USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=20 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 80 GLN : amide:sc= 0.276 K(o=0.56,f=-2.2) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 170:sc= 0.287 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 174:sc= -0.0896 (180deg=-0.159) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.061) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.158 F(o=-1.1,f=-0.16) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 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 X(o=0,f=-0.071) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.02 F(o=-1.8,f=-1) 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+ 141:sc= -2.17 (180deg=-5.19!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.099) USER MOD Single : A 54 SER OG : rot -160:sc= -1.57 USER MOD Single : A 61 ASN : amide:sc= -2.08 K(o=-2.1,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 82 MET CE :methyl -149:sc= -0.349 (180deg=-1.23) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 113:sc= 0 USER MOD Single : A 91 SER OG : rot 110:sc= -0.854 USER MOD Single : A 92 ASN : amide:sc= -5.38 K(o=-5.4,f=-8.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0354 F(o=-0.77,f=-0.035) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ -131:sc= 0.26 (180deg=0.00625) USER MOD Single : B 4 MCL O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.223 1.424 8.037 1.00 43.54 N ATOM 2 CA GLY A 1 9.327 0.768 7.103 1.00 31.31 C ATOM 3 C GLY A 1 10.063 -0.119 6.118 1.00 3.22 C ATOM 4 O GLY A 1 9.512 -0.507 5.089 1.00 30.11 O ATOM 0 H1 GLY A 1 9.685 2.095 8.622 1.00 43.54 H new ATOM 0 H2 GLY A 1 10.669 0.711 8.649 1.00 43.54 H new ATOM 0 H3 GLY A 1 10.959 1.937 7.510 1.00 43.54 H new ATOM 0 HA2 GLY A 1 8.605 0.169 7.657 1.00 31.31 H new ATOM 0 HA3 GLY A 1 8.762 1.522 6.556 1.00 31.31 H new ATOM 8 N SER A 2 11.315 -0.439 6.434 1.00 54.42 N ATOM 9 CA SER A 2 12.130 -1.281 5.567 1.00 74.25 C ATOM 10 C SER A 2 11.546 -2.687 5.468 1.00 31.43 C ATOM 11 O SER A 2 11.847 -3.554 6.286 1.00 42.42 O ATOM 12 CB SER A 2 13.566 -1.348 6.090 1.00 15.31 C ATOM 13 OG SER A 2 14.107 -0.050 6.266 1.00 2.34 O ATOM 0 H SER A 2 11.786 -0.128 7.284 1.00 54.42 H new ATOM 0 HA SER A 2 12.134 -0.838 4.571 1.00 74.25 H new ATOM 0 HB2 SER A 2 13.586 -1.885 7.038 1.00 15.31 H new ATOM 0 HB3 SER A 2 14.185 -1.911 5.391 1.00 15.31 H new ATOM 0 HG SER A 2 15.025 -0.121 6.603 1.00 2.34 H new ATOM 18 N ALA A 3 10.707 -2.903 4.460 1.00 30.45 N ATOM 19 CA ALA A 3 10.081 -4.202 4.253 1.00 30.11 C ATOM 20 C ALA A 3 9.409 -4.698 5.529 1.00 44.14 C ATOM 21 O ALA A 3 9.915 -5.600 6.197 1.00 60.22 O ATOM 22 CB ALA A 3 11.111 -5.213 3.769 1.00 21.54 C ATOM 0 H ALA A 3 10.446 -2.195 3.774 1.00 30.45 H new ATOM 0 HA ALA A 3 9.312 -4.089 3.489 1.00 30.11 H new ATOM 0 HB1 ALA A 3 10.630 -6.179 3.618 1.00 21.54 H new ATOM 0 HB2 ALA A 3 11.542 -4.872 2.828 1.00 21.54 H new ATOM 0 HB3 ALA A 3 11.900 -5.313 4.514 1.00 21.54 H new ATOM 28 N GLN A 4 8.267 -4.103 5.862 1.00 40.23 N ATOM 29 CA GLN A 4 7.529 -4.484 7.060 1.00 70.43 C ATOM 30 C GLN A 4 6.472 -5.534 6.735 1.00 23.52 C ATOM 31 O GLN A 4 5.715 -5.391 5.774 1.00 11.33 O ATOM 32 CB GLN A 4 6.869 -3.257 7.689 1.00 30.45 C ATOM 33 CG GLN A 4 7.314 -2.993 9.118 1.00 3.50 C ATOM 34 CD GLN A 4 6.526 -1.879 9.780 1.00 70.12 C ATOM 35 OE1 GLN A 4 7.083 -0.848 10.158 1.00 54.41 O ATOM 36 NE2 GLN A 4 5.222 -2.081 9.923 1.00 23.12 N ATOM 0 H GLN A 4 7.834 -3.356 5.319 1.00 40.23 H new ATOM 0 HA GLN A 4 8.235 -4.912 7.771 1.00 70.43 H new ATOM 0 HB2 GLN A 4 7.093 -2.382 7.080 1.00 30.45 H new ATOM 0 HB3 GLN A 4 5.787 -3.388 7.672 1.00 30.45 H new ATOM 0 HG2 GLN A 4 7.205 -3.906 9.703 1.00 3.50 H new ATOM 0 HG3 GLN A 4 8.373 -2.736 9.123 1.00 3.50 H new ATOM 0 HE21 GLN A 4 4.802 -2.951 9.595 1.00 23.12 H new ATOM 0 HE22 GLN A 4 4.640 -1.367 10.361 1.00 23.12 H new ATOM 43 N ASN A 5 6.424 -6.589 7.541 1.00 1.23 N ATOM 44 CA ASN A 5 5.459 -7.664 7.339 1.00 0.20 C ATOM 45 C ASN A 5 4.171 -7.389 8.108 1.00 12.35 C ATOM 46 O ASN A 5 4.183 -7.258 9.333 1.00 73.40 O ATOM 47 CB ASN A 5 6.055 -9.002 7.780 1.00 14.12 C ATOM 48 CG ASN A 5 6.717 -8.919 9.143 1.00 1.15 C ATOM 49 OD1 ASN A 5 7.975 -8.496 9.165 1.00 71.01 O flip ATOM 50 ND2 ASN A 5 6.103 -9.232 10.163 1.00 53.33 N flip ATOM 0 H ASN A 5 7.042 -6.723 8.341 1.00 1.23 H new ATOM 0 HA ASN A 5 5.223 -7.713 6.276 1.00 0.20 H new ATOM 0 HB2 ASN A 5 5.268 -9.756 7.806 1.00 14.12 H new ATOM 0 HB3 ASN A 5 6.787 -9.331 7.043 1.00 14.12 H new ATOM 0 HD21 ASN A 5 5.137 -9.552 10.099 1.00 53.33 H new ATOM 0 HD22 ASN A 5 6.561 -9.171 11.073 1.00 53.33 H new ATOM 56 N ILE A 6 3.061 -7.306 7.383 1.00 42.34 N ATOM 57 CA ILE A 6 1.764 -7.050 7.997 1.00 33.12 C ATOM 58 C ILE A 6 0.751 -8.122 7.610 1.00 65.11 C ATOM 59 O ILE A 6 0.485 -8.343 6.428 1.00 54.15 O ATOM 60 CB ILE A 6 1.213 -5.670 7.595 1.00 52.13 C ATOM 61 CG1 ILE A 6 2.095 -4.558 8.168 1.00 4.30 C ATOM 62 CG2 ILE A 6 -0.223 -5.513 8.071 1.00 62.30 C ATOM 63 CD1 ILE A 6 3.249 -4.176 7.268 1.00 1.31 C ATOM 0 H ILE A 6 3.034 -7.412 6.369 1.00 42.34 H new ATOM 0 HA ILE A 6 1.917 -7.071 9.076 1.00 33.12 H new ATOM 0 HB ILE A 6 1.224 -5.593 6.508 1.00 52.13 H new ATOM 0 HG12 ILE A 6 1.481 -3.676 8.351 1.00 4.30 H new ATOM 0 HG13 ILE A 6 2.488 -4.878 9.133 1.00 4.30 H new ATOM 0 HG21 ILE A 6 -0.598 -4.532 7.779 1.00 62.30 H new ATOM 0 HG22 ILE A 6 -0.843 -6.288 7.619 1.00 62.30 H new ATOM 0 HG23 ILE A 6 -0.259 -5.607 9.156 1.00 62.30 H new ATOM 0 HD11 ILE A 6 3.830 -3.383 7.738 1.00 1.31 H new ATOM 0 HD12 ILE A 6 3.886 -5.045 7.105 1.00 1.31 H new ATOM 0 HD13 ILE A 6 2.863 -3.824 6.311 1.00 1.31 H new ATOM 74 N THR A 7 0.185 -8.785 8.614 1.00 31.12 N ATOM 75 CA THR A 7 -0.799 -9.834 8.379 1.00 24.30 C ATOM 76 C THR A 7 -2.219 -9.286 8.474 1.00 75.30 C ATOM 77 O THR A 7 -2.510 -8.431 9.310 1.00 55.10 O ATOM 78 CB THR A 7 -0.639 -10.989 9.384 1.00 4.44 C ATOM 79 OG1 THR A 7 -0.407 -10.469 10.698 1.00 60.32 O ATOM 80 CG2 THR A 7 0.512 -11.900 8.982 1.00 33.32 C ATOM 0 H THR A 7 0.392 -8.614 9.598 1.00 31.12 H new ATOM 0 HA THR A 7 -0.624 -10.212 7.372 1.00 24.30 H new ATOM 0 HB THR A 7 -1.560 -11.571 9.383 1.00 4.44 H new ATOM 0 HG1 THR A 7 -0.308 -11.211 11.331 1.00 60.32 H new ATOM 0 HG21 THR A 7 0.606 -12.709 9.707 1.00 33.32 H new ATOM 0 HG22 THR A 7 0.317 -12.318 7.995 1.00 33.32 H new ATOM 0 HG23 THR A 7 1.438 -11.326 8.956 1.00 33.32 H new ATOM 88 N ALA A 8 -3.099 -9.783 7.612 1.00 33.13 N ATOM 89 CA ALA A 8 -4.489 -9.345 7.601 1.00 51.54 C ATOM 90 C ALA A 8 -5.420 -10.481 7.187 1.00 53.33 C ATOM 91 O ALA A 8 -4.969 -11.516 6.694 1.00 24.14 O ATOM 92 CB ALA A 8 -4.660 -8.154 6.670 1.00 65.02 C ATOM 0 H ALA A 8 -2.874 -10.490 6.912 1.00 33.13 H new ATOM 0 HA ALA A 8 -4.756 -9.042 8.613 1.00 51.54 H new ATOM 0 HB1 ALA A 8 -5.703 -7.838 6.672 1.00 65.02 H new ATOM 0 HB2 ALA A 8 -4.031 -7.332 7.011 1.00 65.02 H new ATOM 0 HB3 ALA A 8 -4.369 -8.438 5.659 1.00 65.02 H new ATOM 98 N ARG A 9 -6.717 -10.279 7.389 1.00 2.13 N ATOM 99 CA ARG A 9 -7.710 -11.288 7.040 1.00 65.41 C ATOM 100 C ARG A 9 -8.688 -10.751 5.999 1.00 35.12 C ATOM 101 O ARG A 9 -8.971 -9.552 5.960 1.00 60.01 O ATOM 102 CB ARG A 9 -8.474 -11.737 8.286 1.00 10.21 C ATOM 103 CG ARG A 9 -8.054 -13.105 8.798 1.00 41.21 C ATOM 104 CD ARG A 9 -7.555 -13.035 10.233 1.00 35.31 C ATOM 105 NE ARG A 9 -7.341 -14.362 10.804 1.00 40.23 N ATOM 106 CZ ARG A 9 -6.350 -15.169 10.438 1.00 20.12 C ATOM 107 NH1 ARG A 9 -5.488 -14.785 9.506 1.00 10.14 N ATOM 108 NH2 ARG A 9 -6.221 -16.362 11.004 1.00 30.32 N ATOM 0 H ARG A 9 -7.105 -9.426 7.792 1.00 2.13 H new ATOM 0 HA ARG A 9 -7.186 -12.144 6.615 1.00 65.41 H new ATOM 0 HB2 ARG A 9 -8.327 -11.002 9.077 1.00 10.21 H new ATOM 0 HB3 ARG A 9 -9.540 -11.754 8.061 1.00 10.21 H new ATOM 0 HG2 ARG A 9 -8.898 -13.792 8.739 1.00 41.21 H new ATOM 0 HG3 ARG A 9 -7.269 -13.509 8.158 1.00 41.21 H new ATOM 0 HD2 ARG A 9 -6.622 -12.472 10.265 1.00 35.31 H new ATOM 0 HD3 ARG A 9 -8.277 -12.491 10.842 1.00 35.31 H new ATOM 0 HE ARG A 9 -7.987 -14.687 11.523 1.00 40.23 H new ATOM 0 HH11 ARG A 9 -5.585 -13.869 9.068 1.00 10.14 H new ATOM 0 HH12 ARG A 9 -4.728 -15.406 9.227 1.00 10.14 H new ATOM 0 HH21 ARG A 9 -6.883 -16.661 11.721 1.00 30.32 H new ATOM 0 HH22 ARG A 9 -5.460 -16.980 10.722 1.00 30.32 H new ATOM 119 N ILE A 10 -9.197 -11.642 5.156 1.00 2.31 N ATOM 120 CA ILE A 10 -10.142 -11.257 4.116 1.00 3.12 C ATOM 121 C ILE A 10 -11.308 -10.465 4.698 1.00 51.40 C ATOM 122 O ILE A 10 -12.040 -10.956 5.556 1.00 15.31 O ATOM 123 CB ILE A 10 -10.694 -12.488 3.371 1.00 32.54 C ATOM 124 CG1 ILE A 10 -9.617 -13.086 2.464 1.00 43.24 C ATOM 125 CG2 ILE A 10 -11.927 -12.110 2.565 1.00 2.41 C ATOM 126 CD1 ILE A 10 -9.612 -14.599 2.448 1.00 2.25 C ATOM 0 H ILE A 10 -8.971 -12.636 5.173 1.00 2.31 H new ATOM 0 HA ILE A 10 -9.596 -10.631 3.411 1.00 3.12 H new ATOM 0 HB ILE A 10 -10.982 -13.241 4.105 