ATOM 394 CD2 LEU A 29 3.046 12.184 -0.137 1.00 11.34 C ATOM 0 H LEU A 29 3.209 13.597 -4.076 1.00 22.11 H new ATOM 0 HA LEU A 29 5.629 11.916 -3.940 1.00 64.15 H new ATOM 0 HB2 LEU A 29 4.423 10.646 -2.100 1.00 62.50 H new ATOM 0 HB3 LEU A 29 5.136 12.184 -1.654 1.00 62.50 H new ATOM 0 HG LEU A 29 2.801 13.193 -1.999 1.00 34.42 H new ATOM 0 HD11 LEU A 29 0.924 11.621 -1.727 1.00 42.20 H new ATOM 0 HD12 LEU A 29 1.818 11.328 -3.238 1.00 42.20 H new ATOM 0 HD13 LEU A 29 2.059 10.255 -1.839 1.00 42.20 H new ATOM 0 HD21 LEU A 29 2.083 12.509 0.257 1.00 11.34 H new ATOM 0 HD22 LEU A 29 3.266 11.179 0.224 1.00 11.34 H new ATOM 0 HD23 LEU A 29 3.825 12.869 0.198 1.00 11.34 H new ATOM 405 N GLU A 30 4.216 9.834 -4.652 1.00 70.45 N ATOM 406 CA GLU A 30 3.537 8.821 -5.450 1.00 63.12 C ATOM 407 C GLU A 30 3.375 7.525 -4.661 1.00 51.11 C ATOM 408 O GLU A 30 4.224 7.175 -3.842 1.00 32.11 O ATOM 409 CB GLU A 30 4.314 8.553 -6.740 1.00 41.25 C ATOM 410 CG GLU A 30 3.731 7.426 -7.578 1.00 40.31 C ATOM 411 CD GLU A 30 4.230 7.445 -9.010 1.00 14.13 C ATOM 412 OE1 GLU A 30 5.150 8.237 -9.306 1.00 63.21 O ATOM 413 OE2 GLU A 30 3.703 6.668 -9.834 1.00 32.34 O ATOM 0 H GLU A 30 5.046 9.499 -4.163 1.00 70.45 H new ATOM 0 HA GLU A 30 2.546 9.197 -5.703 1.00 63.12 H new ATOM 0 HB2 GLU A 30 4.336 9.465 -7.337 1.00 41.25 H new ATOM 0 HB3 GLU A 30 5.347 8.311 -6.489 1.00 41.25 H new ATOM 0 HG2 GLU A 30 3.986 6.470 -7.121 1.00 40.31 H new ATOM 0 HG3 GLU A 30 2.644 7.501 -7.575 1.00 40.31 H new ATOM 418 N TRP A 31 2.280 6.819 -4.915 1.00 52.13 N ATOM 419 CA TRP A 31 2.005 5.562 -4.227 1.00 44.44 C ATOM 420 C TRP A 31 1.853 4.418 -5.225 1.00 72.25 C ATOM 421 O TRP A 31 1.214 4.571 -6.268 1.00 13.04 O ATOM 422 CB TRP A 31 0.740 5.686 -3.378 1.00 63.23 C ATOM 423 CG TRP A 31 1.011 6.106 -1.966 1.00 32.22 C ATOM 424 CD1 TRP A 31 1.332 7.360 -1.531 1.00 0.44 C ATOM 425 CD2 TRP A 31 0.987 5.269 -0.803 1.00 74.24 C ATOM 426 NE1 TRP A 31 1.509 7.354 -0.169 1.00 32.21 N ATOM 427 CE2 TRP A 31 1.303 6.084 0.302 1.00 70.24 C ATOM 428 CE3 TRP A 31 0.729 3.913 -0.589 1.00 74.32 C ATOM 429 CZ2 TRP A 31 1.367 5.585 1.599 1.00 30.41 C ATOM 430 CZ3 TRP A 31 0.793 3.419 0.700 1.00 41.01 C ATOM 431 CH2 TRP A 31 1.108 4.253 1.781 1.00 54.23 C ATOM 0 H TRP A 31 1.568 7.094 -5.592 1.00 52.13 H new ATOM 0 HA TRP A 31 2.850 5.341 -3.575 1.00 44.44 H new ATOM 0 HB2 TRP A 31 0.069 6.409 -3.842 1.00 63.23 H new ATOM 0 HB3 TRP A 31 0.220 4.728 -3.371 1.00 63.23 H new ATOM 0 HD1 TRP A 31 1.432 8.229 -2.165 1.00 0.44 H new ATOM 0 HE1 TRP A 31 1.754 8.164 0.400 1.00 32.21 H new ATOM 0 HE3 TRP A 31 0.484 3.263 -1.416 1.00 74.32 H new ATOM 0 HZ2 TRP A 31 1.612 6.226 2.433 1.00 30.41 H new ATOM 0 HZ3 TRP A 31 0.597 2.372 0.877 1.00 41.01 H new ATOM 0 HH2 TRP A 31 1.147 3.837 2.777 1.00 54.23 H new ATOM 441 N LYS A 32 2.442 3.272 -4.900 1.00 41.03 N ATOM 442 CA LYS A 32 2.371 2.102 -5.766 1.00 65.42 C ATOM 443 C LYS A 32 2.097 0.840 -4.955 1.00 54.40 C ATOM 444 O LYS A 32 2.655 0.654 -3.872 1.00 14.55 O ATOM 445 CB LYS A 32 3.673 1.944 -6.554 1.00 30.11 C ATOM 446 CG LYS A 32 3.522 2.210 -8.041 1.00 72.00 C ATOM 447 CD LYS A 32 4.681 3.031 -8.582 1.00 53.53 C ATOM 448 CE LYS A 32 5.708 2.152 -9.279 1.00 60.04 C ATOM 449 NZ LYS A 32 5.858 2.508 -10.718 1.00 32.23 N ATOM 0 H LYS A 32 2.974 3.129 -4.042 1.00 41.03 H new ATOM 0 HA LYS A 32 1.547 2.248 -6.465 1.00 65.42 H new ATOM 0 HB2 LYS A 32 4.419 2.625 -6.146 1.00 30.11 H new ATOM 0 HB3 LYS A 32 4.053 0.932 -6.412 1.00 30.11 H new ATOM 0 HG2 LYS A 32 3.465 1.263 -8.577 1.00 72.00 H new ATOM 0 HG3 LYS A 32 2.585 2.737 -8.224 1.00 72.00 H new ATOM 0 HD2 LYS A 32 4.305 3.777 -9.281 1.00 53.53 H new ATOM 0 HD3 LYS A 32 5.158 3.572 -7.765 1.00 53.53 H new ATOM 0 HE2 LYS A 32 6.671 2.251 -8.778 1.00 60.04 H new ATOM 0 HE3 LYS A 32 5.410 1.107 -9.193 1.00 60.04 H new ATOM 0 HZ1 LYS A 32 6.405 1.769 -11.203 1.00 32.23 H new ATOM 0 HZ2 LYS A 32 4.918 2.587 -11.156 1.00 32.23 H new ATOM 0 HZ3 LYS A 32 6.356 3.417 -10.801 1.00 32.23 H new ATOM 459 N LEU A 33 1.241 -0.026 -5.485 1.00 33.32 N ATOM 460 CA LEU A 33 0.895 -1.272 -4.810 1.00 22.20 C ATOM 461 C LEU A 33 0.836 -2.430 -5.801 1.00 75.05 C ATOM 462 O LEU A 33 0.218 -2.322 -6.859 1.00 2.35 O ATOM 463 CB LEU A 33 -0.449 -1.130 -4.092 1.00 14.12 C ATOM 464 CG LEU A 33 -1.067 -2.426 -3.564 1.00 75.22 C ATOM 465 CD1 LEU A 33 -1.724 -3.203 -4.695 1.00 34.34 C ATOM 466 CD2 LEU A 33 -0.012 -3.277 -2.872 1.00 71.55 C ATOM 0 H LEU A 33 0.773 0.112 -6.381 1.00 33.32 H new ATOM 0 HA LEU A 33 1.671 -1.486 -4.075 1.00 22.20 H new ATOM 0 HB2 LEU A 33 -0.320 -0.444 -3.254 1.00 14.12 H new ATOM 0 HB3 LEU A 33 -1.158 -0.666 -4.778 1.00 14.12 H new ATOM 0 HG LEU A 33 -1.834 -2.169 -2.833 1.00 75.22 H new ATOM 0 HD11 LEU A 33 -2.158 -4.122 -4.301 1.00 34.34 H new ATOM 0 HD12 LEU A 33 -2.508 -2.595 -5.146 1.00 34.34 H new ATOM 0 HD13 LEU A 33 -0.977 -3.449 -5.449 1.00 34.34 H new ATOM 0 HD21 LEU A 33 -0.470 -4.195 -2.503 1.00 71.55 H new ATOM 0 HD22 LEU A 33 0.778 -3.525 -3.581 1.00 71.55 H new ATOM 0 HD23 LEU A 33 0.413 -2.721 -2.036 1.00 71.55 H new ATOM 477 N ASN A 34 1.484 -3.535 -5.450 1.00 13.34 N ATOM 478 CA ASN A 34 1.504 -4.715 -6.308 1.00 30.52 C ATOM 479 C ASN A 34 0.802 -5.890 -5.634 1.00 23.32 C ATOM 480 O ASN A 34 1.198 -6.329 -4.554 1.00 33.25 O ATOM 481 CB ASN A 34 2.945 -5.097 -6.651 1.00 60.32 C ATOM 482 CG ASN A 34 3.025 -6.349 -7.503 1.00 23.53 C ATOM 483 OD1 ASN A 34 3.004 -7.466 -6.986 1.00 51.24 O ATOM 484 ND2 ASN A 34 3.114 -6.167 -8.815 1.00 51.33 N ATOM 0 H ASN A 34 2.002 -3.639 -4.578 1.00 13.34 H new ATOM 0 HA ASN A 34 0.970 -4.474 -7.227 1.00 30.52 H new ATOM 0 HB2 ASN A 34 3.421 -4.271 -7.179 1.00 60.32 H new ATOM 0 HB3 ASN A 34 3.506 -5.252 -5.729 1.00 60.32 H new ATOM 0 HD21 ASN A 34 3.168 -6.972 -9.439 1.00 51.33 H new ATOM 0 HD22 ASN A 34 3.128 -5.222 -9.199 1.00 51.33 H new ATOM 490 N THR A 35 -0.244 -6.397 -6.281 1.00 14.40 N ATOM 491 CA THR A 35 -1.001 -7.520 -5.744 1.00 4.34 C ATOM 492 C THR A 35 -1.386 -8.501 -6.846 1.00 72.14 C ATOM 493 O THR A 35 -1.068 -8.291 -8.016 1.00 53.25 O ATOM 494 CB THR A 35 -2.280 -7.045 -5.028 1.00 12.25 C ATOM 495 OG1 THR A 35 -3.060 -6.228 -5.906 1.00 71.01 O ATOM 496 CG2 THR A 35 -1.934 -6.261 -3.770 1.00 2.32 C ATOM 0 H THR A 35 -0.585 -6.047 -7.176 1.00 14.40 H new ATOM 0 HA THR A 35 -0.354 -8.021 -5.024 1.00 4.34 H new ATOM 0 HB THR A 35 -2.859 -7.924 -4.743 1.00 12.25 H new ATOM 0 HG1 THR A 35 -3.872 -5.932 -5.443 1.00 71.01 H new ATOM 0 HG21 THR A 35 -2.852 -5.935 -3.280 1.00 2.32 H new ATOM 0 HG22 THR A 35 -1.366 -6.896 -3.090 1.00 2.32 H new ATOM 0 HG23 THR A 35 -1.336 -5.389 -4.037 1.00 2.32 H new ATOM 504 N GLY A 36 -2.073 -9.574 -6.466 1.00 14.14 N ATOM 505 CA GLY A 36 -2.490 -10.570 -7.436 1.00 15.54 C ATOM 506 C GLY A 36 -1.335 -11.417 -7.928 1.00 41.24 C ATOM 507 O GLY A 36 -0.527 -11.900 -7.134 1.00 52.44 O ATOM 0 H GLY A 36 -2.348 -9.771 -5.504 1.00 14.14 H new ATOM 0 HA2 GLY A 36 -3.245 -11.216 -6.988 1.00 15.54 H new ATOM 0 HA3 GLY A 36 -2.959 -10.072 -8.285 1.00 15.54 H new ATOM 511 N ARG A 37 -1.256 -11.602 -9.243 1.00 31.24 N ATOM 512 CA ARG A 37 -0.192 -12.400 -9.840 1.00 34.12 C ATOM 513 C ARG A 37 0.748 -11.524 -10.663 1.00 42.25 C ATOM 514 O ARG A 37 1.960 -11.742 -10.684 1.00 23.23 O ATOM 515 CB ARG A 37 -0.786 -13.501 -10.722 1.00 73.31 C ATOM 516 CG ARG A 37 -1.081 -14.789 -9.972 1.00 33.45 C ATOM 517 CD ARG A 37 -2.156 -14.584 -8.916 1.00 2.31 C ATOM 518 NE ARG A 37 -2.584 -15.848 -8.319 1.00 72.12 N ATOM 519 CZ ARG A 37 -3.443 -16.679 -8.897 1.00 65.42 C ATOM 520 NH1 ARG A 37 -3.965 -16.383 -10.081 1.00 33.33 N ATOM 521 NH2 ARG A 37 -3.783 -17.810 -8.293 1.00 63.40 N ATOM 0 H ARG A 37 -1.916 -11.210 -9.914 1.00 31.24 H new ATOM 0 HA ARG A 37 0.381 -12.859 -9.034 1.00 34.12 H new ATOM 0 HB2 ARG A 37 -1.708 -13.135 -11.174 1.00 73.31 H new ATOM 0 HB3 ARG A 37 -0.094 -13.715 -11.537 1.00 73.31 H new ATOM 0 HG2 ARG A 37 -1.403 -15.556 -10.676 1.00 33.45 H new ATOM 0 HG3 ARG A 37 -0.169 -15.153 -9.499 1.00 33.45 H new ATOM 0 HD2 ARG A 37 -1.777 -13.924 -8.136 1.00 2.31 H new ATOM 0 HD3 ARG A 37 -3.015 -14.086 -9.365 1.00 2.31 H new ATOM 0 HE ARG A 37 -2.202 -16.105 -7.409 1.00 72.12 H new ATOM 0 HH11 ARG A 37 -3.706 -15.515 -10.550 1.00 33.33 H new ATOM 0 HH12 ARG A 37 -4.625 -17.024 -10.522 1.00 33.33 H new ATOM 0 HH21 ARG A 37 -3.384 -18.042 -7.383 1.00 63.40 H new ATOM 0 HH22 ARG A 37 -4.443 -18.447 -8.738 1.00 63.40 H new ATOM 532 N THR A 38 0.180 -10.533 -11.343 1.00 72.32 N ATOM 533 CA THR A 38 0.966 -9.624 -12.170 1.00 43.34 C ATOM 534 C THR A 38 0.081 -8.571 -12.826 1.00 43.42 C ATOM 535 O THR A 38 0.527 -7.461 -13.110 1.00 52.04 O ATOM 536 CB THR A 38 1.736 -10.387 -13.265 1.00 62.50 C ATOM 537 OG1 THR A 38 2.726 -9.535 -13.850 1.00 70.12 O ATOM 538 CG2 THR A 38 0.788 -10.887 -14.345 1.00 4.30 C ATOM 0 H THR A 38 -0.821 -10.339 -11.338 1.00 72.32 H new ATOM 0 HA THR A 38 1.680 -9.132 -11.509 1.00 43.34 H new ATOM 0 HB THR A 38 2.222 -11.247 -12.805 1.00 62.50 H new ATOM 0 HG1 THR A 38 3.212 -10.027 -14.544 1.00 70.12 H new ATOM 0 HG21 THR A 38 1.354 -11.422 -15.107 1.00 4.30 H new ATOM 0 HG22 THR A 38 0.052 -11.558 -13.901 1.00 4.30 H new ATOM 0 HG23 THR A 38 0.277 -10.039 -14.802 1.00 4.30 H new ATOM 546 N GLU A 39 -1.178 -8.930 -13.064 1.00 33.24 