1.00 32.54 H new ATOM 0 HG12 ILE A 10 -9.765 -12.720 1.448 1.00 43.24 H new ATOM 0 HG13 ILE A 10 -8.640 -12.731 2.791 1.00 43.24 H new ATOM 0 HG21 ILE A 10 -12.305 -12.990 2.045 1.00 2.41 H new ATOM 0 HG22 ILE A 10 -12.696 -11.726 3.235 1.00 2.41 H new ATOM 0 HG23 ILE A 10 -11.664 -11.343 1.837 1.00 2.41 H new ATOM 0 HD11 ILE A 10 -8.823 -14.953 1.784 1.00 2.25 H new ATOM 0 HD12 ILE A 10 -9.433 -14.973 3.456 1.00 2.25 H new ATOM 0 HD13 ILE A 10 -10.576 -14.962 2.092 1.00 2.25 H new ATOM 137 N GLY A 11 -11.476 -9.234 4.223 1.00 63.14 N ATOM 138 CA GLY A 11 -12.556 -8.393 4.705 1.00 1.30 C ATOM 139 C GLY A 11 -12.163 -7.590 5.930 1.00 41.15 C ATOM 140 O GLY A 11 -13.010 -6.971 6.572 1.00 0.35 O ATOM 0 H GLY A 11 -10.883 -8.804 3.513 1.00 63.14 H new ATOM 0 HA2 GLY A 11 -12.864 -7.712 3.912 1.00 1.30 H new ATOM 0 HA3 GLY A 11 -13.418 -9.015 4.944 1.00 1.30 H new ATOM 144 N GLU A 12 -10.873 -7.602 6.253 1.00 3.15 N ATOM 145 CA GLU A 12 -10.370 -6.871 7.411 1.00 21.31 C ATOM 146 C GLU A 12 -9.668 -5.585 6.980 1.00 44.12 C ATOM 147 O GLU A 12 -8.927 -5.554 5.997 1.00 22.24 O ATOM 148 CB GLU A 12 -9.407 -7.746 8.216 1.00 10.23 C ATOM 149 CG GLU A 12 -10.044 -9.020 8.750 1.00 74.22 C ATOM 150 CD GLU A 12 -11.431 -8.786 9.313 1.00 65.53 C ATOM 151 OE1 GLU A 12 -11.571 -7.932 10.213 1.00 41.22 O ATOM 152 OE2 GLU A 12 -12.380 -9.457 8.852 1.00 1.41 O ATOM 0 H GLU A 12 -10.159 -8.109 5.730 1.00 3.15 H new ATOM 0 HA GLU A 12 -11.221 -6.607 8.039 1.00 21.31 H new ATOM 0 HB2 GLU A 12 -8.557 -8.011 7.587 1.00 10.23 H new ATOM 0 HB3 GLU A 12 -9.016 -7.167 9.053 1.00 10.23 H new ATOM 0 HG2 GLU A 12 -10.101 -9.757 7.949 1.00 74.22 H new ATOM 0 HG3 GLU A 12 -9.407 -9.442 9.527 1.00 74.22 H new ATOM 157 N PRO A 13 -9.906 -4.502 7.733 1.00 72.40 N ATOM 158 CA PRO A 13 -9.307 -3.194 7.450 1.00 41.22 C ATOM 159 C PRO A 13 -7.806 -3.174 7.720 1.00 53.03 C ATOM 160 O PRO A 13 -7.326 -3.805 8.662 1.00 73.11 O ATOM 161 CB PRO A 13 -10.036 -2.253 8.410 1.00 4.45 C ATOM 162 CG PRO A 13 -10.481 -3.128 9.532 1.00 2.32 C ATOM 163 CD PRO A 13 -10.778 -4.468 8.919 1.00 71.13 C ATOM 0 HA PRO A 13 -9.411 -2.917 6.401 1.00 41.22 H new ATOM 0 HB2 PRO A 13 -9.377 -1.460 8.764 1.00 4.45 H new ATOM 0 HB3 PRO A 13 -10.884 -1.770 7.924 1.00 4.45 H new ATOM 0 HG2 PRO A 13 -9.706 -3.211 10.294 1.00 2.32 H new ATOM 0 HG3 PRO A 13 -11.365 -2.718 10.020 1.00 2.32 H new ATOM 0 HD2 PRO A 13 -10.553 -5.283 9.607 1.00 71.13 H new ATOM 0 HD3 PRO A 13 -11.829 -4.561 8.647 1.00 71.13 H new ATOM 168 N LEU A 14 -7.069 -2.446 6.888 1.00 30.41 N ATOM 169 CA LEU A 14 -5.623 -2.341 7.038 1.00 55.43 C ATOM 170 C LEU A 14 -5.133 -0.951 6.647 1.00 75.24 C ATOM 171 O LEU A 14 -5.633 -0.349 5.697 1.00 3.13 O ATOM 172 CB LEU A 14 -4.924 -3.399 6.181 1.00 32.30 C ATOM 173 CG LEU A 14 -3.406 -3.491 6.333 1.00 72.41 C ATOM 174 CD1 LEU A 14 -3.037 -4.035 7.704 1.00 4.11 C ATOM 175 CD2 LEU A 14 -2.811 -4.360 5.235 1.00 42.01 C ATOM 0 H LEU A 14 -7.450 -1.919 6.102 1.00 30.41 H new ATOM 0 HA LEU A 14 -5.379 -2.510 8.087 1.00 55.43 H new ATOM 0 HB2 LEU A 14 -5.352 -4.372 6.420 1.00 32.30 H new ATOM 0 HB3 LEU A 14 -5.153 -3.199 5.134 1.00 32.30 H new ATOM 0 HG LEU A 14 -2.991 -2.487 6.240 1.00 72.41 H new ATOM 0 HD11 LEU A 14 -1.952 -4.093 7.793 1.00 4.11 H new ATOM 0 HD12 LEU A 14 -3.429 -3.373 8.476 1.00 4.11 H new ATOM 0 HD13 LEU A 14 -3.465 -5.030 7.828 1.00 4.11 H new ATOM 0 HD21 LEU A 14 -1.729 -4.414 5.360 1.00 42.01 H new ATOM 0 HD22 LEU A 14 -3.234 -5.363 5.296 1.00 42.01 H new ATOM 0 HD23 LEU A 14 -3.043 -3.927 4.262 1.00 42.01 H new ATOM 186 N VAL A 15 -4.149 -0.446 7.386 1.00 43.02 N ATOM 187 CA VAL A 15 -3.588 0.873 7.114 1.00 45.51 C ATOM 188 C VAL A 15 -2.075 0.801 6.945 1.00 50.55 C ATOM 189 O VAL A 15 -1.407 -0.030 7.561 1.00 41.13 O ATOM 190 CB VAL A 15 -3.921 1.866 8.243 1.00 75.11 C ATOM 191 CG1 VAL A 15 -3.459 3.268 7.874 1.00 42.32 C ATOM 192 CG2 VAL A 15 -5.412 1.849 8.545 1.00 0.03 C ATOM 0 H VAL A 15 -3.724 -0.930 8.177 1.00 43.02 H new ATOM 0 HA VAL A 15 -4.038 1.225 6.186 1.00 45.51 H new ATOM 0 HB VAL A 15 -3.388 1.559 9.143 1.00 75.11 H new ATOM 0 HG11 VAL A 15 -3.703 3.956 8.683 1.00 42.32 H new ATOM 0 HG12 VAL A 15 -2.381 3.265 7.712 1.00 42.32 H new ATOM 0 HG13 VAL A 15 -3.962 3.588 6.962 1.00 42.32 H new ATOM 0 HG21 VAL A 15 -5.629 2.557 9.345 1.00 0.03 H new ATOM 0 HG22 VAL A 15 -5.968 2.131 7.651 1.00 0.03 H new ATOM 0 HG23 VAL A 15 -5.709 0.847 8.856 1.00 0.03 H new ATOM 202 N LEU A 16 -1.538 1.680 6.105 1.00 61.14 N ATOM 203 CA LEU A 16 -0.102 1.718 5.853 1.00 44.54 C ATOM 204 C LEU A 16 0.418 3.152 5.882 1.00 4.45 C ATOM 205 O LEU A 16 -0.293 4.089 5.522 1.00 74.02 O ATOM 206 CB LEU A 16 0.217 1.076 4.501 1.00 65.23 C ATOM 207 CG LEU A 16 0.031 -0.439 4.416 1.00 13.22 C ATOM 208 CD1 LEU A 16 0.440 -0.952 3.044 1.00 61.32 C ATOM 209 CD2 LEU A 16 0.833 -1.135 5.507 1.00 4.14 C ATOM 0 H LEU A 16 -2.076 2.375 5.587 1.00 61.14 H new ATOM 0 HA LEU A 16 0.395 1.154 6.642 1.00 44.54 H new ATOM 0 HB2 LEU A 16 -0.412 1.542 3.743 1.00 65.23 H new ATOM 0 HB3 LEU A 16 1.250 1.310 4.245 1.00 65.23 H new ATOM 0 HG LEU A 16 -1.025 -0.665 4.566 1.00 13.22 H new ATOM 0 HD11 LEU A 16 0.301 -2.032 3.003 1.00 61.32 H new ATOM 0 HD12 LEU A 16 -0.175 -0.477 2.280 1.00 61.32 H new ATOM 0 HD13 LEU A 16 1.489 -0.715 2.864 1.00 61.32 H new ATOM 0 HD21 LEU A 16 0.690 -2.213 5.432 1.00 4.14 H new ATOM 0 HD22 LEU A 16 1.891 -0.900 5.387 1.00 4.14 H new ATOM 0 HD23 LEU A 16 0.494 -0.791 6.484 1.00 4.14 H new ATOM 220 N LYS A 17 1.664 3.315 6.313 1.00 21.02 N ATOM 221 CA LYS A 17 2.283 4.633 6.388 1.00 1.21 C ATOM 222 C LYS A 17 3.417 4.760 5.376 1.00 31.33 C ATOM 223 O LYS A 17 4.054 3.771 5.016 1.00 53.31 O ATOM 224 CB LYS A 17 2.813 4.891 7.801 1.00 74.22 C ATOM 225 CG LYS A 17 3.269 6.322 8.027 1.00 44.31 C ATOM 226 CD LYS A 17 3.149 6.720 9.489 1.00 20.30 C ATOM 227 CE LYS A 17 1.729 7.141 9.837 1.00 0.43 C ATOM 228 NZ LYS A 17 1.701 8.124 10.957 1.00 55.24 N ATOM 0 H LYS A 17 2.266 2.549 6.616 1.00 21.02 H new ATOM 0 HA LYS A 17 1.523 5.378 6.151 1.00 1.21 H new ATOM 0 HB2 LYS A 17 2.033 4.649 8.523 1.00 74.22 H new ATOM 0 HB3 LYS A 17 3.648 4.217 7.996 1.00 74.22 H new ATOM 0 HG2 LYS A 17 4.304 6.431 7.703 1.00 44.31 H new ATOM 0 HG3 LYS A 17 2.671 6.997 7.415 1.00 44.31 H new ATOM 0 HD2 LYS A 17 3.447 5.883 10.121 1.00 20.30 H new ATOM 0 HD3 LYS A 17 3.835 7.540 9.702 1.00 20.30 H new ATOM 0 HE2 LYS A 17 1.254 7.578 8.958 1.00 0.43 H new ATOM 0 HE3 LYS A 17 1.146 6.262 10.111 1.00 0.43 H new ATOM 0 HZ1 LYS A 17 0.716 8.386 11.164 1.00 55.24 H new ATOM 0 HZ2 LYS A 17 2.131 7.699 11.803 1.00 55.24 H new ATOM 0 HZ3 LYS A 17 2.236 8.974 10.686 1.00 55.24 H new ATOM 238 N CYS A 18 3.664 5.984 4.923 1.00 11.44 N ATOM 239 CA CYS A 18 4.723 6.242 3.953 1.00 24.12 C ATOM 240 C CYS A 18 5.903 6.948 4.612 1.00 0.52 C ATOM 241 O CYS A 18 5.880 8.162 4.818 1.00 44.50 O ATOM 242 CB CYS A 18 4.187 7.090 2.797 1.00 5.30 C ATOM 243 SG CYS A 18 5.362 7.294 1.419 1.00 14.45 S ATOM 0 H CYS A 18 3.146 6.814 5.212 1.00 11.44 H new ATOM 0 HA CYS A 18 5.067 5.284 3.563 1.00 24.12 H new ATOM 0 HB2 CYS A 18 3.274 6.632 2.417 1.00 5.30 H new ATOM 0 HB3 CYS A 18 3.915 8.075 3.178 1.00 5.30 H new ATOM 247 N LYS A 19 6.937 6.180 4.940 1.00 71.30 N ATOM 248 CA LYS A 19 8.129 6.729 5.574 1.00 74.34 C ATOM 249 C LYS A 19 8.703 7.878 4.749 1.00 22.44 C ATOM 250 O LYS A 19 8.989 7.720 3.563 1.00 53.11 O ATOM 251 CB LYS A 19 9.186 5.638 5.752 1.00 4.44 C ATOM 252 CG LYS A 19 8.642 4.358 6.365 1.00 31.44 C ATOM 253 CD LYS A 19 7.905 4.632 7.665 1.00 12.12 C ATOM 254 CE LYS A 19 8.822 5.253 8.707 1.00 52.21 C ATOM 255 NZ LYS A 19 8.096 5.576 9.966 1.00 44.01 N ATOM 0 H LYS A 19 6.973 5.174 4.777 1.00 71.30 H new ATOM 0 HA LYS A 19 7.845 7.114 6.553 1.00 74.34 H new ATOM 0 HB2 LYS A 19 9.626 5.408 4.781 1.00 4.44 H new ATOM 0 HB3 LYS A 19 9.988 6.021 6.383 1.00 4.44 H new ATOM 0 HG2 LYS A 19 7.968 3.873 5.659 1.00 31.44 H new ATOM 0 HG3 LYS A 19 9.463 3.665 6.550 1.00 31.44 H new ATOM 0 HD2 LYS A 19 7.065 5.300 7.474 1.00 12.12 H new ATOM 0 HD3 LYS A 19 7.491 3.701 8.052 1.00 12.12 H new ATOM 0 HE2 LYS A 19 9.640 4.566 8.926 1.00 52.21 H new ATOM 0 HE3 LYS A 19 9.268 6.161 8.302 1.00 52.21 H new ATOM 0 HZ1 LYS A 19 8.757 5.997 10.650 1.00 44.01 H new ATOM 0 HZ2 LYS A 19 7.331 6.251 9.762 1.00 44.01 H new ATOM 0 HZ3 LYS A 19 7.692 4.706 10.367 1.00 44.01 H new ATOM 265 N GLY A 20 8.870 9.033 5.387 1.00 23.32 N ATOM 266 CA GLY A 20 9.410 10.190 4.697 1.00 42.32 C ATOM 267 C GLY A 20 8.504 11.401 4.798 1.00 30.41 C ATOM 268 O GLY A 20 8.972 12.521 5.000 1.00 53.23 O ATOM 0 H GLY A 20 8.641 9.188 6.369 1.00 23.32 H new ATOM 0 HA2 GLY A 20 10.387 10.435 5.115 1.00 42.32 H new ATOM 0 HA3 GLY A 20 9.565 9.943 3.647 1.00 42.32 H new ATOM 272 N ALA A 21 7.201 11.177 4.655 1.00 62.03 N ATOM 273 CA ALA A 21 6.228 12.259 4.731 1.00 25.34 C ATOM 274 C ALA A 21 5.713 12.435 6.155 1.00 13.33 C ATOM 275 O ALA A 21 5.285 11.482 6.809 1.00 11.33 O ATOM 276 CB ALA A 21 5.070 11.996 3.779 1.00 52.51 C ATOM 0 H ALA A 21 6.796 10.256 4.486 1.00 62.03 H new ATOM 0 HA ALA A 21 6.726 13.183 4.435 1.00 25.34 H new ATOM 0 HB1 ALA A 21 4.351 12.812 3.846 1.00 52.51 H new ATOM 0 HB2 ALA A 21 5.446 11.927 2.758 1.00 52.51 H new ATOM 0 HB3 ALA A 21 4.582 11.060 4.049 1.00 52.51 H new ATOM 282 N PRO A 22 5.756 13.680 6.652 1.00 63.21 N ATOM 283 CA PRO A 22 5.298 14.009 8.005 1.00 22.34 C ATOM 284 C PRO A 22 3.783 13.900 8.148 1.00 52.45 C ATOM 285 O PRO A 22 3.110 13.314 7.299 1.00 60.21 O ATOM 286 CB PRO A 22 5.748 15.460 8.189 1.00 74.21 C ATOM 287 CG PRO A 22 5.831 16.009 6.805 1.00 12.12 C ATOM 288 CD PRO A 22 6.255 14.863 5.930 1.00 61.45 C ATOM 0 HA PRO A 22 5.704 13.324 8.750 1.00 22.34 H new ATOM 0 HB2 PRO A 22 5.037 16.021 8.796 1.00 74.21 H new ATOM 0 HB3 PRO A 22 6.712 15.515 8.695 1.00 74.21 H new ATOM 0 HG2 PRO A 22 4.869 16.409 6.485 1.00 12.12 H new ATOM 0 HG3 PRO A 22 6.549 16.827 6.752 1.00 12.12 H new ATOM 0 HD2 PRO A 22 5.822 14.937 4.933 1.00 61.45 H new ATOM 0 HD3 PRO A 22 7.337 14.831 5.806 1.00 61.45 H new ATOM 293 N LYS A 23 3.254 14.467 9.225 1.00 23.21 N ATOM 294 CA LYS A 23 1.817 14.434 9.480 1.00 52.25 C ATOM 295 C LYS A 23 1.037 14.871 8.243 1.00 13.21 C ATOM 296 O LYS A 23 0.090 14.205 7.827 1.00 5.23 O ATOM 297 CB LYS A 23 1.468 15.338 10.663 1.00 20.21 C ATOM 298 CG LYS A 23 2.185 14.962 11.948 1.00 5.13 C ATOM 299 CD LYS A 23 1.865 13.536 12.367 1.00 52.33 C ATOM 300 CE LYS A 23 2.550 13.173 13.676 1.00 33.11 C ATOM 301 NZ LYS A 23 2.789 11.708 13.789 1.00 42.25 N ATOM 0 H LYS A 23 3.797 14.956 9.937 1.00 23.21 H new ATOM 0 HA LYS A 23 1.538 13.408 9.721 1.00 52.25 H new ATOM 0 HB2 LYS A 23 1.715 16.368 10.407 1.00 20.21 H new ATOM 0 HB3 LYS A 23 0.392 15.301 10.833 1.00 20.21 H new ATOM 0 HG2 LYS A 23 3.261 15.069 11.810 1.00 5.13 H new ATOM 0 HG3 LYS A 23 1.895 15.650 12.742 1.00 5.13 H new ATOM 0 HD2 LYS A 23 0.787 13.421 12.475 1.00 52.33 H new ATOM 0 HD3 LYS A 23 2.183 12.846 11.585 1.00 52.33 H new ATOM 0 HE2 LYS A 23 3.500 13.703 13.748 1.00 33.11 H new ATOM 0 HE3 LYS A 23 1.935 13.506 14.512 1.00 33.11 H new ATOM 0 HZ1 LYS A 23 3.257 11.501 14.694 1.00 42.25 H new ATOM 0 HZ2 LYS A 23 1.880 11.204 13.746 1.00 42.25 H new ATOM 0 HZ3 LYS A 23 3.397 11.394 13.006 1.00 42.25 H new ATOM 311 N LYS A 24 1.442 15.995 7.661 1.00 4.11 N ATOM 312 CA LYS A 24 0.783 16.521 6.471 1.00 44.41 C ATOM 313 C LYS A 24 1.657 16.331 5.236 1.00 73.23 C ATOM 314 O LYS A 24 2.885 16.290 5.316 1.00 32.50 O ATOM 315 CB LYS A 24 0.458 18.005 6.656 1.00 3.25 C ATOM 316 CG LYS A 24 1.676 18.908 6.574 1.00 43.00 C ATOM 317 CD LYS A 24 1.862 19.711 7.851 1.00 73.52 C ATOM 318 CE LYS A 24 1.142 21.048 7.779 1.00 73.23 C ATOM 319 NZ LYS A 24 1.590 21.978 8.852 1.00 11.31 N ATOM 0 H LYS A 24 2.224 16.559 7.994 1.00 4.11 H new ATOM 0 HA LYS A 24 -0.145 15.968 6.326 1.00 44.41 H new ATOM 0 HB2 LYS A 24 -0.261 18.309 5.895 1.00 3.25 H new ATOM 0 HB3 LYS A 24 -0.024 18.145 7.624 1.00 3.25 H new ATOM 0 HG2 LYS A 24 2.565 18.305 6.389 1.00 43.00 H new ATOM 0 HG3 LYS A 24 1.570 19.587 5.728 1.00 43.00 H new ATOM 0 HD2 LYS A 24 1.486 19.139 8.699 1.00 73.52 H new ATOM 0 HD3 LYS A 24 2.925 19.878 8.025 1.00 73.52 H new ATOM 0 HE2 LYS A 24 1.320 21.504 6.805 1.00 73.23 H new ATOM 0 HE3 LYS A 24 0.067 20.887 7.864 1.00 73.23 H new ATOM 0 HZ1 LYS A 24 1.076 22.878 8.768 1.00 11.31 H new ATOM 0 HZ2 LYS A 24 1.397 21.554 9.782 1.00 11.31 H new ATOM 0 HZ3 LYS A 24 2.611 22.152 8.756 1.00 11.31 H new ATOM 329 N PRO A 25 1.012 16.213 4.066 1.00 12.21 N ATOM 330 CA PRO A 25 1.712 16.027 2.792 1.00 75.22 C ATOM 331 C PRO A 25 2.470 17.278 2.359 1.00 74.01 C ATOM 332 O PRO A 25 1.882 18.289 1.977 1.00 65.33 O ATOM 333 CB PRO A 25 0.582 15.721 1.807 1.00 60.03 C ATOM 334 CG PRO A 25 -0.626 16.355 2.408 1.00 64.24 C ATOM 335 CD PRO A 25 -0.451 16.252 3.896 1.00 53.40 C ATOM 0 HA PRO A 25 2.467 15.243 2.853 1.00 75.22 H new ATOM 0 HB2 PRO A 25 0.795 16.132 0.820 1.00 60.03 H new ATOM 0 HB3 PRO A 25 0.445 14.647 1.683 1.00 60.03 H new ATOM 0 HG2 PRO A 25 -0.716 17.396 2.097 1.00 64.24 H new ATOM 0 HG3 PRO A 25 -1.535 15.846 2.086 1.00 64.24 H new ATOM 0 HD2 PRO A 25 -0.893 17.104 4.412 1.00 53.40 H new ATOM 0 HD3 PRO A 25 -0.926 15.356 4.295 1.00 53.40 H new ATOM 340 N PRO A 26 3.809 17.211 2.420 1.00 1.00 N ATOM 341 CA PRO A 26 4.676 18.329 2.038 1.00 1.02 C ATOM 342 C PRO A 26 4.660 18.587 0.536 1.00 74.43 C ATOM 343 O PRO A 26 3.895 19.420 0.049 1.00 3.32 O ATOM 344 CB PRO A 26 6.065 17.870 2.487 1.00 15.30 C ATOM 345 CG PRO A 26 5.992 16.382 2.486 1.00 64.44 C ATOM 346 CD PRO A 26 4.578 16.037 2.867 1.00 34.10 C ATOM 0 HA PRO A 26 4.355 19.267 2.491 1.00 1.02 H new ATOM 0 HB2 PRO A 26 6.839 18.229 1.808 1.00 15.30 H new ATOM 0 HB3 PRO A 26 6.307 18.254 3.478 1.00 15.30 H new ATOM 0 HG2 PRO A 26 6.241 15.980 1.504 1.00 64.44 H new ATOM 0 HG3 PRO A 26 6.702 15.956 3.195 1.00 64.44 H new ATOM 0 HD2 PRO A 26 4.241 15.124 2.376 1.00 34.10 H new ATOM 0 HD3 PRO A 26 4.479 15.876 3.941 1.00 34.10 H new ATOM 351 N GLN A 27 5.509 17.870 -0.192 1.00 63.13 N ATOM 352 CA GLN A 27 5.591 18.023 -1.640 1.00 62.21 C ATOM 353 C GLN A 27 4.884 16.873 -2.351 1.00 33.44 C ATOM 354 O GLN A 27 4.314 15.992 -1.709 1.00 24.04 O ATOM 355 CB GLN A 27 7.053 18.090 -2.084 1.00 42.23 C ATOM 356 CG GLN A 27 7.480 19.466 -2.570 1.00 21.52 C ATOM 357 CD GLN A 27 8.148 20.286 -1.483 1.00 25.40 C ATOM 358 OE1 GLN A 27 9.166 19.883 -0.921 1.00 23.41 O ATOM 359 NE2 GLN A 27 7.575 21.447 -1.180 1.00 65.34 N ATOM 0 H GLN A 27 6.150 17.178 0.196 1.00 63.13 H new ATOM 0 HA GLN A 27 5.093 18.954 -1.910 1.00 62.21 H new ATOM 0 HB2 GLN A 27 7.691 17.794 -1.251 1.00 42.23 H new ATOM 0 HB3 GLN A 27 7.215 17.366 -2.882 1.00 42.23 H new ATOM 0 HG2 GLN A 27 8.166 19.354 -3.409 1.00 21.52 H new ATOM 0 HG3 GLN A 27 6.607 20.003 -2.941 1.00 21.52 H new ATOM 0 HE21 GLN A 27 6.731 21.743 -1.671 1.00 65.34 H new ATOM 0 HE22 GLN A 27 7.979 22.042 -0.457 1.00 65.34 H new ATOM 366 N ARG A 28 4.924 16.892 -3.678 1.00 44.25 N ATOM 367 CA ARG A 28 4.285 15.851 -4.476 1.00 11.41 C ATOM 368 C ARG A 28 4.955 14.499 -4.245 1.00 35.31 C ATOM 369 O ARG A 28 6.181 14.406 -4.176 1.00 43.34 O ATOM 370 CB ARG A 28 4.340 16.212 -5.963 1.00 1.13 C ATOM 371 CG ARG A 28 3.757 15.142 -6.870 1.00 65.15 C ATOM 372 CD ARG A 28 3.426 15.699 -8.246 1.00 21.30 C ATOM 373 NE ARG A 28 4.617 15.853 -9.076 1.00 51.32 N ATOM 374 CZ ARG A 28 4.628 16.501 -10.235 1.00 63.22 C ATOM 375 NH1 ARG A 28 3.514 17.053 -10.700 1.00 12.32 N ATOM 376 NH2 ARG A 28 5.752 16.598 -10.934 1.00 32.54 N ATOM 0 H ARG A 28 5.391 17.616 -4.224 1.00 44.25 H new ATOM 0 HA ARG A 28 3.243 15.778 -4.164 1.00 11.41 H new ATOM 0 HB2 ARG A 28 3.800 17.145 -6.122 1.00 1.13 H new ATOM 0 HB3 ARG A 28 5.377 16.392 -6.247 1.00 1.13 H new ATOM 0 HG2 ARG A 28 4.467 14.321 -6.970 1.00 65.15 H new ATOM 0 HG3 ARG A 28 2.856 14.730 -6.416 1.00 65.15 H new ATOM 0 HD2 ARG A 28 2.720 15.035 -8.745 1.00 21.30 H new ATOM 0 HD3 ARG A 28 2.933 16.665 -8.137 1.00 21.30 H new ATOM 0 HE ARG A 28 5.490 15.440 -8.747 1.00 51.32 H new ATOM 0 HH11 ARG A 28 2.648 16.980 -10.167 1.00 12.32 H new ATOM 0 HH12 ARG A 28 3.524 17.550 -11.590 1.00 12.32 H new ATOM 0 HH21 ARG A 28 6.610 16.174 -10.581 1.00 32.54 H new ATOM 0 HH22 ARG A 28 5.758 17.096 -11.824 1.00 32.54 H new ATOM 387 N LEU A 29 4.143 13.456 -4.123 1.00 71.32 N ATOM 388 CA LEU A 29 4.655 12.108 -3.899 1.00 52.32 C ATOM 389 C LEU A 29 3.933 11.096 -4.782 1.00 0.13 C ATOM 390 O LEU A 29 2.836 11.359 -5.274 1.00 34.21 O ATOM 391 CB LEU A 29 4.500 11.721 -2.427 1.00 23.23 C ATOM 392 CG LEU A 29 3.104 11.902 -1.829 1.00 32.21 C ATOM 393 CD1 LEU A 29 2.188 10.768 -2.261 1.00 43.01 C ATOM 394 CD2 LEU A 29 3.180 11.979 -0.312 1.00 33.31 C ATOM 0 H LEU A 29 3.126 13.517 -4.175 1.00 71.32 H new ATOM 0 HA LEU A 29 5.713 12.100 -4.161 1.00 52.32 H new ATOM 0 HB2 LEU A 29 4.789 10.676 -2.314 1.00 23.23 H new ATOM 0 HB3 LEU A 29 5.204 12.311 -1.841 1.00 23.23 H new ATOM 0 HG LEU A 29 2.689 12.839 -2.200 1.00 32.21 H new ATOM 0 HD11 LEU A 29 1.199 10.913 -1.826 1.00 43.01 H new ATOM 0 HD12 LEU A 29 2.109 10.758 -3.348 1.00 43.01 H new ATOM 0 HD13 LEU A 29 2.599 9.818 -1.919 1.00 43.01 H new ATOM 0 HD21 LEU A 29 2.178 12.108 0.096 1.00 33.31 H new ATOM 0 HD22 LEU A 29 3.615 11.059 0.078 1.00 33.31 H new ATOM 0 HD23 LEU A 29 3.802 12.826 -0.021 1.00 33.31 H new ATOM 405 N GLU A 30 4.555 9.937 -4.976 1.00 11.04 N ATOM 406 CA GLU A 30 3.971 8.886 -5.799 1.00 24.53 C ATOM 407 C GLU A 30 3.788 7.603 -4.993 1.00 62.13 C ATOM 408 O GLU A 30 4.599 7.283 -4.124 1.00 42.01 O ATOM 409 CB GLU A 30 4.850 8.613 -7.020 1.00 55.23 C ATOM 410 CG GLU A 30 4.135 7.867 -8.133 1.00 0.01 C ATOM 411 CD GLU A 30 4.712 8.166 -9.502 1.00 55.42 C ATOM 412 OE1 GLU A 30 5.066 9.337 -9.755 1.00 