N ATOM 547 CA GLU A 39 -2.127 -8.012 -13.686 1.00 2.31 C ATOM 548 C GLU A 39 -3.052 -7.395 -12.643 1.00 71.51 C ATOM 549 O GLU A 39 -4.221 -7.124 -12.917 1.00 2.44 O ATOM 550 CB GLU A 39 -2.952 -8.743 -14.748 1.00 10.55 C ATOM 551 CG GLU A 39 -3.413 -10.125 -14.316 1.00 20.04 C ATOM 552 CD GLU A 39 -4.273 -10.807 -15.362 1.00 24.45 C ATOM 553 OE1 GLU A 39 -5.044 -10.102 -16.048 1.00 23.11 O ATOM 554 OE2 GLU A 39 -4.176 -12.046 -15.495 1.00 31.43 O ATOM 0 H GLU A 39 -1.563 -9.847 -12.836 1.00 33.24 H new ATOM 0 HA GLU A 39 -1.561 -7.211 -14.161 1.00 2.31 H new ATOM 0 HB2 GLU A 39 -3.825 -8.139 -14.997 1.00 10.55 H new ATOM 0 HB3 GLU A 39 -2.358 -8.835 -15.657 1.00 10.55 H new ATOM 0 HG2 GLU A 39 -2.542 -10.746 -14.107 1.00 20.04 H new ATOM 0 HG3 GLU A 39 -3.976 -10.042 -13.386 1.00 20.04 H new ATOM 559 N ALA A 40 -2.520 -7.174 -11.445 1.00 52.34 N ATOM 560 CA ALA A 40 -3.296 -6.587 -10.360 1.00 71.55 C ATOM 561 C ALA A 40 -2.605 -5.351 -9.798 1.00 13.03 C ATOM 562 O ALA A 40 -3.158 -4.651 -8.948 1.00 61.40 O ATOM 563 CB ALA A 40 -3.527 -7.613 -9.261 1.00 34.35 C ATOM 0 H ALA A 40 -1.554 -7.393 -11.202 1.00 52.34 H new ATOM 0 HA ALA A 40 -4.261 -6.279 -10.761 1.00 71.55 H new ATOM 0 HB1 ALA A 40 -4.108 -7.161 -8.457 1.00 34.35 H new ATOM 0 HB2 ALA A 40 -4.072 -8.465 -9.667 1.00 34.35 H new ATOM 0 HB3 ALA A 40 -2.567 -7.950 -8.870 1.00 34.35 H new ATOM 569 N TRP A 41 -1.393 -5.087 -10.275 1.00 21.15 N ATOM 570 CA TRP A 41 -0.626 -3.934 -9.817 1.00 21.32 C ATOM 571 C TRP A 41 -1.263 -2.633 -10.292 1.00 41.51 C ATOM 572 O TRP A 41 -1.571 -2.476 -11.474 1.00 44.52 O ATOM 573 CB TRP A 41 0.816 -4.024 -10.318 1.00 71.42 C ATOM 574 CG TRP A 41 1.599 -2.763 -10.106 1.00 5.41 C ATOM 575 CD1 TRP A 41 2.215 -2.366 -8.955 1.00 32.15 C ATOM 576 CD2 TRP A 41 1.847 -1.735 -11.072 1.00 2.24 C ATOM 577 NE1 TRP A 41 2.831 -1.152 -9.145 1.00 13.40 N ATOM 578 CE2 TRP A 41 2.621 -0.745 -10.435 1.00 22.20 C ATOM 579 CE3 TRP A 41 1.491 -1.556 -12.410 1.00 73.04 C ATOM 580 CZ2 TRP A 41 3.043 0.407 -11.095 1.00 41.42 C ATOM 581 CZ3 TRP A 41 1.912 -0.413 -13.064 1.00 23.32 C ATOM 582 CH2 TRP A 41 2.682 0.555 -12.407 1.00 21.24 C ATOM 0 H TRP A 41 -0.921 -5.655 -10.978 1.00 21.15 H new ATOM 0 HA TRP A 41 -0.625 -3.939 -8.727 1.00 21.32 H new ATOM 0 HB2 TRP A 41 1.319 -4.846 -9.808 1.00 71.42 H new ATOM 0 HB3 TRP A 41 0.809 -4.265 -11.381 1.00 71.42 H new ATOM 0 HD1 TRP A 41 2.218 -2.924 -8.030 1.00 32.15 H new ATOM 0 HE1 TRP A 41 3.359 -0.638 -8.440 1.00 13.40 H new ATOM 0 HE3 TRP A 41 0.897 -2.297 -12.925 1.00 73.04 H new ATOM 0 HZ2 TRP A 41 3.634 1.157 -10.590 1.00 41.42 H new ATOM 0 HZ3 TRP A 41 1.643 -0.264 -14.099 1.00 23.32 H new ATOM 0 HH2 TRP A 41 2.997 1.436 -12.946 1.00 21.24 H new ATOM 592 N LYS A 42 -1.456 -1.700 -9.366 1.00 4.13 N ATOM 593 CA LYS A 42 -2.055 -0.412 -9.690 1.00 75.41 C ATOM 594 C LYS A 42 -1.299 0.725 -9.012 1.00 34.45 C ATOM 595 O LYS A 42 -0.594 0.514 -8.024 1.00 32.50 O ATOM 596 CB LYS A 42 -3.524 -0.386 -9.264 1.00 64.11 C ATOM 597 CG LYS A 42 -4.052 -1.740 -8.818 1.00 70.34 C ATOM 598 CD LYS A 42 -3.636 -2.057 -7.392 1.00 24.24 C ATOM 599 CE LYS A 42 -4.725 -1.679 -6.397 1.00 41.32 C ATOM 600 NZ LYS A 42 -5.236 -0.301 -6.632 1.00 21.41 N ATOM 0 H LYS A 42 -1.206 -1.813 -8.384 1.00 4.13 H new ATOM 0 HA LYS A 42 -1.994 -0.274 -10.769 1.00 75.41 H new ATOM 0 HB2 LYS A 42 -3.645 0.328 -8.449 1.00 64.11 H new ATOM 0 HB3 LYS A 42 -4.129 -0.026 -10.096 1.00 64.11 H new ATOM 0 HG2 LYS A 42 -5.139 -1.750 -8.892 1.00 70.34 H new ATOM 0 HG3 LYS A 42 -3.680 -2.515 -9.488 1.00 70.34 H new ATOM 0 HD2 LYS A 42 -3.414 -3.121 -7.304 1.00 24.24 H new ATOM 0 HD3 LYS A 42 -2.719 -1.519 -7.151 1.00 24.24 H new ATOM 0 HE2 LYS A 42 -5.548 -2.389 -6.472 1.00 41.32 H new ATOM 0 HE3 LYS A 42 -4.332 -1.753 -5.383 1.00 41.32 H new ATOM 0 HZ1 LYS A 42 -5.848 -0.018 -5.840 1.00 21.41 H new ATOM 0 HZ2 LYS A 42 -4.435 0.359 -6.704 1.00 21.41 H new ATOM 0 HZ3 LYS A 42 -5.782 -0.280 -7.517 1.00 21.41 H new ATOM 610 N VAL A 43 -1.452 1.934 -9.546 1.00 12.32 N ATOM 611 CA VAL A 43 -0.784 3.105 -8.991 1.00 13.45 C ATOM 612 C VAL A 43 -1.754 3.955 -8.177 1.00 25.43 C ATOM 613 O VAL A 43 -2.763 4.436 -8.697 1.00 41.30 O ATOM 614 CB VAL A 43 -0.162 3.975 -10.098 1.00 60.15 C ATOM 615 CG1 VAL A 43 0.710 5.066 -9.495 1.00 50.43 C ATOM 616 CG2 VAL A 43 0.639 3.115 -11.063 1.00 51.31 C ATOM 0 H VAL A 43 -2.033 2.127 -10.362 1.00 12.32 H new ATOM 0 HA VAL A 43 0.009 2.738 -8.340 1.00 13.45 H new ATOM 0 HB VAL A 43 -0.968 4.454 -10.655 1.00 60.15 H new ATOM 0 HG11 VAL A 43 1.141 5.670 -10.293 1.00 50.43 H new ATOM 0 HG12 VAL A 43 0.104 5.699 -8.847 1.00 50.43 H new ATOM 0 HG13 VAL A 43 1.511 4.611 -8.912 1.00 50.43 H new ATOM 0 HG21 VAL A 43 1.072 3.746 -11.839 1.00 51.31 H new ATOM 0 HG22 VAL A 43 1.437 2.607 -10.521 1.00 51.31 H new ATOM 0 HG23 VAL A 43 -0.017 2.375 -11.521 1.00 51.31 H new ATOM 626 N LEU A 44 -1.443 4.138 -6.899 1.00 30.12 N ATOM 627 CA LEU A 44 -2.288 4.931 -6.012 1.00 12.12 C ATOM 628 C LEU A 44 -1.781 6.367 -5.920 1.00 14.02 C ATOM 629 O LEU A 44 -0.578 6.619 -6.001 1.00 23.40 O ATOM 630 CB LEU A 44 -2.329 4.303 -4.617 1.00 62.14 C ATOM 631 CG LEU A 44 -2.000 2.812 -4.544 1.00 3.22 C ATOM 632 CD1 LEU A 44 -1.996 2.336 -3.100 1.00 70.23 C ATOM 633 CD2 LEU A 44 -2.990 2.005 -5.371 1.00 1.42 C ATOM 0 H LEU A 44 -0.612 3.748 -6.453 1.00 30.12 H new ATOM 0 HA LEU A 44 -3.296 4.945 -6.427 1.00 12.12 H new ATOM 0 HB2 LEU A 44 -1.629 4.841 -3.977 1.00 62.14 H new ATOM 0 HB3 LEU A 44 -3.325 4.456 -4.200 1.00 62.14 H new ATOM 0 HG LEU A 44 -1.003 2.660 -4.958 1.00 3.22 H new ATOM 0 HD11 LEU A 44 -1.760 1.272 -3.068 1.00 70.23 H new ATOM 0 HD12 LEU A 44 -1.246 2.891 -2.536 1.00 70.23 H new ATOM 0 HD13 LEU A 44 -2.979 2.503 -2.659 1.00 70.23 H new ATOM 0 HD21 LEU A 44 -2.740 0.946 -5.307 1.00 1.42 H new ATOM 0 HD22 LEU A 44 -3.998 2.163 -4.988 1.00 1.42 H new ATOM 0 HD23 LEU A 44 -2.942 2.327 -6.411 1.00 1.42 H new ATOM 644 N SER A 45 -2.706 7.306 -5.745 1.00 2.21 N ATOM 645 CA SER A 45 -2.354 8.716 -5.643 1.00 33.03 C ATOM 646 C SER A 45 -2.908 9.323 -4.356 1.00 42.10 C ATOM 647 O SER A 45 -3.830 8.792 -3.737 1.00 25.12 O ATOM 648 CB SER A 45 -2.886 9.486 -6.853 1.00 32.42 C ATOM 649 OG SER A 45 -1.928 9.525 -7.895 1.00 53.42 O ATOM 0 H SER A 45 -3.705 7.115 -5.671 1.00 2.21 H new ATOM 0 HA SER A 45 -1.267 8.792 -5.622 1.00 33.03 H new ATOM 0 HB2 SER A 45 -3.801 9.016 -7.214 1.00 32.42 H new ATOM 0 HB3 SER A 45 -3.146 10.502 -6.556 1.00 32.42 H new ATOM 0 HG SER A 45 -2.293 10.021 -8.657 1.00 53.42 H new ATOM 654 N PRO A 46 -2.333 10.463 -3.945 1.00 32.33 N ATOM 655 CA PRO A 46 -2.752 11.167 -2.729 1.00 60.04 C ATOM 656 C PRO A 46 -4.132 11.801 -2.874 1.00 1.21 C ATOM 657 O PRO A 46 -4.634 12.433 -1.945 1.00 12.45 O ATOM 658 CB PRO A 46 -1.682 12.249 -2.560 1.00 50.20 C ATOM 659 CG PRO A 46 -1.155 12.480 -3.933 1.00 41.41 C ATOM 660 CD PRO A 46 -1.229 11.151 -4.634 1.00 4.11 C ATOM 0 HA PRO A 46 -2.836 10.494 -1.876 1.00 60.04 H new ATOM 0 HB2 PRO A 46 -2.105 13.162 -2.140 1.00 50.20 H new ATOM 0 HB3 PRO A 46 -0.893 11.922 -1.883 1.00 50.20 H new ATOM 0 HG2 PRO A 46 -1.746 13.231 -4.457 1.00 41.41 H new ATOM 0 HG3 PRO A 46 -0.129 12.848 -3.901 1.00 41.41 H new ATOM 0 HD2 PRO A 46 -1.431 11.269 -5.699 1.00 4.11 H new ATOM 0 HD3 PRO A 46 -0.294 10.598 -4.546 1.00 4.11 H new ATOM 665 N GLN A 47 -4.738 11.626 -4.043 1.00 44.13 N ATOM 666 CA GLN A 47 -6.061 12.182 -4.308 1.00 41.24 C ATOM 667 C GLN A 47 -6.975 11.135 -4.936 1.00 75.42 C ATOM 668 O GLN A 47 -7.311 11.220 -6.118 1.00 13.14 O ATOM 669 CB GLN A 47 -5.950 13.399 -5.226 1.00 24.30 C ATOM 670 CG GLN A 47 -7.268 14.128 -5.430 1.00 63.44 C ATOM 671 CD GLN A 47 -7.722 14.873 -4.189 1.00 44.32 C ATOM 672 OE1 GLN A 47 -7.156 15.906 -3.830 1.00 73.31 O ATOM 673 NE2 GLN A 47 -8.747 14.349 -3.527 1.00 65.43 N ATOM 0 H GLN A 47 -4.335 11.104 -4.822 1.00 44.13 H new ATOM 0 HA GLN A 47 -6.496 12.492 -3.358 1.00 41.24 H new ATOM 0 HB2 GLN A 47 -5.221 14.093 -4.809 1.00 24.30 H new ATOM 0 HB3 GLN A 47 -5.567 13.079 -6.195 1.00 24.30 H new ATOM 0 HG2 GLN A 47 -7.165 14.833 -6.255 1.00 63.44 H new ATOM 0 HG3 GLN A 47 -8.035 13.410 -5.719 1.00 63.44 H new ATOM 0 HE21 GLN A 47 -9.185 13.491 -3.862 1.00 65.43 H new ATOM 0 HE22 GLN A 47 -9.096 14.805 -2.684 1.00 65.43 H new ATOM 680 N GLY A 48 -7.374 10.148 -4.140 1.00 62.35 N ATOM 681 CA GLY A 48 -8.244 9.100 -4.637 1.00 12.23 C ATOM 682 C GLY A 48 -7.491 8.040 -5.416 1.00 30.12 C ATOM 683 O GLY A 48 -7.564 7.992 -6.643 1.00 31.12 O ATOM 0 H GLY A 48 -7.110 10.056 -3.159 1.00 62.35 H new ATOM 0 HA2 GLY A 48 -8.759 8.632 -3.798 1.00 12.23 H new ATOM 0 HA3 GLY A 48 -9.009 9.540 -5.276 1.00 12.23 H new ATOM 687 N GLY A 49 -6.761 7.188 -4.701 1.00 3.23 N ATOM 688 CA GLY A 49 -5.999 6.137 -5.351 1.00 33.35 C ATOM 689 C GLY A 49 -6.870 4.980 -5.796 1.00 24.22 C ATOM 690 O GLY A 49 -6.666 3.842 -5.377 1.00 72.31 O ATOM 0 H GLY A 49 -6.684 7.207 -3.684 1.00 3.23 H new ATOM 0 HA2 GLY A 49 -5.480 6.551 -6.216 1.00 33.35 H new ATOM 0 HA3 GLY A 49 -5.235 5.770 -4.666 1.00 33.35 H new ATOM 694 N GLY A 50 -7.849 5.272 -6.649 1.00 30.11 N ATOM 695 CA GLY A 50 -8.741 4.237 -7.136 1.00 44.12 C ATOM 696 C GLY A 50 -9.981 4.089 -6.276 1.00 12.41 C ATOM 697 O GLY A 50 -10.096 4.686 -5.206 1.00 40.01 O ATOM 0 H GLY A 