0.35 O ATOM 413 OE2 GLU A 30 4.812 7.229 -10.321 1.00 52.31 O ATOM 0 H GLU A 30 5.463 9.703 -4.574 1.00 11.04 H new ATOM 0 HA GLU A 30 2.992 9.227 -6.136 1.00 24.53 H new ATOM 0 HB2 GLU A 30 5.220 9.561 -7.410 1.00 55.23 H new ATOM 0 HB3 GLU A 30 5.720 8.035 -6.708 1.00 55.23 H new ATOM 0 HG2 GLU A 30 4.196 6.795 -7.944 1.00 0.01 H new ATOM 0 HG3 GLU A 30 3.078 8.133 -8.123 1.00 0.01 H new ATOM 418 N TRP A 31 2.717 6.873 -5.287 1.00 74.31 N ATOM 419 CA TRP A 31 2.427 5.626 -4.589 1.00 51.54 C ATOM 420 C TRP A 31 2.183 4.493 -5.579 1.00 32.40 C ATOM 421 O TRP A 31 1.500 4.674 -6.589 1.00 44.21 O ATOM 422 CB TRP A 31 1.210 5.798 -3.680 1.00 11.21 C ATOM 423 CG TRP A 31 1.141 4.779 -2.581 1.00 33.21 C ATOM 424 CD1 TRP A 31 1.059 3.425 -2.725 1.00 45.43 C ATOM 425 CD2 TRP A 31 1.147 5.036 -1.173 1.00 33.20 C ATOM 426 NE1 TRP A 31 1.013 2.822 -1.491 1.00 12.22 N ATOM 427 CE2 TRP A 31 1.067 3.790 -0.522 1.00 4.20 C ATOM 428 CE3 TRP A 31 1.214 6.198 -0.399 1.00 5.41 C ATOM 429 CZ2 TRP A 31 1.050 3.674 0.866 1.00 72.21 C ATOM 430 CZ3 TRP A 31 1.198 6.082 0.978 1.00 4.21 C ATOM 431 CH2 TRP A 31 1.118 4.828 1.599 1.00 4.21 C ATOM 0 H TRP A 31 2.036 7.123 -6.004 1.00 74.31 H new ATOM 0 HA TRP A 31 3.293 5.369 -3.979 1.00 51.54 H new ATOM 0 HB2 TRP A 31 1.232 6.795 -3.240 1.00 11.21 H new ATOM 0 HB3 TRP A 31 0.304 5.735 -4.282 1.00 11.21 H new ATOM 0 HD1 TRP A 31 1.034 2.903 -3.670 1.00 45.43 H new ATOM 0 HE1 TRP A 31 0.949 1.818 -1.323 1.00 12.22 H new ATOM 0 HE3 TRP A 31 1.277 7.169 -0.868 1.00 5.41 H new ATOM 0 HZ2 TRP A 31 0.986 2.709 1.346 1.00 72.21 H new ATOM 0 HZ3 TRP A 31 1.248 6.973 1.586 1.00 4.21 H new ATOM 0 HH2 TRP A 31 1.110 4.771 2.677 1.00 4.21 H new ATOM 441 N LYS A 32 2.743 3.325 -5.286 1.00 2.35 N ATOM 442 CA LYS A 32 2.583 2.161 -6.149 1.00 75.11 C ATOM 443 C LYS A 32 2.408 0.891 -5.324 1.00 71.54 C ATOM 444 O LYS A 32 3.080 0.698 -4.310 1.00 53.35 O ATOM 445 CB LYS A 32 3.795 2.018 -7.074 1.00 41.32 C ATOM 446 CG LYS A 32 3.738 2.918 -8.296 1.00 1.05 C ATOM 447 CD LYS A 32 4.918 2.677 -9.223 1.00 43.22 C ATOM 448 CE LYS A 32 5.489 3.983 -9.751 1.00 13.22 C ATOM 449 NZ LYS A 32 6.684 3.759 -10.611 1.00 20.33 N ATOM 0 H LYS A 32 3.313 3.159 -4.456 1.00 2.35 H new ATOM 0 HA LYS A 32 1.687 2.307 -6.752 1.00 75.11 H new ATOM 0 HB2 LYS A 32 4.700 2.243 -6.510 1.00 41.32 H new ATOM 0 HB3 LYS A 32 3.872 0.981 -7.400 1.00 41.32 H new ATOM 0 HG2 LYS A 32 2.808 2.741 -8.836 1.00 1.05 H new ATOM 0 HG3 LYS A 32 3.730 3.961 -7.980 1.00 1.05 H new ATOM 0 HD2 LYS A 32 5.695 2.129 -8.690 1.00 43.22 H new ATOM 0 HD3 LYS A 32 4.603 2.052 -10.059 1.00 43.22 H new ATOM 0 HE2 LYS A 32 4.724 4.509 -10.322 1.00 13.22 H new ATOM 0 HE3 LYS A 32 5.760 4.626 -8.913 1.00 13.22 H new ATOM 0 HZ1 LYS A 32 7.043 4.674 -10.951 1.00 20.33 H new ATOM 0 HZ2 LYS A 32 7.424 3.280 -10.059 1.00 20.33 H new ATOM 0 HZ3 LYS A 32 6.420 3.167 -11.424 1.00 20.33 H new ATOM 459 N LEU A 33 1.500 0.026 -5.765 1.00 2.41 N ATOM 460 CA LEU A 33 1.236 -1.229 -5.067 1.00 74.14 C ATOM 461 C LEU A 33 1.091 -2.381 -6.056 1.00 42.42 C ATOM 462 O LEU A 33 0.426 -2.251 -7.083 1.00 12.43 O ATOM 463 CB LEU A 33 -0.028 -1.106 -4.219 1.00 22.43 C ATOM 464 CG LEU A 33 -0.796 -2.405 -3.966 1.00 33.51 C ATOM 465 CD1 LEU A 33 0.043 -3.368 -3.142 1.00 2.14 C ATOM 466 CD2 LEU A 33 -2.118 -2.116 -3.271 1.00 4.25 C ATOM 0 H LEU A 33 0.935 0.170 -6.602 1.00 2.41 H new ATOM 0 HA LEU A 33 2.083 -1.440 -4.415 1.00 74.14 H new ATOM 0 HB2 LEU A 33 0.245 -0.675 -3.256 1.00 22.43 H new ATOM 0 HB3 LEU A 33 -0.700 -0.399 -4.705 1.00 22.43 H new ATOM 0 HG LEU A 33 -1.009 -2.872 -4.927 1.00 33.51 H new ATOM 0 HD11 LEU A 33 -0.519 -4.286 -2.972 1.00 2.14 H new ATOM 0 HD12 LEU A 33 0.963 -3.600 -3.679 1.00 2.14 H new ATOM 0 HD13 LEU A 33 0.288 -2.909 -2.184 1.00 2.14 H new ATOM 0 HD21 LEU A 33 -2.651 -3.051 -3.099 1.00 4.25 H new ATOM 0 HD22 LEU A 33 -1.928 -1.626 -2.316 1.00 4.25 H new ATOM 0 HD23 LEU A 33 -2.724 -1.463 -3.899 1.00 4.25 H new ATOM 477 N ASN A 34 1.715 -3.510 -5.736 1.00 12.23 N ATOM 478 CA ASN A 34 1.653 -4.687 -6.595 1.00 11.33 C ATOM 479 C ASN A 34 0.913 -5.828 -5.903 1.00 72.11 C ATOM 480 O ASN A 34 1.306 -6.275 -4.825 1.00 43.25 O ATOM 481 CB ASN A 34 3.064 -5.139 -6.979 1.00 55.23 C ATOM 482 CG ASN A 34 3.120 -5.741 -8.369 1.00 21.30 C ATOM 483 OD1 ASN A 34 2.313 -6.770 -8.601 1.00 14.53 O flip ATOM 484 ND2 ASN A 34 3.878 -5.286 -9.226 1.00 43.12 N flip ATOM 0 H ASN A 34 2.269 -3.635 -4.889 1.00 12.23 H new ATOM 0 HA ASN A 34 1.106 -4.418 -7.498 1.00 11.33 H new ATOM 0 HB2 ASN A 34 3.742 -4.287 -6.927 1.00 55.23 H new ATOM 0 HB3 ASN A 34 3.418 -5.872 -6.254 1.00 55.23 H new ATOM 0 HD21 ASN A 34 4.481 -4.494 -9.005 1.00 43.12 H new ATOM 0 HD22 ASN A 34 3.903 -5.701 -10.157 1.00 43.12 H new ATOM 490 N THR A 35 -0.162 -6.295 -6.531 1.00 22.53 N ATOM 491 CA THR A 35 -0.958 -7.381 -5.976 1.00 42.43 C ATOM 492 C THR A 35 -1.355 -8.380 -7.057 1.00 1.15 C ATOM 493 O THR A 35 -1.015 -8.209 -8.227 1.00 23.51 O ATOM 494 CB THR A 35 -2.232 -6.852 -5.290 1.00 43.31 C ATOM 495 OG1 THR A 35 -3.079 -6.215 -6.253 1.00 12.13 O ATOM 496 CG2 THR A 35 -1.882 -5.868 -4.184 1.00 40.50 C ATOM 0 H THR A 35 -0.501 -5.937 -7.424 1.00 22.53 H new ATOM 0 HA THR A 35 -0.335 -7.880 -5.234 1.00 42.43 H new ATOM 0 HB THR A 35 -2.758 -7.698 -4.848 1.00 43.31 H new ATOM 0 HG1 THR A 35 -3.887 -5.883 -5.809 1.00 12.13 H new ATOM 0 HG21 THR A 35 -2.797 -5.508 -3.714 1.00 40.50 H new ATOM 0 HG22 THR A 35 -1.262 -6.365 -3.438 1.00 40.50 H new ATOM 0 HG23 THR A 35 -1.335 -5.025 -4.607 1.00 40.50 H new ATOM 504 N GLY A 36 -2.076 -9.424 -6.657 1.00 31.42 N ATOM 505 CA GLY A 36 -2.508 -10.434 -7.606 1.00 43.42 C ATOM 506 C GLY A 36 -1.390 -11.382 -7.991 1.00 1.14 C ATOM 507 O GLY A 36 -0.715 -11.941 -7.126 1.00 22.12 O ATOM 0 H GLY A 36 -2.368 -9.588 -5.694 1.00 31.42 H new ATOM 0 HA2 GLY A 36 -3.332 -11.004 -7.176 1.00 43.42 H new ATOM 0 HA3 GLY A 36 -2.892 -9.946 -8.502 1.00 43.42 H new ATOM 511 N ARG A 37 -1.194 -11.566 -9.292 1.00 64.41 N ATOM 512 CA ARG A 37 -0.153 -12.457 -9.790 1.00 34.00 C ATOM 513 C ARG A 37 0.943 -11.667 -10.502 1.00 61.21 C ATOM 514 O ARG A 37 2.126 -11.984 -10.387 1.00 55.45 O ATOM 515 CB ARG A 37 -0.750 -13.495 -10.743 1.00 21.35 C ATOM 516 CG ARG A 37 -2.007 -14.160 -10.207 1.00 74.22 C ATOM 517 CD ARG A 37 -1.760 -14.809 -8.853 1.00 55.04 C ATOM 518 NE ARG A 37 -2.971 -15.411 -8.305 1.00 30.40 N ATOM 519 CZ ARG A 37 -3.137 -15.687 -7.017 1.00 1.15 C ATOM 520 NH1 ARG A 37 -2.172 -15.415 -6.147 1.00 62.22 N ATOM 521 NH2 ARG A 37 -4.269 -16.234 -6.593 1.00 65.41 N ATOM 0 H ARG A 37 -1.743 -11.110 -10.021 1.00 64.41 H new ATOM 0 HA ARG A 37 0.288 -12.971 -8.936 1.00 34.00 H new ATOM 0 HB2 ARG A 37 -0.981 -13.013 -11.693 1.00 21.35 H new ATOM 0 HB3 ARG A 37 -0.002 -14.261 -10.947 1.00 21.35 H new ATOM 0 HG2 ARG A 37 -2.802 -13.419 -10.117 1.00 74.22 H new ATOM 0 HG3 ARG A 37 -2.352 -14.913 -10.915 1.00 74.22 H new ATOM 0 HD2 ARG A 37 -0.989 -15.573 -8.953 1.00 55.04 H new ATOM 0 HD3 ARG A 37 -1.380 -14.061 -8.157 1.00 55.04 H new ATOM 0 HE ARG A 37 -3.732 -15.632 -8.947 1.00 30.40 H new ATOM 0 HH11 ARG A 37 -1.300 -14.993 -6.467 1.00 62.22 H new ATOM 0 HH12 ARG A 37 -2.302 -15.628 -5.158 1.00 62.22 H new ATOM 0 HH21 ARG A 37 -5.014 -16.443 -7.257 1.00 65.41 H new ATOM 0 HH22 ARG A 37 -4.394 -16.445 -5.603 1.00 65.41 H new ATOM 532 N THR A 38 0.538 -10.639 -11.240 1.00 74.24 N ATOM 533 CA THR A 38 1.482 -9.804 -11.973 1.00 73.04 C ATOM 534 C THR A 38 0.763 -8.702 -12.741 1.00 13.15 C ATOM 535 O THR A 38 1.301 -7.612 -12.929 1.00 34.10 O ATOM 536 CB THR A 38 2.320 -10.638 -12.960 1.00 45.42 C ATOM 537 OG1 THR A 38 3.424 -9.866 -13.443 1.00 14.44 O ATOM 538 CG2 THR A 38 1.470 -11.104 -14.133 1.00 61.41 C ATOM 0 H THR A 38 -0.438 -10.364 -11.346 1.00 74.24 H new ATOM 0 HA THR A 38 2.144 -9.354 -11.234 1.00 73.04 H new ATOM 0 HB THR A 38 2.695 -11.514 -12.431 1.00 45.42 H new ATOM 0 HG1 THR A 38 3.952 -10.405 -14.069 1.00 14.44 H new ATOM 0 HG21 THR A 38 2.084 -11.691 -14.816 1.00 61.41 H new ATOM 0 HG22 THR A 38 0.648 -11.718 -13.765 1.00 61.41 H new ATOM 0 HG23 THR A 38 1.069 -10.237 -14.659 1.00 61.41 H new ATOM 546 N GLU A 39 -0.457 -8.993 -13.181 1.00 40.40 N ATOM 547 CA GLU A 39 -1.250 -8.024 -13.929 1.00 54.33 C ATOM 548 C GLU A 39 -2.332 -7.410 -13.047 1.00 32.44 C ATOM 549 O GLU A 39 -3.426 -7.097 -13.515 1.00 30.11 O ATOM 550 CB GLU A 39 -1.889 -8.690 -15.150 1.00 34.42 C ATOM 551 CG GLU A 39 -0.887 -9.078 -16.226 1.00 32.34 C ATOM 552 CD GLU A 39 -1.375 -10.223 -17.090 1.00 44.34 C ATOM 553 OE1 GLU A 39 -2.235 -9.983 -17.964 1.00 20.21 O ATOM 554 OE2 GLU A 39 -0.899 -11.361 -16.893 1.00 62.44 O ATOM 0 H GLU A 39 -0.918 -9.891 -13.033 1.00 40.40 H new ATOM 0 HA GLU A 39 -0.584 -7.229 -14.264 1.00 54.33 H new ATOM 0 HB2 GLU A 39 -2.426 -9.582 -14.827 1.00 34.42 H new ATOM 0 HB3 GLU A 39 -2.626 -8.011 -15.579 1.00 34.42 H new ATOM 0 HG2 GLU A 39 -0.683 -8.213 -16.857 1.00 32.34 H new ATOM 0 HG3 GLU A 39 0.055 -9.358 -15.756 1.00 32.34 H new ATOM 559 N ALA A 40 -2.018 -7.242 -11.766 1.00 22.42 N ATOM 560 CA ALA A 40 -2.963 -6.663 -10.818 1.00 53.43 C ATOM 561 C ALA A 40 -2.380 -5.422 -10.151 1.00 14.33 C ATOM 562 O ALA A 40 -3.070 -4.722 -9.410 1.00 12.21 O ATOM 563 CB ALA A 40 -3.355 -7.693 -9.769 1.00 75.05 C ATOM 0 H ALA A 40 -1.118 -7.498 -11.361 1.00 22.42 H new ATOM 0 HA ALA A 40 -3.855 -6.363 -11.368 1.00 53.43 H new ATOM 0 HB1 ALA A 40 -4.061 -7.248 -9.068 1.00 75.05 H new ATOM 0 HB2 ALA A 40 -3.820 -8.550 -10.256 1.00 75.05 H new ATOM 0 HB3 ALA A 40 -2.466 -8.020 -9.230 1.00 75.05 H new ATOM 569 N TRP A 41 -1.105 -5.156 -10.416 1.00 3.31 N ATOM 570 CA TRP A 41 -0.431 -3.999 -9.840 1.00 53.11 C ATOM 571 C TRP A 41 -1.020 -2.701 -10.380 1.00 15.05 C ATOM 572 O TRP A 41 -1.205 -2.544 -11.587 1.00 31.31 O ATOM 573 CB TRP A 41 1.068 -4.056 -10.140 1.00 34.13 C ATOM 574 CG TRP A 41 1.461 -3.280 -11.360 1.00 61.23 C ATOM 575 CD1 TRP A 41 2.091 -2.069 -11.393 1.00 74.32 C ATOM 576 CD2 TRP A 41 1.245 -3.659 -12.724 1.00 51.32 C ATOM 577 NE1 TRP A 41 2.281 -1.673 -12.695 1.00 42.54 N ATOM 578 CE2 TRP A 41 1.772 -2.632 -13.531 1.00 42.34 C ATOM 579 CE3 TRP A 41 0.662 -4.769 -13.341 1.00 62.12 C ATOM 580 CZ2 TRP A 41 1.730 -2.682 -14.922 1.00 3.52 C ATOM 581 CZ3 TRP A 41 0.619 -4.818 -14.722 1.00 15.33 C ATOM 582 CH2 TRP A 41 1.152 -3.780 -15.500 1.00 11.04 C ATOM 0 H TRP A 41 -0.518 -5.726 -11.026 1.00 3.31 H new ATOM 0 HA TRP A 41 -0.581 -4.022 -8.761 1.00 53.11 H new ATOM 0 HB2 TRP A 41 1.618 -3.671 -9.281 1.00 34.13 H new ATOM 0 HB3 TRP A 41 1.366 -5.097 -10.269 1.00 34.13 H new ATOM 0 HD1 TRP A 41 2.395 -1.505 -10.524 1.00 74.32 H new ATOM 0 HE1 TRP A 41 2.728 -0.806 -12.991 1.00 42.54 H new ATOM 0 HE3 TRP A 41 0.252 -5.574 -12.750 1.00 62.12 H new ATOM 0 HZ2 TRP A 41 2.139 -1.883 -15.523 1.00 3.52 H new ATOM 0 HZ3 TRP A 41 0.168 -5.669 -15.210 1.00 15.33 H new ATOM 0 HH2 TRP A 41 1.105 -3.848 -16.577 1.00 11.04 H new ATOM 592 N LYS A 42 -1.314 -1.770 -9.477 1.00 14.31 N ATOM 593 CA LYS A 42 -1.880 -0.483 -9.862 1.00 30.13 C ATOM 594 C LYS A 42 -1.114 0.665 -9.213 1.00 54.23 C ATOM 595 O LYS A 42 -0.429 0.479 -8.207 1.00 63.34 O ATOM 596 CB LYS A 42 -3.357 -0.414 -9.462 1.00 61.31 C ATOM 597 CG LYS A 42 -3.602 -0.677 -7.987 1.00 35.03 C ATOM 598 CD LYS A 42 -4.101 -2.091 -7.747 1.00 42.22 C ATOM 599 CE LYS A 42 -4.107 -2.437 -6.267 1.00 50.53 C ATOM 600 NZ LYS A 42 -4.825 -1.412 -5.460 1.00 1.51 N ATOM 0 H LYS A 42 -1.169 -1.884 -8.474 1.00 14.31 H new ATOM 0 HA LYS A 42 -1.796 -0.386 -10.944 1.00 30.13 H new ATOM 0 HB2 LYS A 42 -3.748 0.571 -9.716 1.00 61.31 H new ATOM 0 HB3 LYS A 42 -3.918 -1.141 -10.050 1.00 61.31 H new ATOM 0 HG2 LYS A 42 -2.679 -0.517 -7.430 1.00 35.03 H new ATOM 0 HG3 LYS A 42 -4.332 0.037 -7.606 1.00 35.03 H new ATOM 0 HD2 LYS A 42 -5.108 -2.196 -8.150 1.00 42.22 H new ATOM 0 HD3 LYS A 42 -3.468 -2.797 -8.284 1.00 42.22 H new ATOM 0 HE2 LYS A 42 -4.580 -3.409 -6.123 1.00 50.53 H new ATOM 0 HE3 LYS A 42 -3.081 -2.526 -5.911 1.00 50.53 H new ATOM 0 HZ1 LYS A 42 -5.376 -1.881 -4.713 1.00 1.51 H new ATOM 0 HZ2 LYS A 42 -4.135 -0.765 -5.027 1.00 1.51 H new ATOM 0 HZ3 LYS A 42 -5.466 -0.872 -6.076 1.00 1.51 H new ATOM 610 N VAL A 43 -1.233 1.854 -9.798 1.00 2.04 N ATOM 611 CA VAL A 43 -0.553 3.034 -9.274 1.00 71.11 C ATOM 612 C VAL A 43 -1.469 3.834 -8.358 1.00 33.41 C ATOM 613 O VAL A 43 -2.533 4.297 -8.772 1.00 1.21 O ATOM 614 CB VAL A 43 -0.058 3.946 -10.414 1.00 2.14 C ATOM 615 CG1 VAL A 43 0.658 5.164 -9.848 1.00 23.30 C ATOM 616 CG2 VAL A 43 0.849 3.174 -11.358 1.00 73.32 C ATOM 0 H VAL A 43 -1.793 2.025 -10.633 1.00 2.04 H new ATOM 0 HA VAL A 43 0.305 2.680 -8.703 1.00 71.11 H new ATOM 0 HB VAL A 43 -0.922 4.292 -10.982 1.00 2.14 H new ATOM 0 HG11 VAL A 43 1.001 5.797 -10.666 1.00 23.30 H new ATOM 0 HG12 VAL A 43 -0.028 5.728 -9.216 1.00 23.30 H new ATOM 0 HG13 VAL A 43 1.514 4.840 -9.256 1.00 23.30 H new ATOM 0 HG21 VAL A 43 1.189 3.834 -12.156 1.00 73.32 H new ATOM 0 HG22 VAL A 43 1.711 2.797 -10.807 1.00 73.32 H new ATOM 0 HG23 VAL A 43 0.299 2.337 -11.788 1.00 73.32 H new ATOM 626 N LEU A 44 -1.050 3.997 -7.108 1.00 3.02 N ATOM 627 CA LEU A 44 -1.833 4.745 -6.128 1.00 61.03 C ATOM 628 C LEU A 44 -1.419 6.213 -6.107 1.00 1.33 C ATOM 629 O LEU A 44 -0.253 6.543 -6.327 1.00 1.31 O ATOM 630 CB LEU A 44 -1.663 4.134 -4.736 1.00 54.12 C ATOM 631 CG LEU A 44 -2.542 2.922 -4.422 1.00 74.30 C ATOM 632 CD1 LEU A 44 -4.012 3.311 -4.444 1.00 2.12 C ATOM 633 CD2 LEU A 44 -2.271 1.797 -5.411 1.00 4.41 C ATOM 0 H LEU A 44 -0.173 3.622 -6.748 1.00 3.02 H new ATOM 0 HA LEU A 44 -2.882 4.687 -6.417 1.00 61.03 H new ATOM 0 HB2 LEU A 44 -0.620 3.842 -4.614 1.00 54.12 H new ATOM 0 HB3 LEU A 44 -1.866 4.907 -3.995 1.00 54.12 H new ATOM 0 HG LEU A 44 -2.296 2.566 -3.422 1.00 74.30 H new ATOM 0 HD11 LEU A 44 -4.623 2.437 -4.219 1.00 2.12 H new ATOM 0 HD12 LEU A 44 -4.195 4.084 -3.698 1.00 2.12 H new ATOM 0 HD13 LEU A 44 -4.273 3.691 -5.432 1.00 2.12 H new ATOM 0 HD21 LEU A 44 -2.905 0.943 -5.173 1.00 4.41 H new ATOM 0 HD22 LEU A 44 -2.490 2.141 -6.422 1.00 4.41 H new ATOM 0 HD23 LEU A 44 -1.224 1.501 -5.347 1.00 4.41 H new ATOM 644 N SER A 45 -2.381 7.090 -5.837 1.00 40.00 N ATOM 645 CA SER A 45 -2.117 8.523 -5.788 1.00 41.21 C ATOM 646 C SER A 45 -2.549 9.109 -4.448 1.00 22.43 C ATOM 647 O SER A 45 -3.442 8.592 -3.774 1.00 22.01 O ATOM 648 CB SER A 45 -2.845 9.236 -6.928 1.00 55.41 C ATOM 649 OG SER A 45 -2.036 9.297 -8.090 1.00 73.12 O ATOM 0 H SER A 45 -3.350 6.833 -5.649 1.00 40.00 H new ATOM 0 HA SER A 45 -1.044 8.674 -5.902 1.00 41.21 H new ATOM 0 HB2 SER A 45 -3.774 8.712 -7.155 1.00 55.41 H new ATOM 0 HB3 SER A 45 -3.116 10.245 -6.616 1.00 55.41 H new ATOM 0 HG SER A 45 -2.525 9.756 -8.805 1.00 73.12 H new ATOM 654 N PRO A 46 -1.903 10.214 -4.049 1.00 30.42 N ATOM 655 CA PRO A 46 -2.203 10.897 -2.787 1.00 64.44 C ATOM 656 C PRO A 46 -3.566 11.582 -2.808 1.00 32.22 C ATOM 657 O PRO A 46 -3.975 12.198 -1.824 1.00 65.15 O ATOM 658 CB PRO A 46 -1.084 11.934 -2.669 1.00 63.42 C ATOM 659 CG PRO A 46 -0.655 12.188 -4.072 1.00 75.53 C ATOM 660 CD PRO A 46 -0.829 10.885 -4.802 1.00 25.12 C ATOM 0 HA PRO A 46 -2.248 10.202 -1.948 1.00 64.44 H new ATOM 0 HB2 PRO A 46 -1.439 12.847 -2.192 1.00 63.42 H new ATOM 0 HB3 PRO A 46 -0.258 11.559 -2.064 1.00 63.42 H new ATOM 0 HG2 PRO A 46 -1.257 12.974 -4.528 1.00 75.53 H new ATOM 0 HG3 PRO A 46 0.383 12.520 -4.109 1.00 75.53 H new ATOM 0 HD2 PRO A 46 -1.106 11.042 -5.844 1.00 25.12 H new ATOM 0 HD3 PRO A 46 0.090 10.298 -4.802 1.00 25.12 H new ATOM 665 N GLN A 47 -4.262 11.469 -3.935 1.00 71.43 N ATOM 666 CA GLN A 47 -5.578 12.080 -4.082 1.00 42.14 C ATOM 667 C GLN A 47 -6.546 11.124 -4.772 1.00 10.42 C ATOM 668 O GLN A 47 -6.909 11.321 -5.931 1.00 22.15 O ATOM 669 CB GLN A 47 -5.474 13.381 -4.879 1.00 1.33 C ATOM 670 CG GLN A 47 -6.751 14.206 -4.867 1.00 74.15 C ATOM 671 CD GLN A 47 -7.000 14.876 -3.530 1.00 71.33 C ATOM 672 OE1 GLN A 47 -6.682 16.050 -3.343 1.00 1.34 O ATOM 673 NE2 GLN A 47 -7.572 14.130 -2.592 1.00 64.14 N ATOM 0 H GLN A 47 -3.937 10.961 -4.758 1.00 71.43 H new ATOM 0 HA GLN A 47 -5.961 12.302 -3.086 1.00 42.14 H new ATOM 0 HB2 GLN A 47 -4.660 13.981 -4.474 1.00 1.33 H new ATOM 0 HB3 GLN A 47 -5.213 13.145 -5.911 1.00 1.33 H new ATOM 0 HG2 GLN A 47 -6.695 14.967 -5.646 1.00 74.15 H new ATOM 0 HG3 GLN A 47 -7.597 13.563 -5.110 1.00 74.15 H new ATOM 0 HE21 GLN A 47 -7.819 13.161 -2.791 1.00 64.14 H new ATOM 0 HE22 GLN A 47 -7.765 14.526 -1.672 1.00 64.14 H new ATOM 680 N GLY A 48 -6.961 10.087 -4.051 1.00 63.22 N ATOM 681 CA GLY A 48 -7.883 9.115 -4.610 1.00 41.24 C ATOM 682 C GLY A 48 -7.184 8.078 -5.466 1.00 23.40 C ATOM 683 O GLY A 48 -7.259 8.123 -6.694 1.00 40.11 O ATOM 0 H GLY A 48 -6.675 9.902 -3.089 1.00 63.22 H new ATOM 0 HA2 GLY A 48 -8.414 8.615 -3.800 1.00 41.24 H new ATOM 0 HA3 GLY A 48 -8.632 9.632 -5.210 1.00 41.24 H new ATOM 687 N GLY A 49 -6.500 7.140 -4.817 1.00 75.35 N ATOM 688 CA GLY A 49 -5.793 6.102 -5.543 1.00 13.41 C ATOM 689 C GLY A 49 -6.719 5.017 -6.052 1.00 2.12 C ATOM 690 O GLY A 49 -6.556 3.843 -5.718 1.00 10.11 O ATOM 0 H GLY A 49 -6.423 7.081 -3.802 1.00 75.35 H new ATOM 0 HA2 GLY A 49 -5.264 6.548 -6.385 1.00 13.41 H new ATOM 0 HA3 GLY A 49 -5.040 5.657 -4.893 1.00 13.41 H new ATOM 694 N GLY A 50 -7.698 5.407 -6.862 1.00 60.04 N ATOM 695 CA GLY A 50 -8.642 4.446 -7.403 1.00 74.33 C ATOM 696 C GLY A 50 -9.882 4.304 -6.542 1.00 52.31 C ATOM 697 O GLY A 50 -10.014 4.940 -5.496 1.00 34.42 O ATOM 0 H GLY A 50 -7.855 6.372 -7.154 1.00 60.04 H new ATOM 0 HA2 GLY A 50 -8.934 4.754 -8.407 1.00 74.33 H new ATOM 0 HA3 GLY A 50 -8.155 3.475 -7.496 1.00 74.33 H new ATOM 701 N PRO A 51 -10.817 3.450 -6.983 1.00 24.42 N ATOM 702 CA PRO A 51 -12.070 3.206 -6.260 1.00 0.10 C ATOM 703 C PRO A 51 -11.848 2.445 -4.958 