50 -8.039 6.207 -7.010 1.00 30.11 H new ATOM 0 HA2 GLY A 50 -9.038 4.469 -8.159 1.00 44.12 H new ATOM 0 HA3 GLY A 50 -8.208 3.287 -7.166 1.00 44.12 H new ATOM 701 N PRO A 51 -10.938 3.275 -6.747 1.00 11.14 N ATOM 702 CA PRO A 51 -12.193 3.031 -6.029 1.00 70.21 C ATOM 703 C PRO A 51 -11.985 2.213 -4.759 1.00 22.00 C ATOM 704 O PRO A 51 -11.737 1.008 -4.819 1.00 73.14 O ATOM 705 CB PRO A 51 -13.033 2.246 -7.040 1.00 12.13 C ATOM 706 CG PRO A 51 -12.036 1.586 -7.929 1.00 20.13 C ATOM 707 CD PRO A 51 -10.870 2.531 -8.016 1.00 14.45 C ATOM 0 HA PRO A 51 -12.659 3.958 -5.696 1.00 70.21 H new ATOM 0 HB2 PRO A 51 -13.667 1.512 -6.543 1.00 12.13 H new ATOM 0 HB3 PRO A 51 -13.692 2.906 -7.605 1.00 12.13 H new ATOM 0 HG2 PRO A 51 -11.728 0.623 -7.523 1.00 20.13 H new ATOM 0 HG3 PRO A 51 -12.458 1.395 -8.916 1.00 20.13 H new ATOM 0 HD2 PRO A 51 -9.926 1.996 -8.118 1.00 14.45 H new ATOM 0 HD3 PRO A 51 -10.954 3.195 -8.876 1.00 14.45 H new ATOM 712 N TRP A 52 -12.089 2.873 -3.612 1.00 74.14 N ATOM 713 CA TRP A 52 -11.913 2.206 -2.327 1.00 73.21 C ATOM 714 C TRP A 52 -12.816 0.982 -2.220 1.00 40.11 C ATOM 715 O TRP A 52 -12.446 -0.024 -1.615 1.00 63.52 O ATOM 716 CB TRP A 52 -12.208 3.174 -1.181 1.00 34.44 C ATOM 717 CG TRP A 52 -13.467 3.962 -1.378 1.00 43.22 C ATOM 718 CD1 TRP A 52 -14.743 3.545 -1.125 1.00 1.53 C ATOM 719 CD2 TRP A 52 -13.573 5.301 -1.872 1.00 34.22 C ATOM 720 NE1 TRP A 52 -15.634 4.544 -1.431 1.00 31.14 N ATOM 721 CE2 TRP A 52 -14.941 5.632 -1.890 1.00 74.24 C ATOM 722 CE3 TRP A 52 -12.643 6.255 -2.298 1.00 10.12 C ATOM 723 CZ2 TRP A 52 -15.400 6.875 -2.320 1.00 34.25 C ATOM 724 CZ3 TRP A 52 -13.100 7.487 -2.724 1.00 4.31 C ATOM 725 CH2 TRP A 52 -14.469 7.788 -2.732 1.00 55.33 C ATOM 0 H TRP A 52 -12.294 3.870 -3.545 1.00 74.14 H new ATOM 0 HA TRP A 52 -10.876 1.877 -2.257 1.00 73.21 H new ATOM 0 HB2 TRP A 52 -12.282 2.612 -0.250 1.00 34.44 H new ATOM 0 HB3 TRP A 52 -11.370 3.863 -1.072 1.00 34.44 H new ATOM 0 HD1 TRP A 52 -15.012 2.572 -0.741 1.00 1.53 H new ATOM 0 HE1 TRP A 52 -16.648 4.485 -1.332 1.00 31.14 H new ATOM 0 HE3 TRP A 52 -11.586 6.032 -2.294 1.00 10.12 H new ATOM 0 HZ2 TRP A 52 -16.454 7.109 -2.328 1.00 34.25 H new ATOM 0 HZ3 TRP A 52 -12.391 8.231 -3.056 1.00 4.31 H new ATOM 0 HH2 TRP A 52 -14.795 8.760 -3.070 1.00 55.33 H new ATOM 735 N ASP A 53 -14.002 1.075 -2.812 1.00 32.54 N ATOM 736 CA ASP A 53 -14.959 -0.026 -2.784 1.00 34.43 C ATOM 737 C ASP A 53 -14.389 -1.259 -3.477 1.00 41.22 C ATOM 738 O ASP A 53 -14.707 -2.390 -3.112 1.00 63.05 O ATOM 739 CB ASP A 53 -16.268 0.393 -3.456 1.00 10.31 C ATOM 740 CG ASP A 53 -17.348 -0.665 -3.327 1.00 73.11 C ATOM 741 OD1 ASP A 53 -17.346 -1.394 -2.313 1.00 1.21 O ATOM 742 OD2 ASP A 53 -18.194 -0.763 -4.240 1.00 72.21 O ATOM 0 H ASP A 53 -14.324 1.901 -3.317 1.00 32.54 H new ATOM 0 HA ASP A 53 -15.158 -0.277 -1.742 1.00 34.43 H new ATOM 0 HB2 ASP A 53 -16.620 1.324 -3.011 1.00 10.31 H new ATOM 0 HB3 ASP A 53 -16.084 0.594 -4.511 1.00 10.31 H new ATOM 746 N SER A 54 -13.544 -1.031 -4.479 1.00 21.32 N ATOM 747 CA SER A 54 -12.933 -2.124 -5.226 1.00 32.05 C ATOM 748 C SER A 54 -11.585 -2.507 -4.623 1.00 13.44 C ATOM 749 O SER A 54 -11.268 -3.689 -4.480 1.00 25.34 O ATOM 750 CB SER A 54 -12.754 -1.728 -6.693 1.00 45.31 C ATOM 751 OG SER A 54 -13.625 -0.669 -7.045 1.00 55.15 O ATOM 0 H SER A 54 -13.268 -0.100 -4.791 1.00 21.32 H new ATOM 0 HA SER A 54 -13.596 -2.987 -5.168 1.00 32.05 H new ATOM 0 HB2 SER A 54 -11.721 -1.427 -6.868 1.00 45.31 H new ATOM 0 HB3 SER A 54 -12.948 -2.590 -7.332 1.00 45.31 H new ATOM 0 HG SER A 54 -13.731 -0.643 -8.019 1.00 55.15 H new ATOM 756 N VAL A 55 -10.794 -1.500 -4.268 1.00 51.52 N ATOM 757 CA VAL A 55 -9.481 -1.730 -3.679 1.00 35.55 C ATOM 758 C VAL A 55 -9.333 -0.984 -2.357 1.00 53.14 C ATOM 759 O VAL A 55 -9.773 -1.461 -1.311 1.00 61.04 O ATOM 760 CB VAL A 55 -8.353 -1.290 -4.632 1.00 21.25 C ATOM 761 CG1 VAL A 55 -7.962 -2.431 -5.558 1.00 40.44 C ATOM 762 CG2 VAL A 55 -8.777 -0.066 -5.430 1.00 70.51 C ATOM 0 H VAL A 55 -11.040 -0.516 -4.378 1.00 51.52 H new ATOM 0 HA VAL A 55 -9.398 -2.802 -3.500 1.00 35.55 H new ATOM 0 HB VAL A 55 -7.481 -1.022 -4.036 1.00 21.25 H new ATOM 0 HG11 VAL A 55 -7.164 -2.102 -6.224 1.00 40.44 H new ATOM 0 HG12 VAL A 55 -7.614 -3.277 -4.966 1.00 40.44 H new ATOM 0 HG13 VAL A 55 -8.827 -2.733 -6.149 1.00 40.44 H new ATOM 0 HG21 VAL A 55 -7.968 0.231 -6.098 1.00 70.51 H new ATOM 0 HG22 VAL A 55 -9.664 -0.304 -6.017 1.00 70.51 H new ATOM 0 HG23 VAL A 55 -9.003 0.753 -4.747 1.00 70.51 H new ATOM 772 N ALA A 56 -8.712 0.189 -2.413 1.00 34.24 N ATOM 773 CA ALA A 56 -8.508 1.002 -1.219 1.00 74.51 C ATOM 774 C ALA A 56 -8.378 2.479 -1.577 1.00 63.43 C ATOM 775 O ALA A 56 -8.383 2.846 -2.752 1.00 4.11 O ATOM 776 CB ALA A 56 -7.275 0.531 -0.463 1.00 2.12 C ATOM 0 H ALA A 56 -8.342 0.598 -3.271 1.00 34.24 H new ATOM 0 HA ALA A 56 -9.381 0.885 -0.577 1.00 74.51 H new ATOM 0 HB1 ALA A 56 -7.136 1.147 0.425 1.00 2.12 H new ATOM 0 HB2 ALA A 56 -7.406 -0.510 -0.166 1.00 2.12 H new ATOM 0 HB3 ALA A 56 -6.399 0.618 -1.106 1.00 2.12 H new ATOM 782 N ARG A 57 -8.265 3.322 -0.557 1.00 75.12 N ATOM 783 CA ARG A 57 -8.135 4.760 -0.764 1.00 22.32 C ATOM 784 C ARG A 57 -6.854 5.290 -0.129 1.00 2.31 C ATOM 785 O ARG A 57 -6.263 4.639 0.734 1.00 33.03 O ATOM 786 CB ARG A 57 -9.346 5.492 -0.181 1.00 43.02 C ATOM 787 CG ARG A 57 -10.039 4.727 0.935 1.00 30.13 C ATOM 788 CD ARG A 57 -11.483 5.175 1.103 1.00 13.12 C ATOM 789 NE ARG A 57 -11.677 5.955 2.323 1.00 51.44 N ATOM 790 CZ ARG A 57 -12.850 6.452 2.699 1.00 70.32 C ATOM 791 NH1 ARG A 57 -13.928 6.253 1.953 1.00 55.12 N ATOM 792 NH2 ARG A 57 -12.945 7.152 3.821 1.00 1.43 N ATOM 0 H ARG A 57 -8.261 3.035 0.422 1.00 75.12 H new ATOM 0 HA ARG A 57 -8.089 4.943 -1.838 1.00 22.32 H new ATOM 0 HB2 ARG A 57 -9.026 6.462 0.199 1.00 43.02 H new ATOM 0 HB3 ARG A 57 -10.063 5.683 -0.979 1.00 43.02 H new ATOM 0 HG2 ARG A 57 -10.011 3.659 0.718 1.00 30.13 H new ATOM 0 HG3 ARG A 57 -9.499 4.876 1.870 1.00 30.13 H new ATOM 0 HD2 ARG A 57 -11.780 5.772 0.240 1.00 13.12 H new ATOM 0 HD3 ARG A 57 -12.133 4.301 1.125 1.00 13.12 H new ATOM 0 HE ARG A 57 -10.867 6.127 2.919 1.00 51.44 H new ATOM 0 HH11 ARG A 57 -13.858 5.717 1.088 1.00 55.12 H new ATOM 0 HH12 ARG A 57 -14.827 6.636 2.244 1.00 55.12 H new ATOM 0 HH21 ARG A 57 -12.117 7.309 4.396 1.00 1.43 H new ATOM 0 HH22 ARG A 57 -13.846 7.533 4.109 1.00 1.43 H new ATOM 803 N VAL A 58 -6.429 6.472 -0.561 1.00 13.53 N ATOM 804 CA VAL A 58 -5.217 7.088 -0.033 1.00 54.14 C ATOM 805 C VAL A 58 -5.550 8.277 0.862 1.00 2.34 C ATOM 806 O VAL A 58 -6.314 9.163 0.479 1.00 42.14 O ATOM 807 CB VAL A 58 -4.288 7.559 -1.167 1.00 61.22 C ATOM 808 CG1 VAL A 58 -2.983 8.097 -0.601 1.00 54.02 C ATOM 809 CG2 VAL A 58 -4.026 6.425 -2.147 1.00 15.22 C ATOM 0 H VAL A 58 -6.905 7.023 -1.275 1.00 13.53 H new ATOM 0 HA VAL A 58 -4.705 6.326 0.555 1.00 54.14 H new ATOM 0 HB VAL A 58 -4.783 8.367 -1.705 1.00 61.22 H new ATOM 0 HG11 VAL A 58 -2.340 8.425 -1.418 1.00 54.02 H new ATOM 0 HG12 VAL A 58 -3.192 8.940 0.057 1.00 54.02 H new ATOM 0 HG13 VAL A 58 -2.480 7.312 -0.036 1.00 54.02 H new ATOM 0 HG21 VAL A 58 -3.368 6.776 -2.942 1.00 15.22 H new ATOM 0 HG22 VAL A 58 -3.553 5.594 -1.624 1.00 15.22 H new ATOM 0 HG23 VAL A 58 -4.970 6.092 -2.578 1.00 15.22 H new ATOM 819 N LEU A 59 -4.972 8.287 2.058 1.00 31.40 N ATOM 820 CA LEU A 59 -5.207 9.369 3.011 1.00 71.23 C ATOM 821 C LEU A 59 -4.552 10.662 2.537 1.00 21.34 C ATOM 822 O LEU A 59 -3.610 10.658 1.746 1.00 52.30 O ATOM 823 CB LEU A 59 -4.665 8.986 4.390 1.00 23.11 C ATOM 824 CG LEU A 59 -5.417 7.872 5.120 1.00 44.14 C ATOM 825 CD1 LEU A 59 -4.834 6.512 4.763 1.00 0.55 C ATOM 826 CD2 LEU A 59 -5.373 8.095 6.624 1.00 3.51 C ATOM 0 H LEU A 59 -4.338 7.560 2.392 1.00 31.40 H new ATOM 0 HA LEU A 59 -6.282 9.532 3.082 1.00 71.23 H new ATOM 0 HB2 LEU A 59 -3.624 8.682 4.278 1.00 23.11 H new ATOM 0 HB3 LEU A 59 -4.671 9.875 5.021 1.00 23.11 H new ATOM 0 HG LEU A 59 -6.459 7.893 4.801 1.00 44.14 H new ATOM 0 HD11 LEU A 59 -5.381 5.731 5.291 1.00 0.55 H new ATOM 0 HD12 LEU A 59 -4.919 6.351 3.688 1.00 0.55 H new ATOM 0 HD13 LEU A 59 -3.784 6.479 5.053 1.00 0.55 H new ATOM 0 HD21 LEU A 59 -5.913 7.293 7.127 1.00 3.51 H new ATOM 0 HD22 LEU A 59 -4.336 8.101 6.961 1.00 3.51 H new ATOM 0 HD23 LEU A 59 -5.838 9.051 6.864 1.00 3.51 H new ATOM 837 N PRO A 60 -5.064 11.799 3.034 1.00 15.33 N ATOM 838 CA PRO A 60 -4.542 13.123 2.679 1.00 3.11 C ATOM 839 C PRO A 60 -3.155 13.376 3.260 1.00 44.32 C ATOM 840 O PRO A 60 -2.417 14.234 2.777 1.00 20.32 O ATOM 841 CB PRO A 60 -5.563 14.083 3.295 1.00 21.40 C ATOM 842 CG PRO A 60 -6.170 13.319 4.420 1.00 22.52 C ATOM 843 CD PRO A 60 -6.186 11.880 3.983 1.00 22.11 C ATOM 0 HA PRO A 60 -4.423 13.238 1.602 1.00 3.11 H new ATOM 0 HB2 PRO A 60 -5.084 14.996 3.649 1.00 21.40 H new ATOM 0 HB3 PRO A 60 -6.317 14.380 2.566 1.00 21.40 H new ATOM 0 HG2 PRO A 60 -5.589 13.443 5.334 1.00 22.52 H new ATOM 0 HG3 PRO A 60 -7.179 13.673 4.633 1.00 22.52 H new ATOM 0 HD2 PRO A 60 -6.049 11.203 4.826 1.00 22.11 H new ATOM 0 HD3 PRO A 60 -7.132 11.614 3.511 1.00 22.11 H new ATOM 848 N ASN A 61 -2.807 12.622 4.297 1.00 31.53 N ATOM 849 CA ASN A 61 -1.508 12.766 4.944 1.00 4.43 C ATOM 850 C ASN A 61 -0.431 12.001 4.180 1.00 44.11 C ATOM 851 O ASN A 