1.00 5.41 C ATOM 704 O PRO A 51 -11.561 1.247 -4.969 1.00 43.13 O ATOM 705 CB PRO A 51 -12.886 2.362 -7.241 1.00 60.31 C ATOM 706 CG PRO A 51 -11.871 1.690 -8.100 1.00 30.44 C ATOM 707 CD PRO A 51 -10.726 2.658 -8.220 1.00 43.50 C ATOM 0 HA PRO A 51 -12.560 4.135 -5.966 1.00 0.10 H new ATOM 0 HB2 PRO A 51 -13.505 1.634 -6.717 1.00 60.31 H new ATOM 0 HB3 PRO A 51 -13.557 2.983 -7.834 1.00 60.31 H new ATOM 0 HG2 PRO A 51 -11.543 0.751 -7.655 1.00 30.44 H new ATOM 0 HG3 PRO A 51 -12.285 1.451 -9.080 1.00 30.44 H new ATOM 0 HD2 PRO A 51 -9.769 2.141 -8.297 1.00 43.50 H new ATOM 0 HD3 PRO A 51 -10.821 3.285 -9.106 1.00 43.50 H new ATOM 712 N TRP A 52 -11.984 3.144 -3.837 1.00 72.42 N ATOM 713 CA TRP A 52 -11.798 2.534 -2.527 1.00 24.03 C ATOM 714 C TRP A 52 -12.689 1.306 -2.368 1.00 43.41 C ATOM 715 O TRP A 52 -12.312 0.334 -1.713 1.00 13.32 O ATOM 716 CB TRP A 52 -12.102 3.545 -1.421 1.00 5.43 C ATOM 717 CG TRP A 52 -13.384 4.293 -1.636 1.00 41.22 C ATOM 718 CD1 TRP A 52 -14.643 3.868 -1.319 1.00 21.40 C ATOM 719 CD2 TRP A 52 -13.531 5.592 -2.215 1.00 73.53 C ATOM 720 NE1 TRP A 52 -15.563 4.826 -1.668 1.00 65.54 N ATOM 721 CE2 TRP A 52 -14.908 5.895 -2.220 1.00 52.53 C ATOM 722 CE3 TRP A 52 -12.634 6.533 -2.731 1.00 23.21 C ATOM 723 CZ2 TRP A 52 -15.405 7.095 -2.718 1.00 60.43 C ATOM 724 CZ3 TRP A 52 -13.130 7.724 -3.227 1.00 13.22 C ATOM 725 CH2 TRP A 52 -14.504 7.997 -3.217 1.00 4.11 C ATOM 0 H TRP A 52 -12.223 4.135 -3.810 1.00 72.42 H new ATOM 0 HA TRP A 52 -10.757 2.220 -2.445 1.00 24.03 H new ATOM 0 HB2 TRP A 52 -12.150 3.024 -0.465 1.00 5.43 H new ATOM 0 HB3 TRP A 52 -11.280 4.258 -1.354 1.00 5.43 H new ATOM 0 HD1 TRP A 52 -14.880 2.919 -0.861 1.00 21.40 H new ATOM 0 HE1 TRP A 52 -16.572 4.753 -1.537 1.00 65.54 H new ATOM 0 HE3 TRP A 52 -11.573 6.333 -2.742 1.00 23.21 H new ATOM 0 HZ2 TRP A 52 -16.464 7.308 -2.711 1.00 60.43 H new ATOM 0 HZ3 TRP A 52 -12.446 8.457 -3.629 1.00 13.22 H new ATOM 0 HH2 TRP A 52 -14.860 8.938 -3.611 1.00 4.11 H new ATOM 735 N ASP A 53 -13.871 1.356 -2.972 1.00 52.13 N ATOM 736 CA ASP A 53 -14.814 0.246 -2.899 1.00 23.11 C ATOM 737 C ASP A 53 -14.248 -0.996 -3.580 1.00 71.51 C ATOM 738 O ASP A 53 -14.576 -2.123 -3.211 1.00 11.32 O ATOM 739 CB ASP A 53 -16.144 0.636 -3.546 1.00 71.42 C ATOM 740 CG ASP A 53 -17.201 -0.440 -3.392 1.00 42.30 C ATOM 741 OD1 ASP A 53 -17.908 -0.435 -2.364 1.00 30.25 O ATOM 742 OD2 ASP A 53 -17.318 -1.289 -4.302 1.00 4.32 O ATOM 0 H ASP A 53 -14.199 2.153 -3.518 1.00 52.13 H new ATOM 0 HA ASP A 53 -14.983 0.015 -1.847 1.00 23.11 H new ATOM 0 HB2 ASP A 53 -16.505 1.562 -3.098 1.00 71.42 H new ATOM 0 HB3 ASP A 53 -15.984 0.835 -4.606 1.00 71.42 H new ATOM 746 N SER A 54 -13.396 -0.780 -4.578 1.00 4.02 N ATOM 747 CA SER A 54 -12.788 -1.881 -5.315 1.00 10.14 C ATOM 748 C SER A 54 -11.452 -2.278 -4.694 1.00 72.12 C ATOM 749 O SER A 54 -11.151 -3.462 -4.539 1.00 75.43 O ATOM 750 CB SER A 54 -12.586 -1.493 -6.780 1.00 61.13 C ATOM 751 OG SER A 54 -13.542 -0.529 -7.187 1.00 73.12 O ATOM 0 H SER A 54 -13.112 0.147 -4.894 1.00 4.02 H new ATOM 0 HA SER A 54 -13.462 -2.736 -5.263 1.00 10.14 H new ATOM 0 HB2 SER A 54 -11.581 -1.095 -6.919 1.00 61.13 H new ATOM 0 HB3 SER A 54 -12.668 -2.379 -7.409 1.00 61.13 H new ATOM 0 HG SER A 54 -13.609 -0.528 -8.165 1.00 73.12 H new ATOM 756 N VAL A 55 -10.651 -1.277 -4.338 1.00 71.53 N ATOM 757 CA VAL A 55 -9.346 -1.518 -3.734 1.00 33.10 C ATOM 758 C VAL A 55 -9.217 -0.793 -2.398 1.00 62.13 C ATOM 759 O VAL A 55 -9.688 -1.276 -1.371 1.00 3.52 O ATOM 760 CB VAL A 55 -8.204 -1.066 -4.664 1.00 25.20 C ATOM 761 CG1 VAL A 55 -7.811 -2.190 -5.612 1.00 34.14 C ATOM 762 CG2 VAL A 55 -8.609 0.178 -5.439 1.00 23.51 C ATOM 0 H VAL A 55 -10.884 -0.291 -4.458 1.00 71.53 H new ATOM 0 HA VAL A 55 -9.266 -2.593 -3.570 1.00 33.10 H new ATOM 0 HB VAL A 55 -7.337 -0.819 -4.052 1.00 25.20 H new ATOM 0 HG11 VAL A 55 -7.003 -1.853 -6.261 1.00 34.14 H new ATOM 0 HG12 VAL A 55 -7.477 -3.052 -5.035 1.00 34.14 H new ATOM 0 HG13 VAL A 55 -8.671 -2.471 -6.219 1.00 34.14 H new ATOM 0 HG21 VAL A 55 -7.790 0.483 -6.091 1.00 23.51 H new ATOM 0 HG22 VAL A 55 -9.491 -0.040 -6.042 1.00 23.51 H new ATOM 0 HG23 VAL A 55 -8.837 0.984 -4.741 1.00 23.51 H new ATOM 772 N ALA A 56 -8.576 0.370 -2.424 1.00 13.11 N ATOM 773 CA ALA A 56 -8.387 1.164 -1.216 1.00 13.02 C ATOM 774 C ALA A 56 -8.257 2.648 -1.548 1.00 40.32 C ATOM 775 O ALA A 56 -8.212 3.029 -2.717 1.00 54.44 O ATOM 776 CB ALA A 56 -7.160 0.683 -0.455 1.00 4.51 C ATOM 0 H ALA A 56 -8.179 0.784 -3.268 1.00 13.11 H new ATOM 0 HA ALA A 56 -9.267 1.035 -0.585 1.00 13.02 H new ATOM 0 HB1 ALA A 56 -7.031 1.285 0.445 1.00 4.51 H new ATOM 0 HB2 ALA A 56 -7.291 -0.363 -0.177 1.00 4.51 H new ATOM 0 HB3 ALA A 56 -6.278 0.782 -1.087 1.00 4.51 H new ATOM 782 N ARG A 57 -8.200 3.478 -0.512 1.00 52.21 N ATOM 783 CA ARG A 57 -8.078 4.919 -0.695 1.00 23.05 C ATOM 784 C ARG A 57 -6.836 5.454 0.013 1.00 44.01 C ATOM 785 O ARG A 57 -6.253 4.778 0.861 1.00 71.23 O ATOM 786 CB ARG A 57 -9.324 5.629 -0.164 1.00 25.42 C ATOM 787 CG ARG A 57 -10.112 4.807 0.843 1.00 3.34 C ATOM 788 CD ARG A 57 -9.324 4.592 2.126 1.00 53.42 C ATOM 789 NE ARG A 57 -9.750 5.499 3.188 1.00 23.31 N ATOM 790 CZ ARG A 57 -10.888 5.361 3.859 1.00 63.31 C ATOM 791 NH1 ARG A 57 -11.710 4.359 3.579 1.00 74.33 N ATOM 792 NH2 ARG A 57 -11.207 6.228 4.812 1.00 2.12 N ATOM 0 H ARG A 57 -8.236 3.178 0.462 1.00 52.21 H new ATOM 0 HA ARG A 57 -7.981 5.117 -1.762 1.00 23.05 H new ATOM 0 HB2 ARG A 57 -9.026 6.569 0.301 1.00 25.42 H new ATOM 0 HB3 ARG A 57 -9.973 5.880 -1.003 1.00 25.42 H new ATOM 0 HG2 ARG A 57 -11.050 5.312 1.072 1.00 3.34 H new ATOM 0 HG3 ARG A 57 -10.368 3.842 0.406 1.00 3.34 H new ATOM 0 HD2 ARG A 57 -9.447 3.561 2.459 1.00 53.42 H new ATOM 0 HD3 ARG A 57 -8.262 4.739 1.928 1.00 53.42 H new ATOM 0 HE ARG A 57 -9.141 6.281 3.428 1.00 23.31 H new ATOM 0 HH11 ARG A 57 -11.469 3.691 2.846 1.00 74.33 H new ATOM 0 HH12 ARG A 57 -12.583 4.256 4.096 1.00 74.33 H new ATOM 0 HH21 ARG A 57 -10.578 7.001 5.030 1.00 2.12 H new ATOM 0 HH22 ARG A 57 -12.081 6.121 5.327 1.00 2.12 H new ATOM 803 N VAL A 58 -6.437 6.671 -0.343 1.00 42.51 N ATOM 804 CA VAL A 58 -5.264 7.295 0.258 1.00 31.54 C ATOM 805 C VAL A 58 -5.667 8.417 1.209 1.00 54.13 C ATOM 806 O VAL A 58 -6.461 9.290 0.857 1.00 31.11 O ATOM 807 CB VAL A 58 -4.320 7.864 -0.818 1.00 14.32 C ATOM 808 CG1 VAL A 58 -3.279 8.776 -0.186 1.00 3.42 C ATOM 809 CG2 VAL A 58 -3.652 6.736 -1.591 1.00 33.43 C ATOM 0 H VAL A 58 -6.908 7.244 -1.043 1.00 42.51 H new ATOM 0 HA VAL A 58 -4.741 6.518 0.817 1.00 31.54 H new ATOM 0 HB VAL A 58 -4.910 8.455 -1.519 1.00 14.32 H new ATOM 0 HG11 VAL A 58 -2.621 9.169 -0.961 1.00 3.42 H new ATOM 0 HG12 VAL A 58 -3.778 9.603 0.319 1.00 3.42 H new ATOM 0 HG13 VAL A 58 -2.691 8.211 0.537 1.00 3.42 H new ATOM 0 HG21 VAL A 58 -2.989 7.156 -2.347 1.00 33.43 H new ATOM 0 HG22 VAL A 58 -3.074 6.117 -0.905 1.00 33.43 H new ATOM 0 HG23 VAL A 58 -4.414 6.126 -2.076 1.00 33.43 H new ATOM 819 N LEU A 59 -5.114 8.388 2.417 1.00 40.34 N ATOM 820 CA LEU A 59 -5.413 9.402 3.420 1.00 2.02 C ATOM 821 C LEU A 59 -4.814 10.749 3.029 1.00 21.33 C ATOM 822 O LEU A 59 -3.879 10.833 2.232 1.00 22.44 O ATOM 823 CB LEU A 59 -4.877 8.970 4.787 1.00 72.50 C ATOM 824 CG LEU A 59 -5.729 7.957 5.552 1.00 53.40 C ATOM 825 CD1 LEU A 59 -4.971 7.428 6.760 1.00 22.15 C ATOM 826 CD2 LEU A 59 -7.048 8.583 5.979 1.00 40.20 C ATOM 0 H LEU A 59 -4.456 7.672 2.725 1.00 40.34 H new ATOM 0 HA LEU A 59 -6.496 9.510 3.479 1.00 2.02 H new ATOM 0 HB2 LEU A 59 -3.882 8.547 4.648 1.00 72.50 H new ATOM 0 HB3 LEU A 59 -4.761 9.859 5.407 1.00 72.50 H new ATOM 0 HG LEU A 59 -5.946 7.119 4.889 1.00 53.40 H new ATOM 0 HD11 LEU A 59 -5.592 6.708 7.293 1.00 22.15 H new ATOM 0 HD12 LEU A 59 -4.054 6.941 6.429 1.00 22.15 H new ATOM 0 HD13 LEU A 59 -4.723 8.255 7.425 1.00 22.15 H new ATOM 0 HD21 LEU A 59 -7.641 7.847 6.522 1.00 40.20 H new ATOM 0 HD22 LEU A 59 -6.852 9.439 6.625 1.00 40.20 H new ATOM 0 HD23 LEU A 59 -7.597 8.912 5.097 1.00 40.20 H new ATOM 837 N PRO A 60 -5.362 11.830 3.603 1.00 25.32 N ATOM 838 CA PRO A 60 -4.896 13.193 3.332 1.00 3.22 C ATOM 839 C PRO A 60 -3.515 13.461 3.919 1.00 1.10 C ATOM 840 O PRO A 60 -2.804 14.360 3.472 1.00 21.15 O ATOM 841 CB PRO A 60 -5.947 14.070 4.016 1.00 32.22 C ATOM 842 CG PRO A 60 -6.516 13.212 5.093 1.00 2.31 C ATOM 843 CD PRO A 60 -6.480 11.805 4.563 1.00 30.34 C ATOM 0 HA PRO A 60 -4.792 13.383 2.264 1.00 3.22 H new ATOM 0 HB2 PRO A 60 -5.500 14.976 4.426 1.00 32.22 H new ATOM 0 HB3 PRO A 60 -6.718 14.385 3.313 1.00 32.22 H new ATOM 0 HG2 PRO A 60 -5.933 13.299 6.010 1.00 2.31 H new ATOM 0 HG3 PRO A 60 -7.536 13.513 5.334 1.00 2.31 H new ATOM 0 HD2 PRO A 60 -6.310 11.080 5.359 1.00 30.34 H new ATOM 0 HD3 PRO A 60 -7.419 11.534 4.080 1.00 30.34 H new ATOM 848 N ASN A 61 -3.141 12.675 4.924 1.00 23.41 N ATOM 849 CA ASN A 61 -1.845 12.828 5.573 1.00 