61 0.731 11.978 4.580 1.00 64.14 O ATOM 852 CB ASN A 61 -1.576 12.265 6.389 1.00 22.23 C ATOM 853 CG ASN A 61 -2.226 10.899 6.497 1.00 11.31 C ATOM 854 OD1 ASN A 61 -2.274 10.143 5.527 1.00 54.44 O ATOM 855 ND2 ASN A 61 -2.731 10.576 7.682 1.00 63.44 N ATOM 0 H ASN A 61 -3.406 11.905 4.707 1.00 31.53 H new ATOM 0 HA ASN A 61 -1.246 13.824 4.944 1.00 4.43 H new ATOM 0 HB2 ASN A 61 -0.569 12.219 6.802 1.00 22.23 H new ATOM 0 HB3 ASN A 61 -2.136 12.980 6.993 1.00 22.23 H new ATOM 0 HD21 ASN A 61 -3.181 9.670 7.815 1.00 63.44 H new ATOM 0 HD22 ASN A 61 -2.669 11.234 8.459 1.00 63.44 H new ATOM 861 N GLY A 62 -0.830 11.376 3.075 1.00 12.23 N ATOM 862 CA GLY A 62 0.112 10.619 2.271 1.00 65.31 C ATOM 863 C GLY A 62 0.172 9.158 2.669 1.00 21.35 C ATOM 864 O GLY A 62 1.148 8.467 2.379 1.00 65.41 O ATOM 0 H GLY A 62 -1.787 11.381 2.723 1.00 12.23 H new ATOM 0 HA2 GLY A 62 -0.169 10.695 1.221 1.00 65.31 H new ATOM 0 HA3 GLY A 62 1.104 11.060 2.368 1.00 65.31 H new ATOM 868 N SER A 63 -0.875 8.685 3.340 1.00 72.32 N ATOM 869 CA SER A 63 -0.935 7.298 3.785 1.00 62.13 C ATOM 870 C SER A 63 -1.936 6.504 2.952 1.00 44.42 C ATOM 871 O SER A 63 -2.560 7.038 2.032 1.00 11.25 O ATOM 872 CB SER A 63 -1.318 7.230 5.264 1.00 12.32 C ATOM 873 OG SER A 63 -0.254 7.678 6.087 1.00 63.51 O ATOM 0 H SER A 63 -1.693 9.243 3.587 1.00 72.32 H new ATOM 0 HA SER A 63 0.053 6.857 3.653 1.00 62.13 H new ATOM 0 HB2 SER A 63 -2.202 7.842 5.442 1.00 12.32 H new ATOM 0 HB3 SER A 63 -1.580 6.206 5.528 1.00 12.32 H new ATOM 0 HG SER A 63 -0.524 7.627 7.028 1.00 63.51 H new ATOM 878 N LEU A 64 -2.087 5.225 3.280 1.00 51.04 N ATOM 879 CA LEU A 64 -3.013 4.355 2.564 1.00 72.12 C ATOM 880 C LEU A 64 -3.910 3.597 3.535 1.00 22.15 C ATOM 881 O LEU A 64 -3.431 2.973 4.483 1.00 64.54 O ATOM 882 CB LEU A 64 -2.241 3.367 1.687 1.00 13.35 C ATOM 883 CG LEU A 64 -3.074 2.278 1.010 1.00 1.34 C ATOM 884 CD1 LEU A 64 -4.062 2.893 0.032 1.00 1.34 C ATOM 885 CD2 LEU A 64 -2.170 1.279 0.301 1.00 0.01 C ATOM 0 H LEU A 64 -1.580 4.768 4.038 1.00 51.04 H new ATOM 0 HA LEU A 64 -3.642 4.980 1.930 1.00 72.12 H new ATOM 0 HB2 LEU A 64 -1.718 3.930 0.914 1.00 13.35 H new ATOM 0 HB3 LEU A 64 -1.480 2.885 2.301 1.00 13.35 H new ATOM 0 HG LEU A 64 -3.637 1.747 1.778 1.00 1.34 H new ATOM 0 HD11 LEU A 64 -4.646 2.103 -0.440 1.00 1.34 H new ATOM 0 HD12 LEU A 64 -4.730 3.568 0.566 1.00 1.34 H new ATOM 0 HD13 LEU A 64 -3.519 3.449 -0.732 1.00 1.34 H new ATOM 0 HD21 LEU A 64 -2.779 0.511 -0.175 1.00 0.01 H new ATOM 0 HD22 LEU A 64 -1.580 1.796 -0.456 1.00 0.01 H new ATOM 0 HD23 LEU A 64 -1.502 0.814 1.026 1.00 0.01 H new ATOM 896 N PHE A 65 -5.216 3.653 3.294 1.00 32.03 N ATOM 897 CA PHE A 65 -6.182 2.970 4.148 1.00 61.31 C ATOM 898 C PHE A 65 -7.089 2.061 3.324 1.00 42.40 C ATOM 899 O PHE A 65 -7.635 2.473 2.299 1.00 22.34 O ATOM 900 CB PHE A 65 -7.025 3.990 4.917 1.00 64.34 C ATOM 901 CG PHE A 65 -8.294 3.416 5.480 1.00 32.42 C ATOM 902 CD1 PHE A 65 -8.266 2.264 6.251 1.00 52.15 C ATOM 903 CD2 PHE A 65 -9.514 4.027 5.239 1.00 11.03 C ATOM 904 CE1 PHE A 65 -9.430 1.733 6.772 1.00 20.50 C ATOM 905 CE2 PHE A 65 -10.681 3.501 5.757 1.00 11.30 C ATOM 906 CZ PHE A 65 -10.640 2.351 6.524 1.00 73.32 C ATOM 0 H PHE A 65 -5.630 4.164 2.514 1.00 32.03 H new ATOM 0 HA PHE A 65 -5.630 2.355 4.859 1.00 61.31 H new ATOM 0 HB2 PHE A 65 -6.429 4.402 5.732 1.00 64.34 H new ATOM 0 HB3 PHE A 65 -7.273 4.818 4.253 1.00 64.34 H new ATOM 0 HD1 PHE A 65 -7.323 1.776 6.447 1.00 52.15 H new ATOM 0 HD2 PHE A 65 -9.553 4.924 4.639 1.00 11.03 H new ATOM 0 HE1 PHE A 65 -9.394 0.836 7.372 1.00 20.50 H new ATOM 0 HE2 PHE A 65 -11.625 3.988 5.563 1.00 11.30 H new ATOM 0 HZ PHE A 65 -11.552 1.937 6.928 1.00 73.32 H new ATOM 915 N LEU A 66 -7.245 0.823 3.778 1.00 12.10 N ATOM 916 CA LEU A 66 -8.084 -0.147 3.084 1.00 61.45 C ATOM 917 C LEU A 66 -9.283 -0.542 3.940 1.00 33.22 C ATOM 918 O LEU A 66 -9.150 -0.898 5.111 1.00 61.12 O ATOM 919 CB LEU A 66 -7.270 -1.391 2.722 1.00 63.22 C ATOM 920 CG LEU A 66 -5.943 -1.138 2.005 1.00 13.54 C ATOM 921 CD1 LEU A 66 -4.788 -1.187 2.994 1.00 54.33 C ATOM 922 CD2 LEU A 66 -5.736 -2.155 0.892 1.00 63.23 C ATOM 0 H LEU A 66 -6.801 0.467 4.624 1.00 12.10 H new ATOM 0 HA LEU A 66 -8.451 0.318 2.169 1.00 61.45 H new ATOM 0 HB2 LEU A 66 -7.066 -1.946 3.637 1.00 63.22 H new ATOM 0 HB3 LEU A 66 -7.885 -2.032 2.091 1.00 63.22 H new ATOM 0 HG LEU A 66 -5.975 -0.144 1.560 1.00 13.54 H new ATOM 0 HD11 LEU A 66 -3.851 -1.005 2.468 1.00 54.33 H new ATOM 0 HD12 LEU A 66 -4.930 -0.422 3.758 1.00 54.33 H new ATOM 0 HD13 LEU A 66 -4.755 -2.169 3.466 1.00 54.33 H new ATOM 0 HD21 LEU A 66 -4.787 -1.960 0.393 1.00 63.23 H new ATOM 0 HD22 LEU A 66 -5.724 -3.160 1.315 1.00 63.23 H new ATOM 0 HD23 LEU A 66 -6.549 -2.075 0.170 1.00 63.23 H new ATOM 933 N PRO A 67 -10.482 -0.480 3.345 1.00 72.43 N ATOM 934 CA PRO A 67 -11.728 -0.829 4.034 1.00 14.11 C ATOM 935 C PRO A 67 -11.836 -2.325 4.314 1.00 32.31 C ATOM 936 O PRO A 67 -12.410 -2.736 5.321 1.00 3.35 O ATOM 937 CB PRO A 67 -12.814 -0.390 3.049 1.00 24.13 C ATOM 938 CG PRO A 67 -12.155 -0.432 1.714 1.00 50.45 C ATOM 939 CD PRO A 67 -10.715 -0.064 1.951 1.00 22.21 C ATOM 0 HA PRO A 67 -11.801 -0.351 5.011 1.00 14.11 H new ATOM 0 HB2 PRO A 67 -13.675 -1.057 3.086 1.00 24.13 H new ATOM 0 HB3 PRO A 67 -13.176 0.612 3.280 1.00 24.13 H new ATOM 0 HG2 PRO A 67 -12.236 -1.424 1.270 1.00 50.45 H new ATOM 0 HG3 PRO A 67 -12.628 0.266 1.023 1.00 50.45 H new ATOM 0 HD2 PRO A 67 -10.049 -0.581 1.260 1.00 22.21 H new ATOM 0 HD3 PRO A 67 -10.546 1.004 1.817 1.00 22.21 H new ATOM 944 N ALA A 68 -11.278 -3.131 3.418 1.00 25.31 N ATOM 945 CA ALA A 68 -11.309 -4.581 3.570 1.00 10.13 C ATOM 946 C ALA A 68 -10.422 -5.261 2.534 1.00 60.03 C ATOM 947 O ALA A 68 -10.816 -5.431 1.380 1.00 11.41 O ATOM 948 CB ALA A 68 -12.738 -5.092 3.462 1.00 71.42 C ATOM 0 H ALA A 68 -10.799 -2.805 2.579 1.00 25.31 H new ATOM 0 HA ALA A 68 -10.921 -4.826 4.558 1.00 10.13 H new ATOM 0 HB1 ALA A 68 -12.747 -6.176 3.577 1.00 71.42 H new ATOM 0 HB2 ALA A 68 -13.347 -4.639 4.245 1.00 71.42 H new ATOM 0 HB3 ALA A 68 -13.146 -4.828 2.486 1.00 71.42 H new ATOM 954 N VAL A 69 -9.220 -5.648 2.952 1.00 32.45 N ATOM 955 CA VAL A 69 -8.276 -6.309 2.059 1.00 10.04 C ATOM 956 C VAL A 69 -8.649 -7.772 1.854 1.00 44.52 C ATOM 957 O VAL A 69 -8.577 -8.580 2.780 1.00 60.23 O ATOM 958 CB VAL A 69 -6.838 -6.230 2.604 1.00 32.22 C ATOM 959 CG1 VAL A 69 -6.307 -4.806 2.506 1.00 3.11 C ATOM 960 CG2 VAL A 69 -6.784 -6.729 4.040 1.00 35.43 C ATOM 0 H VAL A 69 -8.878 -5.515 3.904 1.00 32.45 H new ATOM 0 HA VAL A 69 -8.324 -5.786 1.104 1.00 10.04 H new ATOM 0 HB VAL A 69 -6.202 -6.873 1.996 1.00 32.22 H new ATOM 0 HG11 VAL A 69 -5.290 -4.769 2.896 1.00 3.11 H new ATOM 0 HG12 VAL A 69 -6.308 -4.488 1.463 1.00 3.11 H new ATOM 0 HG13 VAL A 69 -6.943 -4.140 3.089 1.00 3.11 H new ATOM 0 HG21 VAL A 69 -5.760 -6.666 4.409 1.00 35.43 H new ATOM 0 HG22 VAL A 69 -7.433 -6.114 4.664 1.00 35.43 H new ATOM 0 HG23 VAL A 69 -7.120 -7.765 4.078 1.00 35.43 H new ATOM 970 N GLY A 70 -9.051 -8.110 0.630 1.00 15.34 N ATOM 971 CA GLY A 70 -9.428 -9.477 0.325 1.00 33.43 C ATOM 972 C GLY A 70 -8.244 -10.327 -0.091 1.00 33.00 C ATOM 973 O GLY A 70 -7.127 -9.826 -0.218 1.00 4.12 O ATOM 0 H GLY A 70 -9.122 -7.461 -0.154 1.00 15.34 H new ATOM 0 HA2 GLY A 70 -9.902 -9.923 1.199 1.00 33.43 H new ATOM 0 HA3 GLY A 70 -10.169 -9.476 -0.474 1.00 33.43 H new ATOM 977 N ILE A 71 -8.489 -11.615 -0.301 1.00 40.54 N ATOM 978 CA ILE A 71 -7.432 -12.537 -0.704 1.00 73.31 C ATOM 979 C ILE A 71 -6.728 -12.047 -1.965 1.00 52.30 C ATOM 980 O ILE A 71 -5.537 -12.291 -2.156 1.00 52.31 O ATOM 981 CB ILE A 71 -7.985 -13.952 -0.956 1.00 22.41 C ATOM 982 CG1 ILE A 71 -6.953 -15.007 -0.552 1.00 31.42 C ATOM 983 CG2 ILE A 71 -8.375 -14.117 -2.417 1.00 71.45 C ATOM 984 CD1 ILE A 71 -6.828 -16.142 -1.544 1.00 33.14 C ATOM 0 H ILE A 71 -9.408 -12.045 -0.199 1.00 40.54 H new ATOM 0 HA ILE A 71 -6.717 -12.576 0.118 1.00 73.31 H new ATOM 0 HB ILE A 71 -8.877 -14.091 -0.345 1.00 22.41 H new ATOM 0 HG12 ILE A 71 -5.981 -14.527 -0.437 1.00 31.42 H new ATOM 0 HG13 ILE A 71 -7.224 -15.415 0.422 1.00 31.42 H new ATOM 0 HG21 ILE A 71 -8.764 -15.122 -2.578 1.00 71.45 H new ATOM 0 HG22 ILE A 71 -9.142 -13.386 -2.674 1.00 71.45 H new ATOM 0 HG23 ILE A 71 -7.499 -13.961 -3.047 1.00 71.45 H new ATOM 0 HD11 ILE A 71 -6.079 -16.852 -1.193 1.00 33.14 H new ATOM 0 HD12 ILE A 71 -7.789 -16.647 -1.642 1.00 33.14 H new ATOM 0 HD13 ILE A 71 -6.526 -15.746 -2.514 1.00 33.14 H new ATOM 995 N GLN A 72 -7.472 -11.355 -2.821 1.00 62.44 N ATOM 996 CA GLN A 72 -6.917 -10.830 -4.063 1.00 33.21 C ATOM 997 C GLN A 72 -6.071 -9.588 -3.800 1.00 21.42 C ATOM 998 O GLN A 72 -5.211 -9.231 -4.604 1.00 54.11 O ATOM 999 CB GLN A 72 -8.041 -10.498 -5.047 1.00 55.24 C ATOM 1000 CG GLN A 72 -8.549 -11.704 -5.819 1.00 25.25 C ATOM 1001 CD GLN A 72 -7.627 -12.105 -6.952 1.00 40.52 C ATOM 1002 OE1 GLN A 72 -7.741 -11.602 -8.071 1.00 15.23 O ATOM 1003 NE2 GLN A 72 -6.702 -13.016 -6.668 1.00 60.33 N ATOM 0 H GLN A 72 -8.460 -11.145 -2.678 1.00 62.44 H new ATOM 0 HA GLN A 72 -6.276 -11.597 -4.499 1.00 33.21 H new ATOM 0 HB2 GLN A 72 -8.871 -10.051 -4.500 1.00 55.24 H new ATOM 0 HB3 GLN A 72 -7.684 -9.749 -5.754 1.00 55.24 H new ATOM 0 HG2 GLN A 72 -8.665 -12.545 -5.135 1.00 25.25 H new ATOM 0 HG3 GLN A 72 -9.537 -11.482 -6.222 1.00 25.25 H new ATOM 0 HE21 GLN A 72 -6.643 -13.407 -5.728 1.00 60.33 H new ATOM 0 HE22 GLN A 72 -6.051 -13.324 -7.390 1.00 60.33 H new ATOM 1010 N ASP A 73 -6.323 -8.937 -2.671 1.00 31.53 N ATOM 1011 CA ASP A 73 -5.585 -7.735 -2.301 1.00 74.11 C ATOM 1012 C ASP A 73 -4.186 -8.087 -1.807 1.00 55.22 C ATOM 1013 O ASP A 73 -3.382 -7.204 -1.509 1.00 63.21 O ATOM 1014 CB ASP A 73 -6.339 -6.957 -1.221 1.00 10.11 C ATOM 1015 CG ASP A 73 -7.174 -5.829 -1.795 1.00 3.35 C ATOM 1016 OD1 ASP A 73 -7.625 -5.955 -2.952 1.00 21.11 O ATOM 1017 OD2 ASP A 73 -7.375 -4.820 -1.086 1.00 4.34 O ATOM 0 H ASP A 73 -7.033 -9.221 -1.996 1.00 31.53 H new ATOM 0 HA ASP A 73 -5.492 -7.110 -3.189 1.00 74.11 H new ATOM 0 HB2 ASP A 73 -6.986 -7.640 -0.670 1.00 10.11 H new ATOM 0 HB3 ASP A 73 -5.625 -6.549 -0.506 1.00 10.11 H new ATOM 1021 N GLU A 74 -3.902 -9.382 -1.723 1.00 44.12 N ATOM 1022 CA GLU A 74 -2.600 -9.851 -1.264 1.00 24.21 C ATOM 1023 C GLU A 74 -1.485 -9.337 -2.170 1.00 22.50 C ATOM 1024 O GLU A 74 -1.642 -9.272 -3.389 1.00 42.44 O ATOM 1025 CB GLU A 74 -2.570 -11.380 -1.218 1.00 44.12 C ATOM 1026 CG GLU A 74 -2.749 -12.034 -2.579 1.00 23.42 C ATOM 1027 CD GLU A 74 -1.432 -12.444 -3.208 1.00 34.51 C ATOM 1028 OE1 GLU A 74 -0.397 -11.831 -2.867 1.00 63.10 O ATOM 1029 OE2 GLU A 74 -1.435 -13.374 -4.038 1.00 43.14 O ATOM 0 H GLU A 74 -4.556 -10.126 -1.967 1.00 44.12 H new ATOM 0 HA GLU A 74 -2.437 -9.461 -0.259 1.00 24.21 H new ATOM 0 HB2 GLU A 74 -1.621 -11.704 -0.791 1.00 44.12 H new ATOM 0 HB3 GLU A 74 -3.356 -11.730 -0.550 1.00 44.12 H new ATOM 0 HG2 GLU A 74 -3.386 -12.912 -2.475 1.00 23.42 H new ATOM 0 HG3 GLU A 74 -3.265 -11.343 -3.245 1.00 23.42 H new ATOM 1034 N GLY A 75 -0.360 -8.969 -1.565 1.00 40.11 N ATOM 1035 CA GLY A 75 0.764 -8.464 -2.332 1.00 1.32 C ATOM 1036 C GLY A 75 1.714 -7.636 -1.489 1.00 23.10 C ATOM 1037 O GLY A 75 1.847 -7.864 -0.287 1.00 71.42 O ATOM 0 H GLY A 75 -0.207 -9.011 -0.557 1.00 40.11 H new ATOM 0 HA2 GLY A 75 1.307 -9.302 -2.770 1.00 1.32 H new ATOM 0 HA3 GLY A 75 0.393 -7.858 -3.158 1.00 1.32 H new ATOM 1041 N ILE A 76 2.377 -6.674 -2.123 1.00 73.52 N ATOM 1042 CA ILE A 76 3.321 -5.809 -1.424 1.00 25.42 C ATOM 1043 C ILE A 76 3.053 -4.341 -1.733 1.00 30.45 C ATOM 1044 O ILE A 76 2.799 -3.972 -2.881 1.00 24.15 O ATOM 1045 CB ILE A 76 4.775 -6.144 -1.799 1.00 51.03 C ATOM 1046 CG1 ILE A 76 4.931 -7.648 -2.036 1.00 13.31 C ATOM 1047 CG2 ILE A 76 5.727 -5.673 -0.709 1.00 62.30 C ATOM 1048 CD1 ILE A 76 4.612 -8.486 -0.818 1.00 3.41 C ATOM 0 H ILE A 76 2.278 -6.474 -3.118 1.00 73.52 H new ATOM 0 HA ILE A 76 3.180 -5.985 -0.358 1.00 25.42 H new ATOM 0 HB ILE A 76 5.025 -5.622 -2.723 1.00 51.03 H new ATOM 0 HG12 ILE A 76 4.278 -7.948 -2.855 1.00 13.31 H new ATOM 0 HG13 ILE A 76 5.954 -7.854 -2.352 1.00 13.31 H new ATOM 0 HG21 ILE A 76 6.751 -5.918 -0.990 1.00 62.30 H new ATOM 0 HG22 ILE A 76 5.633 -4.594 -0.585 1.00 62.30 H new ATOM 0 HG23 ILE A 76 5.480 -6.169 0.229 1.00 62.30 H new ATOM 0 HD11 ILE A 76 4.743 -9.541 -1.058 1.00 3.41 H new ATOM 0 HD12 ILE A 76 5.282 -8.213 -0.003 1.00 3.41 H new ATOM 0 HD13 ILE A 76 3.580 -8.309 -0.514 1.00 3.41 H new ATOM 1059 N PHE A 77 3.112 -3.504 -0.701 1.00 43.04 N ATOM 1060 CA PHE A 77 2.877 -2.074 -0.863 1.00 51.03 C ATOM 1061 C PHE A 77 4.193 -1.301 -0.843 1.00 31.43 C ATOM 1062 O PHE A 77 4.996 -1.447 0.079 1.00 32.10 O ATOM 1063 CB PHE A 77 1.953 -1.560 0.244 1.00 62.24 C ATOM 1064 CG PHE A 77 0.585 -2.182 0.220 1.00 41.42 C ATOM 1065 CD1 PHE A 77 0.396 -3.485 0.652 1.00 63.51 C ATOM 1066 CD2 PHE A 77 -0.509 -1.464 -0.234 1.00 54.15 C ATOM 1067 CE1 PHE A 77 -0.862 -4.060 0.630 1.00 34.32 C ATOM 1068 CE2 PHE A 77 -1.768 -2.033 -0.258 1.00 31.03 C ATOM 1069 CZ PHE A 77 -1.945 -3.333 0.175 1.00 32.22 C ATOM 0 H PHE A 77 3.320 -3.792 0.255 1.00 43.04 H new ATOM 0 HA PHE A 77 2.398 -1.916 -1.829 1.00 51.03 H new ATOM 0 HB2 PHE A 77 2.415 -1.755 1.212 1.00 62.24 H new ATOM 0 HB3 PHE A 77 1.853 -0.479 0.150 1.00 62.24 H new ATOM 0 HD1 PHE A 77 1.239 -4.057 1.009 1.00 63.51 H new ATOM 0 HD2 PHE A 77 -0.376 -0.447 -0.573 1.00 54.15 H new ATOM 0 HE1 PHE A 77 -0.997 -5.077 0.968 1.00 34.32 H new ATOM 0 HE2 PHE A 77 -2.613 -1.462 -0.615 1.00 31.03 H new ATOM 0 HZ PHE A 77 -2.928 -3.780 0.158 1.00 32.22 H new ATOM 1078 N ARG A 78 4.405 -0.479 -1.864 1.00 21.51 N ATOM 1079 CA ARG A 78 5.622 0.317 -1.965 1.00 53.45 C ATOM 1080 C ARG A 78 5.293 1.799 -2.115 1.00 14.12 C ATOM 1081 O ARG A 78 4.504 2.187 -2.977 1.00 3.44 O ATOM 1082 CB ARG A 78 6.466 -0.152 -3.152 1.00 51.04 C ATOM 1083 CG ARG A 78 7.627 -1.051 -2.758 1.00 70.10 C ATOM 1084 CD ARG A 78 8.870 -0.239 -2.424 1.00 2.44 C ATOM 1085 NE ARG A 78 9.318 0.566 -3.556 1.00 35.14 N ATOM 1086 CZ ARG A 78 10.076 1.650 -3.431 1.00 25.11 C ATOM 1087 NH1 ARG A 78 10.466 2.057 -2.230 1.00 43.44 N ATOM 1088 NH2 ARG A 78 10.443 2.332 -4.508 1.00 52.11 N ATOM 0 H ARG A 78 3.749 -0.346 -2.634 1.00 21.51 H new ATOM 0 HA ARG A 78 6.192 0.181 -1.046 1.00 53.45 H new ATOM 0 HB2 ARG A 78 5.825 -0.687 -3.853 1.00 51.04 H new ATOM 0 HB3 ARG A 78 6.855 0.720 -3.677 1.00 51.04 H new ATOM 0 HG2 ARG A 78 7.344 -1.657 -1.897 1.00 70.10 H new ATOM 0 HG3 ARG A 78 7.849 -1.740 -3.573 1.00 70.10 H new ATOM 0 HD2 ARG A 78 8.660 0.413 -1.576 1.00 2.44 H new ATOM 0 HD3 ARG A 78 9.671 -0.912 -2.118 1.00 2.44 H new ATOM 0 HE ARG A 78 9.034 0.281 -4.493 1.00 35.14 H new ATOM 0 HH11 ARG A 78 10.184 1.537 -1.399 1.00 43.44 H new ATOM 0 HH12 ARG A 78 11.048 2.890 -2.138 1.00 43.44 H new ATOM 0 HH21 ARG A 78 10.143 2.024 -5.433 1.00 52.11 H new ATOM 0 HH22 ARG A 78 11.025 3.164 -4.411 1.00 52.11 H new ATOM 1099 N CYS A 79 5.903 2.623 -1.270 1.00 51.03 N ATOM 1100 CA CYS A 79 5.675 4.062 -1.307 1.00 31.51 C ATOM 1101 C CYS A 79 6.980 4.813 -1.555 1.00 61.11 C ATOM 1102 O CYS A 79 8.056 4.345 -1.188 1.00 31.05 O ATOM 1103 CB CYS A 79 5.043 4.534 0.005 1.00 40.21 C ATOM 1104 SG CYS A 79 4.625 6.306 0.033 1.00 25.34 S ATOM 0 H CYS A 79 6.559 2.318 -0.551 1.00 51.03 H new ATOM 0 HA CYS A 79 4.991 4.275 -2.129 1.00 31.51 H new ATOM 0 HB2 CYS A 79 4.138 3.955 0.189 1.00 40.21 H new ATOM 0 HB3 CYS A 79 5.730 4.321 0.824 1.00 40.21 H new ATOM 1108 N GLN A 80 6.874 5.982 -2.180 1.00 25.44 N ATOM 1109 CA GLN A 80 8.044 6.798 -2.478 1.00 1.25 C ATOM 1110 C GLN A 80 7.754 8.276 -2.241 1.00 62.12 C ATOM 1111 O GLN A 80 6.702 8.782 -2.632 1.00 44.52 O ATOM 1112 CB GLN A 80 8.491 6.579 -3.924 1.00 33.22 C ATOM 1113 CG GLN A 80 9.950 6.929 -4.171 1.00 4.14 C ATOM 1114 CD GLN A 80 10.268 7.101 -5.643 1.00 33.12 C ATOM 1115 OE1 GLN A 80 9.664 7.927 -6.328 1.00 71.11 O ATOM 1116 NE2 GLN A 80 11.220 6.319 -6.138 1.00 24.22 N ATOM 0 H GLN A 80 5.989 6.384 -2.489 1.00 25.44 H new ATOM 0 HA GLN A 80 8.847 6.493 -1.807 1.00 1.25 H new ATOM 0 HB2 GLN A 80 8.326 5.535 -4.192 1.00 33.22 H new ATOM 0 HB3 GLN A 80 7.865 7.180 -4.584 1.00 33.22 H new ATOM 0 HG2 GLN A 80 10.194 7.850 -3.641 1.00 4.14 H new ATOM 0 HG3 GLN A 80 10.583 6.145 -3.756 1.00 4.14 H new ATOM 0 HE21 GLN A 80 11.695 5.648 -5.534 1.00 24.22 H new ATOM 0 HE22 GLN A 80 11.477 6.389 -7.123 1.00 24.22 H new ATOM 1123 N ALA A 81 8.691 8.964 -1.597 1.00 42.32 N ATOM 1124 CA ALA A 81 8.536 10.384 -1.309 1.00 3.32 C ATOM 1125 C ALA A 81 9.785 11.164 -1.703 1.00 10.43 C ATOM 1126 O ALA A 81 10.853 10.585 -1.899 1.00 54.43 O ATOM 1127 CB ALA A 81 8.222 10.593 0.164 1.00 0.15 C ATOM 0 H ALA A 81 9.567 8.560 -1.265 1.00 42.32 H new ATOM 0 HA ALA A 81 7.703 10.761 -1.903 1.00 3.32 H new ATOM 0 HB1 ALA A 81 8.109 11.658 0.364 1.00 0.15 H new ATOM 0 HB2 ALA A 81 7.296 10.076 0.415 1.00 0.15 H new ATOM 0 HB3 ALA A 81 9.036 10.194 0.770 1.00 0.15 H new ATOM 1133 N MET A 82 9.645 12.480 -1.817 1.00 10.32 N ATOM 1134 CA MET A 82 10.764 13.339 -2.186 1.00 3.10 C ATOM 1135 C MET A 82 10.895 14.509 -1.216 1.00 50.30 C ATOM 1136 O MET A 82 9.944 15.261 -1.003 1.00 74.44 O ATOM 1137 CB MET A 82 10.583 13.862 -3.613 1.00 20.11 C ATOM 1138 CG MET A 82 10.806 12.805 -4.681 1.00 24.31 C ATOM 1139 SD MET A 82 12.509 12.218 -4.734 1.00 53.11 S ATOM 1140 CE MET A 82 13.398 13.770 -4.841 1.00 72.01 C ATOM 0 H MET A 82 8.767 12.975 -1.659 1.00 10.32 H new ATOM 0 HA MET A 82 11.677 12.746 -2.136 1.00 3.10 H new ATOM 0 HB2 MET A 82 9.576 14.266 -3.718 1.00 20.11 H new ATOM 0 HB3 MET A 82 11.276 14.687 -3.779 1.00 20.11 H new ATOM 0 HG2 MET A 82 10.141 11.961 -4.496 1.00 24.31 H new ATOM 0 HG3 MET A 82 10.537 13.215 -5.654 1.00 24.31 H new ATOM 0 HE1 MET A 82 14.359 13.606 -5.329 1.00 72.01 H new ATOM 0 HE2 MET A 82 12.814 14.485 -5.420 1.00 72.01 H new ATOM 0 HE3 MET A 82 13.563 14.164 -3.838 1.00 72.01 H new ATOM 1148 N ASN A 83 12.079 14.655 -0.629 1.00 24.23 N ATOM 1149 CA ASN A 83 12.332 15.733 0.320 1.00 0.22 C ATOM 1150 C ASN A 83 12.846 16.979 -0.396 1.00 63.25 C ATOM 1151 O ASN A 83 13.161 16.938 -1.585 1.00 70.15 O ATOM 1152 CB ASN A 83 13.346 15.283 1.375 1.00 3.13 C ATOM 1153 CG ASN A 83 13.049 13.895 1.906 1.00 21.45 C ATOM 1154 OD1 ASN A 83 13.791 12.947 1.649 1.00 3.35 O ATOM 1155 ND2 ASN A 83 11.958 13.768 2.654 1.00 62.21 N ATOM 0 H ASN A 83 12.877 14.041 -0.794 1.00 24.23 H new ATOM 0 HA ASN A 83 11.391 15.980 0.811 1.00 0.22 H new ATOM 0 HB2 ASN A 83 14.347 15.297 0.943 1.00 3.13 H new ATOM 0 HB3 ASN A 83 13.346 15.993 2.202 1.00 3.13 H new ATOM 0 HD21 ASN A 83 11.708 12.858 3.040 1.00 62.21 H new ATOM 0 HD22 ASN A 83 11.371 14.581 2.842 1.00 62.21 H new ATOM 1161 N ARG A 84 12.928 18.085 0.337 1.00 4.12 N ATOM 1162 CA ARG A 84 13.401 19.342 -0.228 1.00 54.05 C ATOM 1163 C ARG A 84 14.912 19.303 -0.449 1.00 64.32 C ATOM 1164 O ARG A 84 15.449 20.062 -1.254 1.00 52.45 O ATOM 1165 CB ARG A 84 13.040 20.509 0.693 1.00 13.31 C ATOM 1166 CG ARG A 84 11.631 21.036 0.483 1.00 22.03 C ATOM 1167 CD ARG A 84 10.626 20.307 1.362 1.00 35.04 C ATOM 1168 NE ARG A 84 10.867 20.546 2.782 1.00 34.05 N ATOM 1169 CZ ARG A 84 9.958 20.332 3.728 1.00 72.11 C ATOM 1170 NH1 ARG A 84 8.756 19.876 3.406 1.00 15.35 N ATOM 1171 NH2 ARG A 84 10.253 20.573 4.999 1.00 55.20 N ATOM 0 H ARG A 84 12.673 18.135 1.323 1.00 4.12 H new ATOM 0 HA ARG A 84 12.912 19.485 -1.192 1.00 54.05 H new ATOM 0 HB2 ARG A 84 13.149 20.190 1.730 1.00 13.31 H new ATOM 0 HB3 ARG A 84 13.750 21.320 0.533 1.00 13.31 H new ATOM 0 HG2 ARG A 84 11.604 22.103 0.705 1.00 22.03 H new ATOM 0 HG3 ARG A 84 11.351 20.921 -0.564 1.00 22.03 H new ATOM 0 HD2 ARG A 84 9.618 20.632 1.106 1.00 35.04 H new ATOM 0 HD3 ARG A 84 10.677 19.237 1.161 1.00 35.04 H new ATOM 0 HE ARG A 84 11.783 20.896 3.063 1.00 34.05 H new ATOM 0 HH11 ARG A 84 8.526 19.688 2.430 1.00 15.35 H new ATOM 0 HH12 ARG A 84 8.061 19.713 4.134 1.00 15.35 H new ATOM 0 HH21 ARG A 84 11.178 20.923 5.251 1.00 55.20 H new ATOM 0 HH22 ARG A 84 9.555 20.409 5.725 1.00 55.20 H new ATOM 1182 N ASN A 85 15.587 18.416 0.272 1.00 31.15 N ATOM 1183 CA ASN A 85 17.034 18.279 0.156 1.00 55.30 C ATOM 1184 C ASN A 85 17.413 17.594 -1.155 1.00 12.15 C ATOM 1185 O ASN A 85 18.547 17.703 -1.619 1.00 14.23 O ATOM 1186 CB ASN A 85 17.589 17.482 1.338 1.00 33.03 C ATOM 1187 CG ASN A 85 19.099 17.580 1.445 1.00 34.23 C ATOM 1188 OD1 ASN A 85 19.829 16.900 0.723 1.00 33.03 O ATOM 1189 ND2 ASN A 85 19.575 18.430 2.348 1.00 71.11 N ATOM 0 H ASN A 85 15.156 17.781 0.943 1.00 31.15 H new ATOM 0 HA ASN A 85 17.469 19.278 0.163 1.00 55.30 H new ATOM 0 HB2 ASN A 85 17.138 17.845 2.261 1.00 33.03 H new ATOM 0 HB3 ASN A 85 17.302 16.436 1.234 1.00 33.03 H new ATOM 0 HD21 ASN A 85 20.582 18.539 2.464 1.00 71.11 H new ATOM 0 HD22 ASN A 85 18.933 18.973 2.925 1.00 71.11 H new ATOM 1195 N GLY A 86 16.454 16.889 -1.746 1.00 73.20 N ATOM 1196 CA GLY A 86 16.705 16.198 -2.997 1.00 1.35 C ATOM 1197 C GLY A 86 16.749 14.692 -2.828 1.00 50.02 C ATOM 1198 O GLY A 86 16.819 13.951 -3.810 1.00 1.25 O ATOM 0 H GLY A 86 15.507 16.784 -1.381 1.00 73.20 H new ATOM 0 HA2 GLY A 86 15.927 16.458 -3.715 1.00 1.35 H new ATOM 0 HA3 GLY A 86 17.651 16.542 -3.415 1.00 1.35 H new ATOM 1202 N LYS A 87 16.712 14.236 -1.581 1.00 24.52 N ATOM 1203 CA LYS A 87 16.747 12.808 -1.286 1.00 72.14 C ATOM 1204 C LYS A 87 15.351 12.201 -1.363 1.00 62.33 C ATOM 1205 O LYS A 87 14.361 12.857 -1.040 1.00 40.33 O ATOM 1206 CB LYS A 87 17.343 12.570 0.104 1.00 63.22 C ATOM 1207 CG LYS A 87 18.858 12.473 0.108 1.00 41.13 C ATOM 1208 CD LYS A 87 19.505 13.839 0.253 1.00 42.02 C ATOM 1209 CE LYS A 87 19.831 14.447 -1.102 1.00 52.33 C ATOM 1210 NZ LYS A 87 21.148 15.141 -1.096 1.00 32.13 N ATOM 0 H LYS A 87 16.658 14.835 -0.757 1.00 24.52 H new ATOM 0 HA LYS A 87 17.375 12.323 -2.033 1.00 72.14 H new ATOM 0 HB2 LYS A 87 17.038 13.381 0.765 1.00 63.22 H new ATOM 0 HB3 LYS A 87 16.927 11.650 0.516 1.00 63.22 H new ATOM 0 HG2 LYS A 87 19.180 11.829 0.926 1.00 41.13 H new ATOM 0 HG3 LYS A 87 19.196 12.006 -0.817 1.00 41.13 H new ATOM 0 HD2 LYS A 87 18.836 14.504 0.800 1.00 42.02 H new ATOM 0 HD3 LYS A 87 20.418 13.750 0.842 1.00 42.02 H new ATOM 0 HE2 LYS A 87 19.837 13.663 -1.860 1.00 52.33 H new ATOM 0 HE3 LYS A 87 19.049 15.154 -1.380 1.00 52.33 H new ATOM 0 HZ1 LYS A 87 21.380 15.453 -2.060 1.00 32.13 H new ATOM 0 HZ2 LYS A 87 21.102 15.967 -0.466 1.00 32.13 H new ATOM 0 HZ3 LYS A 87 21.883 14.488 -0.757 1.00 32.13 H new ATOM 1220 N GLU A 88 15.279 10.946 -1.795 1.00 53.53 N ATOM 1221 CA GLU A 88 14.004 10.251 -1.914 1.00 0.03 C ATOM 1222 C GLU A 88 13.828 9.237 -0.786 1.00 31.33 C ATOM 1223 O GLU A 88 14.789 8.602 -0.352 1.00 20.42 O ATOM 1224 CB GLU A 88 13.906 9.545 -3.268 1.00 44.24 C ATOM 1225 CG GLU A 88 14.561 8.174 -3.287 1.00 64.11 C ATOM 1226 CD GLU A 88 14.532 7.533 -4.662 1.00 62.32 C ATOM 1227 OE1 GLU A 88 14.336 8.265 -5.654 1.00 24.41 O ATOM 1228 OE2 GLU A 88 14.707 6.299 -4.743 1.00 42.04 O ATOM 0 H GLU A 88 16.089 10.390 -2.068 1.00 53.53 H new ATOM 0 HA GLU A 88 13.208 10.992 -1.840 1.00 0.03 H new ATOM 0 HB2 GLU A 88 12.855 9.440 -3.539 1.00 44.24 H new ATOM 0 HB3 GLU A 88 14.371 10.171 -4.030 1.00 44.24 H new ATOM 0 HG2 GLU A 88 15.595 8.265 -2.954 1.00 64.11 H new ATOM 0 HG3 GLU A 88 14.053 7.523 -2.576 1.00 64.11 H new ATOM 1233 N THR A 89 12.592 9.093 -0.316 1.00 14.24 N ATOM 1234 CA THR A 89 12.290 8.161 0.762 1.00 44.53 C ATOM 1235 C THR A 89 11.628 6.897 0.226 1.00 2.10 C ATOM 1236 O THR A 89 10.621 6.962 -0.480 1.00 4.55 O ATOM 1237 CB THR A 89 11.367 8.800 1.817 1.00 33.23 C ATOM 1238 OG1 THR A 89 10.972 10.109 1.392 1.00 31.21 O ATOM 1239 CG2 THR A 89 12.066 8.890 3.165 1.00 72.24 C ATOM 0 H THR A 89 11.785 9.610 -0.665 1.00 14.24 H new ATOM 0 HA THR A 89 13.240 7.902 1.230 1.00 44.53 H new ATOM 0 HB THR A 89 10.484 8.170 1.925 1.00 33.23 H new ATOM 0 HG1 THR A 89 10.818 10.675 2.177 1.00 31.21 H new ATOM 0 HG21 THR A 89 11.394 9.344 3.893 1.00 72.24 H new ATOM 0 HG22 THR A 89 12.341 7.890 3.500 1.00 72.24 H new ATOM 0 HG23 THR A 89 12.964 9.500 3.069 1.00 72.24 H new ATOM 1247 N LYS A 90 12.200 5.745 0.564 1.00 31.34 N ATOM 1248 CA LYS A 90 11.666 4.465 0.119 1.00 44.11 C ATOM 1249 C LYS A 90 10.893 3.776 1.240 1.00 74.43 C ATOM 1250 O LYS A 90 11.283 3.844 2.406 1.00 71.40 O ATOM 1251 CB LYS A 90 12.798 3.556 -0.366 1.00 22.02 C ATOM 1252 CG LYS A 90 13.564 4.119 -1.550 1.00 74.54 C ATOM 1253 CD LYS A 90 14.385 3.046 -2.246 1.00 42.35 C ATOM 1254 CE LYS A 90 13.494 1.992 -2.886 1.00 15.11 C ATOM 1255 NZ LYS A 90 14.221 1.208 -3.922 1.00 53.44 N ATOM 0 H LYS A 90 13.035 5.673 1.146 1.00 31.34 H new ATOM 0 HA LYS A 90 10.981 4.655 -0.707 1.00 44.11 H new ATOM 0 HB2 LYS A 90 13.492 3.384 0.457 1.00 22.02 H new ATOM 0 HB3 LYS A 90 12.382 2.587 -0.641 1.00 22.02 H new ATOM 0 HG2 LYS A 90 12.865 4.561 -2.260 1.00 74.54 H new ATOM 0 HG3 LYS A 90 14.222 4.919 -1.211 1.00 74.54 H new ATOM 0 HD2 LYS A 90 15.014 3.505 -3.009 1.00 42.35 H new ATOM 0 HD3 LYS A 90 15.052 2.572 -1.526 1.00 42.35 H new ATOM 0 HE2 LYS A 90 13.119 1.317 -2.116 1.00 15.11 H new ATOM 0 HE3 LYS A 90 12.627 2.474 -3.337 1.00 15.11 H new ATOM 0 HZ1 LYS A 90 13.580 0.500 -4.335 1.00 53.44 H new ATOM 0 HZ2 LYS A 90 14.557 1.848 -4.669 1.00 53.44 H new ATOM 0 HZ3 LYS A 90 15.034 0.727 -3.487 1.00 53.44 H new ATOM 1265 N SER A 91 9.798 3.116 0.879 1.00 0.05 N ATOM 1266 CA SER A 91 8.970 2.418 1.856 1.00 2.52 C ATOM 1267 C SER A 91 8.354 1.161 1.248 1.00 41.05 C ATOM 1268 O SER A 91 7.615 1.232 0.267 1.00 21.41 O ATOM 1269 CB SER A 91 7.866 3.342 2.373 1.00 33.31 C ATOM 1270 OG SER A 91 8.336 4.154 3.435 1.00 12.24 O ATOM 0 H SER A 91 9.463 3.050 -0.082 1.00 0.05 H new ATOM 0 HA SER A 91 9.607 2.122 2.690 1.00 2.52 H new ATOM 0 HB2 SER A 91 7.506 3.973 1.561 1.00 33.31 H new ATOM 0 HB3 SER A 91 7.019 2.747 2.714 1.00 33.31 H new ATOM 0 HG SER A 91 7.899 3.886 4.270 1.00 12.24 H new ATOM 1275 N ASN A 92 8.667 0.011 1.837 1.00 21.41 N ATOM 1276 CA ASN A 92 8.144 -1.261 1.354 1.00 23.11 C ATOM 1277 C ASN A 92 7.532 -2.067 2.494 1.00 30.14 C ATOM 1278 O ASN A 92 8.200 -2.368 3.485 1.00 22.45 O ATOM 1279 CB ASN A 92 9.257 -2.069 0.683 1.00 3.23 C ATOM 1280 CG ASN A 92 8.726 -3.290 -0.045 1.00 64.02 C ATOM 1281 OD1 ASN A 92 8.260 -4.275 0.713 1.00 14.23 O flip ATOM 1282 ND2 ASN A 92 8.734 -3.345 -1.276 1.00 4.54 N flip ATOM 0 H ASN A 92 9.280 -0.066 2.649 1.00 21.41 H new ATOM 0 HA ASN A 92 7.363 -1.051 0.623 1.00 23.11 H new ATOM 0 HB2 ASN A 92 9.790 -1.432 -0.023 1.00 3.23 H new ATOM 0 HB3 ASN A 92 9.979 -2.384 1.437 1.00 3.23 H new ATOM 0 HD21 ASN A 92 9.102 -2.564 -1.819 1.00 4.54 H new ATOM 0 HD22 ASN A 92 8.373 -4.172 -1.752 1.00 4.54 H new ATOM 1288 N TYR A 93 6.257 -2.414 2.350 1.00 34.20 N ATOM 1289 CA TYR A 93 5.554 -3.182 3.368 1.00 12.21 C ATOM 1290 C TYR A 93 4.829 -4.373 2.748 1.00 0.22 C ATOM 1291 O TYR A 93 3.953 -4.208 1.899 1.00 21.24 O ATOM 1292 CB TYR A 93 4.555 -2.293 4.110 1.00 33.41 C ATOM 1293 CG TYR A 93 5.061 -0.889 4.356 1.00 4.24 C ATOM 1294 CD1 TYR A 93 6.216 -0.665 5.094 1.00 62.51 C ATOM 1295 CD2 TYR A 93 4.383 0.213 3.849 1.00 64.51 C ATOM 1296 CE1 TYR A 93 6.682 0.616 5.321 1.00 22.14 C ATOM 1297 CE2 TYR A 93 4.842 1.497 4.071 1.00 30.54 C ATOM 1298 CZ TYR A 93 5.992 1.693 4.807 1.00 21.14 C ATOM 1299 OH TYR A 93 6.451 2.971 5.031 1.00 52.43 O ATOM 0 H TYR A 93 5.690 -2.174 1.537 1.00 34.20 H new ATOM 0 HA TYR A 93 6.292 -3.557 4.077 1.00 12.21 H new ATOM 0 HB2 TYR A 93 3.630 -2.242 3.535 1.00 33.41 H new ATOM 0 HB3 TYR A 93 4.311 -2.755 5.066 1.00 33.41 H new ATOM 0 HD1 TYR A 93 6.759 -1.507 5.498 1.00 62.51 H new ATOM 0 HD2 TYR A 93 3.482 0.063 3.272 1.00 64.51 H new ATOM 0 HE1 TYR A 93 7.582 0.772 5.898 1.00 22.14 H new ATOM 0 HE2 TYR A 93 4.303 2.343 3.670 1.00 30.54 H new ATOM 0 HH TYR A 93 5.780 3.617 4.728 1.00 52.43 H new ATOM 1308 N ARG A 94 5.200 -5.574 3.180 1.00 54.31 N ATOM 1309 CA ARG A 94 4.587 -6.793 2.669 1.00 44.43 C ATOM 1310 C ARG A 94 3.296 -7.109 3.418 1.00 42.31 C ATOM 1311 O ARG A 94 3.245 -7.039 4.646 1.00 0.03 O ATOM 1312 CB ARG A 94 5.559 -7.969 2.790 1.00 54.05 C ATOM 1313 CG ARG A 94 6.830 -7.795 1.974 1.00 20.12 C ATOM 1314 CD ARG A 94 8.071 -7.939 2.839 1.00 55.44 C ATOM 1315 NE ARG A 94 9.196 -8.497 2.094 1.00 53.42 N ATOM 1316 CZ ARG A 94 9.254 -9.760 1.684 1.00 43.03 C ATOM 1317 NH1 ARG A 94 8.254 -10.591 1.945 1.00 35.44 N ATOM 1318 NH2 ARG A 94 10.311 -10.193 1.009 1.00 0.03 N ATOM 0 H ARG A 94 5.923 -5.728 3.883 1.00 54.31 H new ATOM 0 HA ARG A 94 4.348 -6.634 1.618 1.00 44.43 H new ATOM 0 HB2 ARG A 94 5.826 -8.103 3.838 1.00 54.05 H new ATOM 0 HB3 ARG A 94 5.054 -8.881 2.471 1.00 54.05 H new ATOM 0 HG2 ARG A 94 6.855 -8.535 1.174 1.00 20.12 H new ATOM 0 HG3 ARG A 94 6.828 -6.814 1.500 1.00 20.12 H new ATOM 0 HD2 ARG A 94 8.349 -6.964 3.239 1.00 55.44 H new ATOM 0 HD3 ARG A 94 7.846 -8.581 3.691 1.00 55.44 H new ATOM 0 HE ARG A 94 9.981 -7.883 1.876 1.00 53.42 H new ATOM 0 HH11 ARG A 94 7.438 -10.261 2.461 1.00 35.44 H new ATOM 0 HH12 ARG A 94 8.300 -11.560 1.629 1.00 35.44 H new ATOM 0 HH21 ARG A 94 11.081 -9.556 0.804 1.00 0.03 H new ATOM 0 HH22 ARG A 94 10.354 -11.163 0.695 1.00 0.03 H new ATOM 1329 N VAL A 95 2.253 -7.454 2.669 1.00 2.54 N ATOM 1330 CA VAL A 95 0.962 -7.781 3.263 1.00 24.40 C ATOM 1331 C VAL A 95 0.531 -9.198 2.899 1.00 41.03 C ATOM 1332 O VAL A 95 0.673 -9.624 1.753 1.00 41.33 O ATOM 1333 CB VAL A 95 -0.130 -6.793 2.809 1.00 65.42 C ATOM 1334 CG1 VAL A 95 -1.503 -7.271 3.258 1.00 3.11 C ATOM 1335 CG2 VAL A 95 0.160 -5.398 3.343 1.00 43.50 C ATOM 0 H VAL A 95 2.277 -7.514 1.651 1.00 2.54 H new ATOM 0 HA VAL A 95 1.084 -7.708 4.344 1.00 24.40 H new ATOM 0 HB VAL A 95 -0.126 -6.748 1.720 1.00 65.42 H new ATOM 0 HG11 VAL A 95 -2.261 -6.561 2.928 1.00 3.11 H new ATOM 0 HG12 VAL A 95 -1.708 -8.249 2.823 1.00 3.11 H new ATOM 0 HG13 VAL A 95 -1.524 -7.346 4.345 1.00 3.11 H new ATOM 0 HG21 VAL A 95 -0.621 -4.713 3.013 1.00 43.50 H new ATOM 0 HG22 VAL A 95 0.184 -5.423 4.432 1.00 43.50 H new ATOM 0 HG23 VAL A 95 1.125 -5.058 2.966 1.00 43.50 H new ATOM 1345 N ARG A 96 0.005 -9.922 3.881 1.00 54.41 N ATOM 1346 CA ARG A 96 -0.444 -11.290 3.665 1.00 3.41 C ATOM 1347 C ARG A 96 -1.859 -11.489 4.200 1.00 1.34 C ATOM 1348 O ARG A 96 -2.161 -11.127 5.337 1.00 30.43 O ATOM 1349 CB ARG A 96 0.511 -12.277 4.340 1.00 45.01 C ATOM 1350 CG ARG A 96 0.899 -13.451 3.457 1.00 62.22 C ATOM 1351 CD ARG A 96 -0.247 -14.440 3.309 1.00 12.32 C ATOM 1352 NE ARG A 96 -0.562 -15.104 4.570 1.00 3.25 N ATOM 1353 CZ ARG A 96 0.129 -16.130 5.054 1.00 1.13 C ATOM 1354 NH1 ARG A 96 1.171 -16.607 4.384 1.00 22.45 N ATOM 1355 NH2 ARG A 96 -0.219 -16.682 6.209 1.00 24.25 N ATOM 0 H ARG A 96 -0.120 -9.583 4.835 1.00 54.41 H new ATOM 0 HA ARG A 96 -0.450 -11.478 2.591 1.00 3.41 H new ATOM 0 HB2 ARG A 96 1.414 -11.747 4.642 1.00 45.01 H new ATOM 0 HB3 ARG A 96 0.045 -12.656 5.249 1.00 45.01 H new ATOM 0 HG2 ARG A 96 1.195 -13.086 2.474 1.00 62.22 H new ATOM 0 HG3 ARG A 96 1.765 -13.957 3.883 1.00 62.22 H new ATOM 0 HD2 ARG A 96 -1.131 -13.918 2.943 1.00 12.32 H new ATOM 0 HD3 ARG A 96 0.014 -15.188 2.561 1.00 12.32 H new ATOM 0 HE ARG A 96 -1.357 -14.761 5.110 1.00 3.25 H new ATOM 0 HH11 ARG A 96 1.442 -16.186 3.496 1.00 22.45 H new ATOM 0 HH12 ARG A 96 1.700 -17.395 4.758 1.00 22.45 H new ATOM 0 HH21 ARG A 96 -1.019 -16.319 6.727 1.00 24.25 H new ATOM 0 HH22 ARG A 96 0.313 -17.470 6.579 1.00 24.25 H new ATOM 1366 N VAL A 97 -2.725 -12.068 3.372 1.00 13.00 N ATOM 1367 CA VAL A 97 -4.107 -12.315 3.763 1.00 75.33 C ATOM 1368 C VAL A 97 -4.274 -13.716 4.336 1.00 42.12 C ATOM 1369 O VAL A 97 -3.302 -14.457 4.488 1.00 2.40 O ATOM 1370 CB VAL A 97 -5.065 -12.144 2.568 1.00 35.53 C ATOM 1371 CG1 VAL A 97 -4.930 -10.752 1.971 1.00 61.12 C ATOM 1372 CG2 VAL A 97 -4.805 -13.212 1.519 1.00 41.35 C ATOM 0 H VAL A 97 -2.493 -12.374 2.427 1.00 13.00 H new ATOM 0 HA VAL A 97 -4.356 -11.581 4.529 1.00 75.33 H new ATOM 0 HB VAL A 97 -6.088 -12.262 2.925 1.00 35.53 H new ATOM 0 HG11 VAL A 97 -5.614 -10.650 1.128 1.00 61.12 H new ATOM 0 HG12 VAL A 97 -5.173 -10.006 2.728 1.00 61.12 H new ATOM 0 HG13 VAL A 97 -3.906 -10.601 1.628 1.00 61.12 H new ATOM 0 HG21 VAL A 97 -5.491 -13.075 0.683 1.00 41.35 H new ATOM 0 HG22 VAL A 97 -3.778 -13.130 1.163 1.00 41.35 H new ATOM 0 HG23 VAL A 97 -4.959 -14.198 1.957 1.00 41.35 H new ATOM 1382 N TYR A 98 -5.513 -14.076 4.655 1.00 41.10 N ATOM 1383 CA TYR A 98 -5.806 -15.389 5.215 1.00 25.12 C ATOM 1384 C TYR A 98 -5.509 -16.493 4.203 1.00 31.43 C ATOM 1385 O TYR A 98 -4.487 -17.172 4.292 1.00 2.13 O ATOM 1386 CB TYR A 98 -7.271 -15.464 5.652 1.00 10.12 C ATOM 1387 CG TYR A 98 -7.659 -16.800 6.243 1.00 5.24 C ATOM 1388 CD1 TYR A 98 -6.764 -17.523 7.024 1.00 62.30 C ATOM 1389 CD2 TYR A 98 -8.919 -17.341 6.022 1.00 45.33 C ATOM 1390 CE1 TYR A 98 -7.115 -18.744 7.566 1.00 1.11 C ATOM 1391 CE2 TYR A 98 -9.278 -18.562 6.562 1.00 32.41 C ATOM 1392 CZ TYR A 98 -8.372 -19.259 7.333 1.00 4.11 C ATOM 1393 OH TYR A 98 -8.725 -20.476 7.871 1.00 71.42 O ATOM 0 H TYR A 98 -6.330 -13.477 4.535 1.00 41.10 H new ATOM 0 HA TYR A 98 -5.165 -15.536 6.084 1.00 25.12 H new ATOM 0 HB2 TYR A 98 -7.463 -14.682 6.387 1.00 10.12 H new ATOM 0 HB3 TYR A 98 -7.909 -15.257 4.793 1.00 10.12 H new ATOM 0 HD1 TYR A 98 -5.778 -17.123 7.210 1.00 62.30 H new ATOM 0 HD2 TYR A 98 -9.631 -16.798 5.418 1.00 45.33 H new ATOM 0 HE1 TYR A 98 -6.407 -19.293 8.170 1.00 1.11 H new ATOM 0 HE2 TYR A 98 -10.262 -18.968 6.381 1.00 32.41 H new ATOM 0 HH TYR A 98 -9.645 -20.694 7.612 1.00 71.42 H new ATOM 1402 N GLN A 99 -6.412 -16.664 3.242 1.00 32.11 N ATOM 1403 CA GLN A 99 -6.247 -17.683 2.213 1.00 3.44 C ATOM 1404 C GLN A 99 -5.062 -17.359 1.310 1.00 72.23 C ATOM 1405 O GLN A 99 -4.834 -16.199 0.962 1.00 53.22 O ATOM 1406 CB GLN A 99 -7.521 -17.806 1.378 1.00 65.21 C ATOM 1407 CG GLN A 99 -8.324 -19.064 1.672 1.00 74.23 C ATOM 1408 CD GLN A 99 -8.685 -19.197 3.138 1.00 31.31 C ATOM 1409 OE1 GLN A 99 -7.839 -19.881 3.898 1.00 5.31 O flip ATOM 1410 NE2 GLN A 99 -9.714 -18.687 3.583 1.00 12.31 N flip ATOM 0 H GLN A 99 -7.264 -16.110 3.155 1.00 32.11 H new ATOM 0 HA GLN A 99 -6.053 -18.634 2.708 1.00 3.44 H new ATOM 0 HB2 GLN A 99 -8.149 -16.934 1.559 1.00 65.21 H new ATOM 0 HB3 GLN A 99 -7.255 -17.794 0.321 1.00 65.21 H new ATOM 0 HG2 GLN A 99 -9.237 -19.055 1.076 1.00 74.23 H new ATOM 0 HG3 GLN A 99 -7.750 -19.937 1.362 1.00 74.23 H new ATOM 0 HE21 GLN A 99 -10.336 -18.169 2.962 1.00 12.31 H new ATOM 0 HE22 GLN A 99 -9.944 -18.782 4.572 1.00 12.31 H new ATOM 1417 N ILE A 100 -4.312 -18.388 0.934 1.00 52.35 N ATOM 1418 CA ILE A 100 -3.151 -18.212 0.070 1.00 72.23 C ATOM 1419 C ILE A 100 -3.291 -19.023 -1.213 1.00 25.31 C ATOM 1420 O ILE A 100 -4.060 -19.981 -1.290 1.00 23.25 O ATOM 1421 CB ILE A 100 -1.850 -18.622 0.784 1.00 52.44 C ATOM 1422 CG1 ILE A 100 -2.151 -19.619 1.906 1.00 72.22 C ATOM 1423 CG2 ILE A 100 -1.137 -17.396 1.335 1.00 0.25 C ATOM 1424 CD1 ILE A 100 -0.910 -20.172 2.573 1.00 23.40 C ATOM 0 H ILE A 100 -4.487 -19.353 1.214 1.00 52.35 H new ATOM 0 HA ILE A 100 -3.101 -17.152 -0.178 1.00 72.23 H new ATOM 0 HB ILE A 100 -1.193 -19.104 0.060 1.00 52.44 H new ATOM 0 HG12 ILE A 100 -2.771 -19.131 2.658 1.00 72.22 H new ATOM 0 HG13 ILE A 100 -2.734 -20.445 1.500 1.00 72.22 H new ATOM 0 HG21 ILE A 100 -0.219 -17.704 1.837 1.00 0.25 H new ATOM 0 HG22 ILE A 100 -0.894 -16.718 0.517 1.00 0.25 H new ATOM 0 HG23 ILE A 100 -1.786 -16.887 2.047 1.00 0.25 H new ATOM 0 HD11 ILE A 100 -1.199 -20.871 3.357 1.00 23.40 H new ATOM 0 HD12 ILE A 100 -0.299 -20.689 1.833 1.00 23.40 H new ATOM 0 HD13 ILE A 100 -0.336 -19.354 3.009 1.00 23.40 H new ATOM 1435 N PRO A 101 -2.529 -18.636 -2.246 1.00 22.42 N ATOM 1436 CA PRO A 101 -2.548 -19.315 -3.544 1.00 42.53 C ATOM 1437 C PRO A 101 -1.925 -20.705 -3.480 1.00 40.01 C ATOM 1438 O PRO A 101 -0.818 -20.877 -2.973 1.00 51.32 O ATOM 1439 CB PRO A 101 -1.715 -18.396 -4.440 1.00 12.34 C ATOM 1440 CG PRO A 101 -0.811 -17.673 -3.500 1.00 61.15 C ATOM 1441 CD PRO A 101 -1.588 -17.502 -2.226 1.00 20.21 C ATOM 0 HA PRO A 101 -3.564 -19.475 -3.904 1.00 42.53 H new ATOM 0 HB2 PRO A 101 -1.148 -18.967 -5.175 1.00 12.34 H new ATOM 0 HB3 PRO A 101 -2.348 -17.702 -4.994 1.00 12.34 H new ATOM 0 HG2 PRO A 101 0.104 -18.239 -3.326 1.00 61.15 H new ATOM 0 HG3 PRO A 101 -0.515 -16.707 -3.909 1.00 61.15 H new ATOM 0 HD2 PRO A 101 -0.938 -17.534 -1.351 1.00 20.21 H new ATOM 0 HD3 PRO A 101 -2.111 -16.546 -2.199 1.00 20.21 H new ATOM 1446 N GLY A 102 -2.645 -21.696 -4.000 1.00 11.53 N ATOM 1447 CA GLY A 102 -2.144 -23.059 -3.991 1.00 23.13 C ATOM 1448 C GLY A 102 -2.687 -23.882 -5.141 1.00 50.11 C ATOM 1449 O GLY A 102 -2.649 -25.112 -5.108 1.00 0.22 O ATOM 0 H GLY A 102 -3.564 -21.579 -4.426 1.00 11.53 H new ATOM 0 HA2 GLY A 102 -1.055 -23.043 -4.041 1.00 23.13 H new ATOM 0 HA3 GLY A 102 -2.413 -23.536 -3.048 1.00 23.13 H new ATOM 1453 N LYS A 103 -3.194 -23.204 -6.165 1.00 1.41 N ATOM 1454 CA LYS A 103 -3.748 -23.879 -7.333 1.00 60.02 C ATOM 1455 C LYS A 103 -2.635 -24.385 -8.246 1.00 60.32 C ATOM 1456 O LYS A 103 -1.645 -23.700 -8.496 1.00 35.25 O ATOM 1457 CB LYS A 103 -4.667 -22.932 -8.108 1.00 11.33 C ATOM 1458 CG LYS A 103 -5.180 -23.515 -9.412 1.00 74.45 C ATOM 1459 CD LYS A 103 -5.885 -22.464 -10.254 1.00 54.01 C ATOM 1460 CE LYS A 103 -4.904 -21.701 -11.132 1.00 10.50 C ATOM 1461 NZ LYS A 103 -5.430 -20.362 -11.514 1.00 74.44 N ATOM 0 H LYS A 103 -3.233 -22.186 -6.210 1.00 1.41 H new ATOM 0 HA LYS A 103 -4.328 -24.734 -6.987 1.00 60.02 H new ATOM 0 HB2 LYS A 103 -5.517 -22.668 -7.479 1.00 11.33 H new ATOM 0 HB3 LYS A 103 -4.128 -22.009 -8.320 1.00 11.33 H new ATOM 0 HG2 LYS A 103 -4.347 -23.936 -9.976 1.00 74.45 H new ATOM 0 HG3 LYS A 103 -5.868 -24.334 -9.200 1.00 74.45 H new ATOM 0 HD2 LYS A 103 -6.638 -22.943 -10.880 1.00 54.01 H new ATOM 0 HD3 LYS A 103 -6.410 -21.766 -9.602 1.00 54.01 H new ATOM 0 HE2 LYS A 103 -3.959 -21.583 -10.603 1.00 10.50 H new ATOM 0 HE3 LYS A 103 -4.695 -22.280 -12.032 1.00 10.50 H new ATOM 0 HZ1 LYS A 103 -4.733 -19.873 -12.112 1.00 74.44 H new ATOM 0 HZ2 LYS A 103 -6.319 -20.476 -12.041 1.00 74.44 H new ATOM 0 HZ3 LYS A 103 -5.605 -19.800 -10.656 1.00 74.44 H new ATOM 1471 N PRO A 104 -2.803 -25.614 -8.758 1.00 43.11 N ATOM 1472 CA PRO A 104 -1.825 -26.237 -9.654 1.00 14.43 C ATOM 1473 C PRO A 104 -1.780 -25.567 -11.022 1.00 62.52 C ATOM 1474 O PRO A 104 -2.636 -25.811 -11.871 1.00 20.01 O ATOM 1475 CB PRO A 104 -2.327 -27.677 -9.780 1.00 64.04 C ATOM 1476 CG PRO A 104 -3.789 -27.594 -9.507 1.00 22.20 C ATOM 1477 CD PRO A 104 -3.960 -26.487 -8.504 1.00 33.24 C ATOM 0 HA PRO A 104 -0.809 -26.157 -9.266 1.00 14.43 H new ATOM 0 HB2 PRO A 104 -2.132 -28.079 -10.774 1.00 64.04 H new ATOM 0 HB3 PRO A 104 -1.828 -28.334 -9.068 1.00 64.04 H new ATOM 0 HG2 PRO A 104 -4.345 -27.383 -10.420 1.00 22.20 H new ATOM 0 HG3 PRO A 104 -4.167 -28.538 -9.115 1.00 22.20 H new ATOM 0 HD2 PRO A 104 -4.902 -25.957 -8.647 1.00 33.24 H new ATOM 0 HD3 PRO A 104 -3.960 -26.867 -7.482 1.00 33.24 H new ATOM 1482 N GLU A 105 -0.775 -24.720 -11.228 1.00 31.23 N ATOM 1483 CA GLU A 105 -0.621 -24.013 -12.495 1.00 62.10 C ATOM 1484 C GLU A 105 -0.317 -24.988 -13.628 1.00 32.41 C ATOM 1485 O GLU A 105 0.106 -26.119 -13.392 1.00 53.31 O ATOM 1486 CB GLU A 105 0.494 -22.972 -12.390 1.00 72.34 C ATOM 1487 CG GLU A 105 0.015 -21.612 -11.912 1.00 74.22 C ATOM 1488 CD GLU A 105 1.123 -20.789 -11.284 1.00 43.33 C ATOM 1489 OE1 GLU A 105 1.339 -20.919 -10.061 1.00 62.21 O ATOM 1490 OE2 GLU A 105 1.777 -20.015 -12.016 1.00 44.22 O ATOM 0 H GLU A 105 -0.057 -24.507 -10.535 1.00 31.23 H new ATOM 0 HA GLU A 105 -1.561 -23.507 -12.717 1.00 62.10 H new ATOM 0 HB2 GLU A 105 1.259 -23.339 -11.706 1.00 72.34 H new ATOM 0 HB3 GLU A 105 0.967 -22.859 -13.366 1.00 72.34 H new ATOM 0 HG2 GLU A 105 -0.407 -21.063 -12.754 1.00 74.22 H new ATOM 0 HG3 GLU A 105 -0.787 -21.748 -11.186 1.00 74.22 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 8.510 -13.668 -6.892 1.00 32.30 N ATOM 1497 CA ASP B 1 8.892 -12.279 -6.660 1.00 4.12 C ATOM 1498 C ASP B 1 7.718 -11.478 -6.105 1.00 62.14 C ATOM 1499 O ASP B 1 6.575 -11.667 -6.519 1.00 4.11 O ATOM 1500 CB ASP B 1 9.392 -11.642 -7.956 1.00 71.35 C ATOM 1501 CG ASP B 1 10.804 -12.070 -8.306 1.00 33.14 C ATOM 1502 OD1 ASP B 1 11.728 -11.758 -7.527 1.00 13.42 O ATOM 1503 OD2 ASP B 1 10.984 -12.718 -9.358 1.00 13.44 O ATOM 0 H1 ASP B 1 8.935 -14.001 -7.781 1.00 32.30 H new ATOM 0 H2 ASP B 1 8.848 -14.257 -6.104 1.00 32.30 H new ATOM 0 H3 ASP B 1 7.474 -13.737 -6.957 1.00 32.30 H new ATOM 0 HA ASP B 1 9.697 -12.267 -5.925 1.00 4.12 H new ATOM 0 HB2 ASP B 1 8.721 -11.911 -8.772 1.00 71.35 H new ATOM 0 HB3 ASP B 1 9.358 -10.557 -7.860 1.00 71.35 H new ATOM 1507 N GLU B 2 8.009 -10.584 -5.166 1.00 54.44 N ATOM 1508 CA GLU B 2 6.977 -9.757 -4.553 1.00 34.31 C ATOM 1509 C GLU B 2 7.438 -8.305 -4.443 1.00 24.42 C ATOM 1510 O GLU B 2 7.586 -7.772 -3.344 1.00 72.43 O ATOM 1511 CB GLU B 2 6.616 -10.295 -3.167 1.00 21.33 C ATOM 1512 CG GLU B 2 7.795 -10.353 -2.211 1.00 34.11 C ATOM 1513 CD GLU B 2 8.295 -11.768 -1.986 1.00 74.42 C ATOM 1514 OE1 GLU B 2 7.578 -12.553 -1.332 1.00 22.20 O ATOM 1515 OE2 GLU B 2 9.402 -12.089 -2.466 1.00 52.11 O ATOM 0 H GLU B 2 8.951 -10.414 -4.813 1.00 54.44 H new ATOM 0 HA GLU B 2 6.093 -9.793 -5.190 1.00 34.31 H new ATOM 0 HB2 GLU B 2 5.838 -9.666 -2.734 1.00 21.33 H new ATOM 0 HB3 GLU B 2 6.195 -11.295 -3.273 1.00 21.33 H new ATOM 0 HG2 GLU B 2 8.608 -9.743 -2.605 1.00 34.11 H new ATOM 0 HG3 GLU B 2 7.504 -9.918 -1.255 1.00 34.11 H new ATOM 1520 N PHE B 3 7.661 -7.673 -5.590 1.00 41.23 N ATOM 1521 CA PHE B 3 8.106 -6.285 -5.624 1.00 70.34 C ATOM 1522 C PHE B 3 9.513 -6.150 -5.047 1.00 3.24 C ATOM 1523 O PHE B 3 10.165 -7.129 -4.935 1.00 4.12 O ATOM 1524 CB PHE B 3 7.135 -5.397 -4.844 1.00 51.31 C ATOM 1525 CG PHE B 3 6.631 -4.223 -5.633 1.00 23.24 C ATOM 1526 CD1 PHE B 3 7.484 -3.502 -6.451 1.00 20.52 C ATOM 1527 CD2 PHE B 3 5.300 -3.840 -5.555 1.00 62.55 C ATOM 1528 CE1 PHE B 3 7.022 -2.421 -7.179 1.00 14.50 C ATOM 1529 CE2 PHE B 3 4.833 -2.760 -6.281 1.00 43.33 C ATOM 1530 CZ PHE B 3 5.695 -2.050 -7.093 1.00 32.21 C ATOM 0 H PHE B 3 7.541 -8.100 -6.509 1.00 41.23 H new ATOM 0 HA PHE B 3 8.127 -5.962 -6.665 1.00 70.34 H new ATOM 0 HB2 PHE B 3 6.286 -5.998 -4.520 1.00 51.31 H new ATOM 0 HB3 PHE B 3 7.631 -5.034 -3.944 1.00 51.31 H new ATOM 0 HD1 PHE B 3 8.523 -3.787 -6.521 1.00 20.52 H new ATOM 0 HD2 PHE B 3 4.622 -4.391 -4.921 1.00 62.55 H new ATOM 0 HE1 PHE B 3 7.698 -1.868 -7.814 1.00 14.50 H new ATOM 0 HE2 PHE B 3 3.794 -2.472 -6.213 1.00 43.33 H new ATOM 0 HZ PHE B 3 5.332 -1.206 -7.660 1.00 32.21 H new HETATM 1539 N MCL B 4 9.870 -4.995 -4.732 1.00 51.24 N HETATM 1540 CA MCL B 4 11.185 -4.700 -4.174 1.00 54.10 C HETATM 1541 CB MCL B 4 11.252 -3.220 -3.736 1.00 52.55 C HETATM 1542 CG MCL B 4 12.690 -2.689 -3.917 1.00 43.52 C HETATM 1543 CD MCL B 4 13.153 -1.993 -2.620 1.00 13.42 C HETATM 1544 CE MCL B 4 13.186 -3.019 -1.467 1.00 11.33 C HETATM 1545 NZ MCL B 4 12.382 -2.525 -0.341 1.00 35.44 N HETATM 1546 CX1 MCL B 4 13.120 -1.388 0.348 1.00 11.35 C HETATM 1547 C1 MCL B 4 13.948 -1.949 1.520 1.00 65.33 C HETATM 1548 CX2 MCL B 4 12.223 -0.244 0.857 1.00 43.41 C HETATM 1549 O1 MCL B 4 13.059 0.755 1.599 1.00 1.51 O HETATM 1550 O2 MCL B 4 11.559 0.426 -0.311 1.00 74.34 O HETATM 1551 C MCL B 4 11.382 -5.579 -2.991 1.00 13.54 C HETATM 1552 O MCL B 4 12.482 -6.070 -2.739 1.00 54.23 O HETATM 0 HZ MCL B 4 11.470 -2.888 -0.064 1.00 35.44 H new HETATM 0 HX1 MCL B 4 13.757 -0.945 -0.418 1.00 11.35 H new HETATM 0 HO1 MCL B 4 12.489 1.484 1.921 1.00 1.51 H new HETATM 0 HG3 MCL B 4 13.364 -3.511 -4.161 1.00 43.52 H new HETATM 0 HG2 MCL B 4 12.727 -1.988 -4.751 1.00 43.52 H new HETATM 0 HE3 MCL B 4 12.798 -3.978 -1.810 1.00 11.33 H new HETATM 0 HE2 MCL B 4 14.214 -3.187 -1.146 1.00 11.33 H new HETATM 0 HD3 MCL B 4 14.142 -1.558 -2.762 1.00 13.42 H new HETATM 0 HD2 MCL B 4 12.477 -1.174 -2.373 1.00 13.42 H new HETATM 0 HB3 MCL B 4 10.557 -2.624 -4.327 1.00 52.55 H new HETATM 0 HB2 MCL B 4 10.947 -3.125 -2.694 1.00 52.55 H new HETATM 0 HA MCL B 4 11.961 -4.876 -4.919 1.00 54.10 H new HETATM 0 H13 MCL B 4 13.284 -2.436 2.234 1.00 65.33 H new HETATM 0 H12 MCL B 4 14.669 -2.674 1.142 1.00 65.33 H new HETATM 0 H11 MCL B 4 14.477 -1.134 2.014 1.00 65.33 H new HETATM 0 H MCL B 4 9.162 -4.263 -4.783 1.00 51.24 H new ATOM 1568 N ALA B 5 10.306 -5.792 -2.240 1.00 51.22 N ATOM 1569 CA ALA B 5 10.357 -6.635 -1.053 1.00 24.45 C ATOM 1570 C ALA B 5 11.096 -7.938 -1.335 1.00 43.43 C ATOM 1571 O ALA B 5 11.012 -8.485 -2.436 1.00 21.33 O ATOM 1572 CB ALA B 5 8.950 -6.922 -0.548 1.00 62.13 C ATOM 0 H ALA B 5 9.388 -5.392 -2.433 1.00 51.22 H new ATOM 0 HA ALA B 5 10.906 -6.097 -0.280 1.00 24.45 H new ATOM 0 HB1 ALA B 5 9.004 -7.553 0.339 1.00 62.13 H new ATOM 0 HB2 ALA B 5 8.455 -5.984 -0.297 1.00 62.13 H new ATOM 0 HB3 ALA B 5 8.382 -7.435 -1.324 1.00 62.13 H new ATOM 1578 N ASP B 6 11.819 -8.431 -0.336 1.00 50.10 N ATOM 1579 CA ASP B 6 12.573 -9.672 -0.477 1.00 74.34 C ATOM 1580 C ASP B 6 12.886 -10.275 0.889 1.00 41.31 C ATOM 1581 O ASP B 6 13.650 -9.707 1.669 1.00 44.01 O ATOM 1582 CB ASP B 6 13.870 -9.421 -1.247 1.00 75.54 C ATOM 1583 CG ASP B 6 14.671 -10.689 -1.464 1.00 71.24 C ATOM 1584 OD1 ASP B 6 14.203 -11.563 -2.224 1.00 55.04 O ATOM 1585 OD2 ASP B 6 15.764 -10.811 -0.873 1.00 1.04 O ATOM 0 H ASP B 6 11.899 -7.991 0.581 1.00 50.10 H new ATOM 0 HA ASP B 6 11.960 -10.380 -1.035 1.00 74.34 H new ATOM 0 HB2 ASP B 6 13.635 -8.974 -2.213 1.00 75.54 H new ATOM 0 HB3 ASP B 6 14.479 -8.700 -0.702 1.00 75.54 H new ATOM 1589 N GLU B 7 12.291 -11.431 1.170 1.00 51.24 N ATOM 1590 CA GLU B 7 12.507 -12.110 2.441 1.00 11.35 C ATOM 1591 C GLU B 7 13.002 -13.537 2.220 1.00 24.32 C ATOM 1592 O GLU B 7 13.559 -14.157 3.125 1.00 55.24 O ATOM 1593 CB GLU B 7 11.214 -12.129 3.259 1.00 14.54 C ATOM 1594 CG GLU B 7 11.005 -10.877 4.097 1.00 41.33 C ATOM 1595 CD GLU B 7 11.700 -10.954 5.443 1.00 23.13 C ATOM 1596 OE1 GLU B 7 12.904 -10.630 5.508 1.00 31.20 O ATOM 1597 OE2 GLU B 7 11.039 -11.337 6.431 1.00 73.30 O ATOM 0 H GLU B 7 11.657 -11.915 0.535 1.00 51.24 H new ATOM 0 HA GLU B 7 13.271 -11.561 2.992 1.00 11.35 H new ATOM 0 HB2 GLU B 7 10.368 -12.249 2.583 1.00 14.54 H new ATOM 0 HB3 GLU B 7 11.222 -12.999 3.916 1.00 14.54 H new ATOM 0 HG2 GLU B 7 11.377 -10.011 3.549 1.00 41.33 H new ATOM 0 HG3 GLU B 7 9.937 -10.722 4.252 1.00 41.33 H new TER 1602 GLU B 7