75.24 C ATOM 850 C ASN A 61 -0.756 12.096 4.793 1.00 23.21 C ATOM 851 O ASN A 61 0.407 12.083 5.193 1.00 43.23 O ATOM 852 CB ASN A 61 -1.903 12.301 7.007 1.00 34.35 C ATOM 853 CG ASN A 61 -2.595 10.956 7.101 1.00 24.32 C ATOM 854 OD1 ASN A 61 -2.627 10.192 6.135 1.00 20.23 O ATOM 855 ND2 ASN A 61 -3.156 10.657 8.267 1.00 14.12 N ATOM 0 H ASN A 61 -3.718 11.926 5.306 1.00 23.41 H new ATOM 0 HA ASN A 61 -1.601 13.890 5.594 1.00 75.24 H new ATOM 0 HB2 ASN A 61 -0.890 12.214 7.400 1.00 34.35 H new ATOM 0 HB3 ASN A 61 -2.428 13.021 7.635 1.00 34.35 H new ATOM 0 HD21 ASN A 61 -3.637 9.766 8.388 1.00 14.12 H new ATOM 0 HD22 ASN A 61 -3.106 11.319 9.042 1.00 14.12 H new ATOM 861 N GLY A 62 -1.144 11.485 3.676 1.00 33.42 N ATOM 862 CA GLY A 62 -0.191 10.759 2.858 1.00 24.04 C ATOM 863 C GLY A 62 -0.080 9.300 3.254 1.00 21.51 C ATOM 864 O GLY A 62 0.968 8.680 3.077 1.00 62.11 O ATOM 0 H GLY A 62 -2.101 11.481 3.324 1.00 33.42 H new ATOM 0 HA2 GLY A 62 -0.489 10.827 1.812 1.00 24.04 H new ATOM 0 HA3 GLY A 62 0.788 11.230 2.941 1.00 24.04 H new ATOM 868 N SER A 63 -1.164 8.751 3.794 1.00 72.21 N ATOM 869 CA SER A 63 -1.182 7.357 4.221 1.00 1.22 C ATOM 870 C SER A 63 -2.109 6.529 3.334 1.00 33.33 C ATOM 871 O SER A 63 -2.707 7.044 2.389 1.00 72.13 O ATOM 872 CB SER A 63 -1.630 7.256 5.681 1.00 45.33 C ATOM 873 OG SER A 63 -0.574 7.597 6.562 1.00 34.33 O ATOM 0 H SER A 63 -2.040 9.250 3.946 1.00 72.21 H new ATOM 0 HA SER A 63 -0.171 6.961 4.130 1.00 1.22 H new ATOM 0 HB2 SER A 63 -2.478 7.919 5.851 1.00 45.33 H new ATOM 0 HB3 SER A 63 -1.970 6.242 5.891 1.00 45.33 H new ATOM 0 HG SER A 63 -0.885 7.527 7.489 1.00 34.33 H new ATOM 878 N LEU A 64 -2.222 5.243 3.646 1.00 21.14 N ATOM 879 CA LEU A 64 -3.075 4.341 2.880 1.00 20.53 C ATOM 880 C LEU A 64 -4.012 3.565 3.800 1.00 44.25 C ATOM 881 O LEU A 64 -3.575 2.956 4.777 1.00 63.31 O ATOM 882 CB LEU A 64 -2.220 3.370 2.063 1.00 22.45 C ATOM 883 CG LEU A 64 -2.954 2.579 0.979 1.00 73.21 C ATOM 884 CD1 LEU A 64 -3.216 3.457 -0.235 1.00 73.35 C ATOM 885 CD2 LEU A 64 -2.153 1.347 0.586 1.00 1.21 C ATOM 0 H LEU A 64 -1.733 4.801 4.425 1.00 21.14 H new ATOM 0 HA LEU A 64 -3.680 4.941 2.200 1.00 20.53 H new ATOM 0 HB2 LEU A 64 -1.415 3.934 1.591 1.00 22.45 H new ATOM 0 HB3 LEU A 64 -1.754 2.662 2.749 1.00 22.45 H new ATOM 0 HG LEU A 64 -3.914 2.252 1.379 1.00 73.21 H new ATOM 0 HD11 LEU A 64 -3.739 2.878 -0.996 1.00 73.35 H new ATOM 0 HD12 LEU A 64 -3.829 4.309 0.058 1.00 73.35 H new ATOM 0 HD13 LEU A 64 -2.268 3.814 -0.638 1.00 73.35 H new ATOM 0 HD21 LEU A 64 -2.689 0.795 -0.186 1.00 1.21 H new ATOM 0 HD22 LEU A 64 -1.179 1.653 0.203 1.00 1.21 H new ATOM 0 HD23 LEU A 64 -2.016 0.709 1.459 1.00 1.21 H new ATOM 896 N PHE A 65 -5.301 3.587 3.478 1.00 75.33 N ATOM 897 CA PHE A 65 -6.300 2.884 4.275 1.00 75.42 C ATOM 898 C PHE A 65 -7.120 1.937 3.405 1.00 64.45 C ATOM 899 O PHE A 65 -7.558 2.301 2.312 1.00 3.12 O ATOM 900 CB PHE A 65 -7.225 3.884 4.972 1.00 71.13 C ATOM 901 CG PHE A 65 -8.058 3.272 6.062 1.00 54.42 C ATOM 902 CD1 PHE A 65 -9.073 2.381 5.758 1.00 64.33 C ATOM 903 CD2 PHE A 65 -7.821 3.586 7.390 1.00 71.22 C ATOM 904 CE1 PHE A 65 -9.841 1.818 6.759 1.00 63.41 C ATOM 905 CE2 PHE A 65 -8.586 3.025 8.396 1.00 25.10 C ATOM 906 CZ PHE A 65 -9.596 2.138 8.080 1.00 35.11 C ATOM 0 H PHE A 65 -5.678 4.084 2.671 1.00 75.33 H new ATOM 0 HA PHE A 65 -5.778 2.296 5.030 1.00 75.42 H new ATOM 0 HB2 PHE A 65 -6.624 4.689 5.394 1.00 71.13 H new ATOM 0 HB3 PHE A 65 -7.885 4.334 4.230 1.00 71.13 H new ATOM 0 HD1 PHE A 65 -9.267 2.123 4.727 1.00 64.33 H new ATOM 0 HD2 PHE A 65 -7.030 4.277 7.643 1.00 71.22 H new ATOM 0 HE1 PHE A 65 -10.633 1.128 6.509 1.00 63.41 H new ATOM 0 HE2 PHE A 65 -8.394 3.280 9.428 1.00 25.10 H new ATOM 0 HZ PHE A 65 -10.193 1.696 8.864 1.00 35.11 H new ATOM 915 N LEU A 66 -7.324 0.718 3.894 1.00 31.03 N ATOM 916 CA LEU A 66 -8.092 -0.283 3.162 1.00 13.13 C ATOM 917 C LEU A 66 -9.375 -0.636 3.906 1.00 30.24 C ATOM 918 O LEU A 66 -9.358 -1.031 5.072 1.00 45.12 O ATOM 919 CB LEU A 66 -7.250 -1.542 2.948 1.00 61.21 C ATOM 920 CG LEU A 66 -5.970 -1.364 2.131 1.00 44.03 C ATOM 921 CD1 LEU A 66 -4.802 -1.013 3.037 1.00 2.13 C ATOM 922 CD2 LEU A 66 -5.669 -2.623 1.331 1.00 44.01 C ATOM 0 H LEU A 66 -6.968 0.399 4.795 1.00 31.03 H new ATOM 0 HA LEU A 66 -8.360 0.137 2.193 1.00 13.13 H new ATOM 0 HB2 LEU A 66 -6.981 -1.945 3.924 1.00 61.21 H new ATOM 0 HB3 LEU A 66 -7.871 -2.290 2.455 1.00 61.21 H new ATOM 0 HG LEU A 66 -6.119 -0.541 1.432 1.00 44.03 H new ATOM 0 HD11 LEU A 66 -3.900 -0.890 2.437 1.00 2.13 H new ATOM 0 HD12 LEU A 66 -5.017 -0.083 3.564 1.00 2.13 H new ATOM 0 HD13 LEU A 66 -4.650 -1.813 3.761 1.00 2.13 H new ATOM 0 HD21 LEU A 66 -4.755 -2.478 0.755 1.00 44.01 H new ATOM 0 HD22 LEU A 66 -5.540 -3.465 2.012 1.00 44.01 H new ATOM 0 HD23 LEU A 66 -6.496 -2.829 0.652 1.00 44.01 H new ATOM 933 N PRO A 67 -10.517 -0.491 3.217 1.00 64.31 N ATOM 934 CA PRO A 67 -11.832 -0.792 3.792 1.00 43.11 C ATOM 935 C PRO A 67 -12.040 -2.286 4.012 1.00 24.14 C ATOM 936 O PRO A 67 -12.732 -2.694 4.945 1.00 13.31 O ATOM 937 CB PRO A 67 -12.809 -0.267 2.737 1.00 70.34 C ATOM 938 CG PRO A 67 -12.044 -0.307 1.459 1.00 32.42 C ATOM 939 CD PRO A 67 -10.613 -0.024 1.824 1.00 64.23 C ATOM 0 HA PRO A 67 -11.960 -0.339 4.775 1.00 43.11 H new ATOM 0 HB2 PRO A 67 -13.704 -0.887 2.682 1.00 70.34 H new ATOM 0 HB3 PRO A 67 -13.137 0.746 2.970 1.00 70.34 H new ATOM 0 HG2 PRO A 67 -12.139 -1.280 0.978 1.00 32.42 H new ATOM 0 HG3 PRO A 67 -12.421 0.435 0.755 1.00 32.42 H new ATOM 0 HD2 PRO A 67 -9.920 -0.556 1.173 1.00 64.23 H new ATOM 0 HD3 PRO A 67 -10.379 1.037 1.739 1.00 64.23 H new ATOM 944 N ALA A 68 -11.436 -3.098 3.151 1.00 33.53 N ATOM 945 CA ALA A 68 -11.553 -4.546 3.255 1.00 44.03 C ATOM 946 C ALA A 68 -10.506 -5.245 2.393 1.00 13.11 C ATOM 947 O ALA A 68 -10.656 -5.348 1.176 1.00 63.21 O ATOM 948 CB ALA A 68 -12.951 -4.993 2.854 1.00 33.32 C ATOM 0 H ALA A 68 -10.860 -2.777 2.373 1.00 33.53 H new ATOM 0 HA ALA A 68 -11.377 -4.826 4.294 1.00 44.03 H new ATOM 0 HB1 ALA A 68 -13.024 -6.077 2.937 1.00 33.32 H new ATOM 0 HB2 ALA A 68 -13.685 -4.529 3.513 1.00 33.32 H new ATOM 0 HB3 ALA A 68 -13.147 -4.693 1.825 1.00 33.32 H new ATOM 954 N VAL A 69 -9.443 -5.722 3.034 1.00 64.11 N ATOM 955 CA VAL A 69 -8.371 -6.411 2.326 1.00 64.44 C ATOM 956 C VAL A 69 -8.821 -7.790 1.854 1.00 34.51 C ATOM 957 O VAL A 69 -9.097 -8.674 2.662 1.00 51.35 O ATOM 958 CB VAL A 69 -7.122 -6.568 3.214 1.00 4.54 C ATOM 959 CG1 VAL A 69 -6.566 -5.206 3.599 1.00 73.11 C ATOM 960 CG2 VAL A 69 -7.450 -7.388 4.453 1.00 15.34 C ATOM 0 H VAL A 69 -9.302 -5.644 4.041 1.00 64.11 H new ATOM 0 HA VAL A 69 -8.119 -5.798 1.461 1.00 64.44 H new ATOM 0 HB VAL A 69 -6.358 -7.099 2.646 1.00 4.54 H new ATOM 0 HG11 VAL A 69 -5.684 -5.337 4.226 1.00 73.11 H new ATOM 0 HG12 VAL A 69 -6.292 -4.657 2.698 1.00 73.11 H new ATOM 0 HG13 VAL A 69 -7.323 -4.646 4.149 1.00 73.11 H new ATOM 0 HG21 VAL A 69 -6.557 -7.489 5.069 1.00 15.34 H new ATOM 0 HG22 VAL A 69 -8.231 -6.886 5.025 1.00 15.34 H new ATOM 0 HG23 VAL A 69 -7.798 -8.377 4.153 1.00 15.34 H new ATOM 970 N GLY A 70 -8.892 -7.963 0.538 1.00 43.15 N ATOM 971 CA GLY A 70 -9.309 -9.236 -0.021 1.00 5.31 C ATOM 972 C GLY A 70 -8.134 -10.118 -0.395 1.00 3.52 C ATOM 973 O GLY A 70 -7.018 -9.632 -0.580 1.00 21.34 O ATOM 0 H GLY A 70 -8.668 -7.245 -0.151 1.00 43.15 H new ATOM 0 HA2 GLY A 70 -9.936 -9.759 0.701 1.00 5.31 H new ATOM 0 HA3 GLY A 70 -9.922 -9.058 -0.905 1.00 5.31 H new ATOM 977 N ILE A 71 -8.383 -11.419 -0.503 1.00 30.23 N ATOM 978 CA ILE A 71 -7.336 -12.371 -0.855 1.00 21.24 C ATOM 979 C ILE A 71 -6.639 -11.967 -2.149 1.00 72.10 C ATOM 980 O ILE A 71 -5.452 -12.234 -2.335 1.00 62.34 O ATOM 981 CB ILE A 71 -7.901 -13.795 -1.012 1.00 11.11 C ATOM 982 CG1 ILE A 71 -6.889 -14.826 -0.505 1.00 24.32 C ATOM 983 CG2 ILE A 71 -8.258 -14.066 -2.465 1.00 73.34 C ATOM 984 CD1 ILE A 71 -6.843 -16.088 -1.339 1.00 61.11 C ATOM 0 H ILE A 71 -9.301 -11.838 -0.352 1.00 30.23 H new ATOM 0 HA ILE A 71 -6.614 -12.363 -0.039 1.00 21.24 H new ATOM 0 HB ILE A 71 -8.809 -13.879 -0.414 1.00 11.11 H new ATOM 0 HG12 ILE A 71 -5.898 -14.373 -0.490 1.00 24.32 H new ATOM 0 HG13 ILE A 71 -7.135 -15.089 0.524 1.00 24.32 H new ATOM 0 HG21 ILE A 71 -8.656 -15.076 -2.560 1.00 73.34 H new ATOM 0 HG22 ILE A 71 -9.009 -13.348 -2.795 1.00 73.34 H new ATOM 0 HG23 ILE A 71 -7.366 -13.968 -3.083 1.00 73.34 H new ATOM 0 HD11 ILE A 71 -6.105 -16.773 -0.922 1.00 61.11 H new ATOM 0 HD12 ILE A 71 -7.824 -16.564 -1.333 1.00 61.11 H new ATOM 0 HD13 ILE A 71 -6.567 -15.837 -2.363 1.00 61.11 H new ATOM 995 N GLN A 72 -7.385 -11.320 -3.039 1.00 74.34 N ATOM 996 CA GLN A 72 -6.838 -10.877 -4.316 1.00 20.11 C ATOM 997 C GLN A 72 -5.988 -9.622 -4.139 1.00 54.15 C ATOM 998 O GLN A 72 -5.120 -9.327 -4.961 1.00 64.22 O ATOM 999 CB GLN A 72 -7.967 -10.606 -5.313 1.00 40.43 C ATOM 1000 CG GLN A 72 -8.364 -11.826 -6.128 1.00 21.42 C ATOM 1001 CD GLN A 72 -9.594 -11.582 -6.980 1.00 55.33 C ATOM 1002 OE1 GLN A 72 -10.521 -12.392 -6.997 1.00 50.33 O ATOM 1003 NE2 GLN A 72 -9.607 -10.463 -7.695 1.00 21.13 N ATOM 0 H GLN A 72 -8.369 -11.091 -2.899 1.00 74.34 H new ATOM 0 HA GLN A 72 -6.202 -11.672 -4.705 1.00 20.11 H new ATOM 0 HB2 GLN A 72 -8.840 -10.242 -4.771 1.00 40.43 H new ATOM 0 HB3 GLN A 72 -7.658 -9.811 -5.991 1.00 40.43 H new ATOM 0 HG2 GLN A 72 -7.533 -12.115 -6.771 1.00 21.42 H new ATOM 0 HG3 GLN A 72 -8.553 -12.662 -5.455 1.00 21.42 H new ATOM 0 HE21 GLN A 72 -8.816 -9.820 -7.650 1.00 21.13 H new ATOM 0 HE22 GLN A 72 -10.408 -10.247 -8.289 1.00 21.13 H new ATOM 1010 N ASP A 73 -6.242 -8.889 -3.062 1.00 61.12 N ATOM 1011 CA ASP A 73 -5.501 -7.666 -2.777 1.00 31.21 C ATOM 1012 C ASP A 73 -4.108 -7.988 -2.245 1.00 12.14 C ATOM 1013 O ASP A 73 -3.300 -7.090 -2.009 1.00 22.22 O ATOM 1014 CB ASP A 73 -6.260 -6.808 -1.764 1.00 22.02 C ATOM 1015 CG ASP A 73 -7.211 -5.833 -2.429 1.00 74.15 C ATOM 1016 OD1 ASP A 73 -7.478 -5.995 -3.640 1.00 14.43 O ATOM 1017 OD2 ASP A 73 -7.691 -4.907 -1.741 1.00 42.42 O ATOM 0 H ASP A 73 -6.956 -9.120 -2.371 1.00 61.12 H new ATOM 0 HA ASP A 73 -5.397 -7.108 -3.708 1.00 31.21 H new ATOM 0 HB2 ASP A 73 -6.821 -7.456 -1.091 1.00 22.02 H new ATOM 0 HB3 ASP A 73 -5.546 -6.255 -1.153 1.00 22.02 H new ATOM 1021 N GLU A 74 -3.834 -9.276 -2.056 1.00 73.41 N ATOM 1022 CA GLU A 74 -2.539 -9.715 -1.550 1.00 70.35 C ATOM 1023 C GLU A 74 -1.408 -9.219 -2.447 1.00 11.11 C ATOM 1024 O GLU A 74 -1.549 -9.162 -3.667 1.00 34.34 O ATOM 1025 CB GLU A 74 -2.496 -11.241 -1.453 1.00 41.50 C ATOM 1026 CG GLU A 74 -2.675 -11.942 -2.790 1.00 20.11 C ATOM 1027 CD GLU A 74 -1.356 -12.348 -3.417 1.00 64.24 C ATOM 1028 OE1 GLU A 74 -0.672 -13.223 -2.845 1.00 62.12 O ATOM 1029 OE2 GLU A 74 -1.006 -11.790 -4.479 1.00 4.52 O ATOM 0 H GLU A 74 -4.491 -10.032 -2.246 1.00 73.41 H new ATOM 0 HA GLU A 74 -2.403 -9.291 -0.555 1.00 70.35 H new ATOM 0 HB2 GLU A 74 -1.542 -11.542 -1.019 1.00 41.50 H new ATOM 0 HB3 GLU A 74 -3.277 -11.575 -0.770 1.00 41.50 H new ATOM 0 HG2 GLU A 74 -3.295 -12.828 -2.651 1.00 20.11 H new ATOM 0 HG3 GLU A 74 -3.210 -11.282 -3.473 1.00 20.11 H new ATOM 1034 N GLY A 75 -0.286 -8.861 -1.830 1.00 21.50 N ATOM 1035 CA GLY A 75 0.853 -8.374 -2.586 1.00 74.12 C ATOM 1036 C GLY A 75 1.811 -7.563 -1.736 1.00 2.30 C ATOM 1037 O GLY A 75 1.958 -7.819 -0.541 1.00 0.31 O ATOM 0 H GLY A 75 -0.146 -8.900 -0.820 1.00 21.50 H new ATOM 0 HA2 GLY A 75 1.385 -9.220 -3.020 1.00 74.12 H new ATOM 0 HA3 GLY A 75 0.499 -7.761 -3.415 1.00 74.12 H new ATOM 1041 N ILE A 76 2.464 -6.584 -2.353 1.00 1.40 N ATOM 1042 CA ILE A 76 3.413 -5.735 -1.643 1.00 60.50 C ATOM 1043 C ILE A 76 3.146 -4.260 -1.924 1.00 1.14 C ATOM 1044 O ILE A 76 2.892 -3.870 -3.063 1.00 20.13 O ATOM 1045 CB ILE A 76 4.865 -6.066 -2.033 1.00 74.10 C ATOM 1046 CG1 ILE A 76 5.082 -7.580 -2.044 1.00 11.54 C ATOM 1047 CG2 ILE A 76 5.838 -5.392 -1.077 1.00 23.33 C ATOM 1048 CD1 ILE A 76 4.824 -8.236 -0.704 1.00 51.25 C ATOM 0 H ILE A 76 2.354 -6.359 -3.342 1.00 1.40 H new ATOM 0 HA ILE A 76 3.278 -5.930 -0.579 1.00 60.50 H new ATOM 0 HB ILE A 76 5.051 -5.685 -3.037 1.00 74.10 H new ATOM 0 HG12 ILE A 76 4.427 -8.028 -2.791 1.00 11.54 H new ATOM 0 HG13 ILE A 76 6.106 -7.790 -2.351 1.00 11.54 H new ATOM 0 HG21 ILE A 76 6.860 -5.636 -1.366 1.00 23.33 H new ATOM 0 HG22 ILE A 76 5.698 -4.312 -1.117 1.00 23.33 H new ATOM 0 HG23 ILE A 76 5.654 -5.745 -0.062 1.00 23.33 H new ATOM 0 HD11 ILE A 76 4.997 -9.309 -0.785 1.00 51.25 H new ATOM 0 HD12 ILE A 76 5.497 -7.815 0.043 1.00 51.25 H new ATOM 0 HD13 ILE A 76 3.792 -8.057 -0.404 1.00 51.25 H new ATOM 1059 N PHE A 77 3.208 -3.443 -0.877 1.00 4.41 N ATOM 1060 CA PHE A 77 2.974 -2.012 -1.009 1.00 74.51 C ATOM 1061 C PHE A 77 4.292 -1.243 -1.013 1.00 52.22 C ATOM 1062 O PHE A 77 5.124 -1.413 -0.121 1.00 31.32 O ATOM 1063 CB PHE A 77 2.083 -1.510 0.128 1.00 31.33 C ATOM 1064 CG PHE A 77 0.683 -2.055 0.078 1.00 22.02 C ATOM 1065 CD1 PHE A 77 0.445 -3.408 0.258 1.00 14.41 C ATOM 1066 CD2 PHE A 77 -0.394 -1.215 -0.150 1.00 72.23 C ATOM 1067 CE1 PHE A 77 -0.839 -3.913 0.214 1.00 45.23 C ATOM 1068 CE2 PHE A 77 -1.682 -1.713 -0.197 1.00 2.21 C ATOM 1069 CZ PHE A 77 -1.905 -3.065 -0.016 1.00 12.51 C ATOM 0 H PHE A 77 3.419 -3.750 0.073 1.00 4.41 H new ATOM 0 HA PHE A 77 2.469 -1.840 -1.959 1.00 74.51 H new ATOM 0 HB2 PHE A 77 2.536 -1.782 1.081 1.00 31.33 H new ATOM 0 HB3 PHE A 77 2.042 -0.421 0.093 1.00 31.33 H new ATOM 0 HD1 PHE A 77 1.275 -4.076 0.435 1.00 14.41 H new ATOM 0 HD2 PHE A 77 -0.225 -0.158 -0.293 1.00 72.23 H new ATOM 0 HE1 PHE A 77 -1.010 -4.969 0.359 1.00 45.23 H new ATOM 0 HE2 PHE A 77 -2.513 -1.047 -0.375 1.00 2.21 H new ATOM 0 HZ PHE A 77 -2.910 -3.458 -0.054 1.00 12.51 H new ATOM 1078 N ARG A 78 4.475 -0.398 -2.022 1.00 74.22 N ATOM 1079 CA ARG A 78 5.693 0.396 -2.143 1.00 63.13 C ATOM 1080 C ARG A 78 5.364 1.881 -2.258 1.00 3.14 C ATOM 1081 O ARG A 78 4.573 2.289 -3.109 1.00 73.11 O ATOM 1082 CB ARG A 78 6.501 -0.054 -3.362 1.00 44.21 C ATOM 1083 CG ARG A 78 7.970 -0.297 -3.063 1.00 33.00 C ATOM 1084 CD ARG A 78 8.854 0.755 -3.715 1.00 30.34 C ATOM 1085 NE ARG A 78 8.638 0.834 -5.158 1.00 2.13 N ATOM 1086 CZ ARG A 78 7.959 1.811 -5.747 1.00 51.14 C ATOM 1087 NH1 ARG A 78 7.433 2.789 -5.023 1.00 4.03 N ATOM 1088 NH2 ARG A 78 7.806 1.813 -7.065 1.00 64.32 N ATOM 0 H ARG A 78 3.796 -0.245 -2.768 1.00 74.22 H new ATOM 0 HA ARG A 78 6.289 0.242 -1.243 1.00 63.13 H new ATOM 0 HB2 ARG A 78 6.064 -0.970 -3.759 1.00 44.21 H new ATOM 0 HB3 ARG A 78 6.418 0.703 -4.142 1.00 44.21 H new ATOM 0 HG2 ARG A 78 8.129 -0.289 -1.985 1.00 33.00 H new ATOM 0 HG3 ARG A 78 8.256 -1.286 -3.420 1.00 33.00 H new ATOM 0 HD2 ARG A 78 8.653 1.727 -3.265 1.00 30.34 H new ATOM 0 HD3 ARG A 78 9.900 0.522 -3.517 1.00 30.34 H new ATOM 0 HE ARG A 78 9.031 0.098 -5.745 1.00 2.13 H new ATOM 0 HH11 ARG A 78 7.549 2.793 -4.010 1.00 4.03 H new ATOM 0 HH12 ARG A 78 6.912 3.538 -5.479 1.00 4.03 H new ATOM 0 HH21 ARG A 78 8.210 1.063 -7.626 1.00 64.32 H new ATOM 0 HH22 ARG A 78 7.284 2.564 -7.517 1.00 64.32 H new ATOM 1099 N CYS A 79 5.977 2.685 -1.396 1.00 23.33 N ATOM 1100 CA CYS A 79 5.750 4.126 -1.399 1.00 34.12 C ATOM 1101 C CYS A 79 7.062 4.882 -1.594 1.00 21.42 C ATOM 1102 O CYS A 79 8.125 4.415 -1.190 1.00 74.12 O ATOM 1103 CB CYS A 79 5.087 4.562 -0.091 1.00 44.41 C ATOM 1104 SG CYS A 79 4.569 6.307 -0.065 1.00 10.42 S ATOM 0 H CYS A 79 6.635 2.363 -0.686 1.00 23.33 H new ATOM 0 HA CYS A 79 5.087 4.363 -2.231 1.00 34.12 H new ATOM 0 HB2 CYS A 79 4.215 3.933 0.089 1.00 44.41 H new ATOM 0 HB3 CYS A 79 5.781 4.388 0.731 1.00 44.41 H new ATOM 1108 N GLN A 80 6.974 6.054 -2.216 1.00 50.44 N ATOM 1109 CA GLN A 80 8.152 6.875 -2.466 1.00 15.23 C ATOM 1110 C GLN A 80 7.834 8.355 -2.285 1.00 24.13 C ATOM 1111 O GLN A 80 6.815 8.844 -2.772 1.00 73.13 O ATOM 1112 CB GLN A 80 8.685 6.624 -3.877 1.00 35.42 C ATOM 1113 CG GLN A 80 9.838 7.537 -4.264 1.00 10.42 C ATOM 1114 CD GLN A 80 10.429 7.192 -5.616 1.00 62.40 C ATOM 1115 OE1 GLN A 80 11.446 6.503 -5.706 1.00 35.45 O ATOM 1116 NE2 GLN A 80 9.791 7.669 -6.679 1.00 42.12 N ATOM 0 H GLN A 80 6.100 6.455 -2.555 1.00 50.44 H new ATOM 0 HA GLN A 80 8.917 6.596 -1.742 1.00 15.23 H new ATOM 0 HB2 GLN A 80 9.012 5.587 -3.954 1.00 35.42 H new ATOM 0 HB3 GLN A 80 7.873 6.756 -4.592 1.00 35.42 H new ATOM 0 HG2 GLN A 80 9.490 8.570 -4.277 1.00 10.42 H new ATOM 0 HG3 GLN A 80 10.617 7.473 -3.504 1.00 10.42 H new ATOM 0 HE21 GLN A 80 8.952 8.236 -6.558 1.00 42.12 H new ATOM 0 HE22 GLN A 80 10.140 7.468 -7.616 1.00 42.12 H new ATOM 1123 N ALA A 81 8.710 9.063 -1.580 1.00 74.33 N ATOM 1124 CA ALA A 81 8.522 10.488 -1.337 1.00 33.22 C ATOM 1125 C ALA A 81 9.799 11.269 -1.632 1.00 4.11 C ATOM 1126 O ALA A 81 10.883 10.693 -1.721 1.00 10.15 O ATOM 1127 CB ALA A 81 8.076 10.724 0.098 1.00 24.14 C ATOM 0 H ALA A 81 9.557 8.673 -1.167 1.00 74.33 H new ATOM 0 HA ALA A 81 7.744 10.847 -2.011 1.00 33.22 H new ATOM 0 HB1 ALA A 81 7.939 11.792 0.266 1.00 24.14 H new ATOM 0 HB2 ALA A 81 7.134 10.205 0.276 1.00 24.14 H new ATOM 0 HB3 ALA A 81 8.835 10.344 0.782 1.00 24.14 H new ATOM 1133 N MET A 82 9.663 12.582 -1.781 1.00 11.14 N ATOM 1134 CA MET A 82 10.806 13.441 -2.065 1.00 21.35 C ATOM 1135 C MET A 82 10.835 14.638 -1.120 1.00 62.30 C ATOM 1136 O MET A 82 9.863 15.385 -1.021 1.00 23.14 O ATOM 1137 CB MET A 82 10.761 13.924 -3.517 1.00 1.45 C ATOM 1138 CG MET A 82 11.786 15.001 -3.831 1.00 23.22 C ATOM 1139 SD MET A 82 12.343 14.951 -5.545 1.00 4.30 S ATOM 1140 CE MET A 82 13.110 13.332 -5.605 1.00 32.43 C ATOM 0 H MET A 82 8.773 13.074 -1.710 1.00 11.14 H new ATOM 0 HA MET A 82 11.714 12.857 -1.912 1.00 21.35 H new ATOM 0 HB2 MET A 82 10.925 13.074 -4.179 1.00 1.45 H new ATOM 0 HB3 MET A 82 9.764 14.309 -3.733 1.00 1.45 H new ATOM 0 HG2 MET A 82 11.355 15.980 -3.622 1.00 23.22 H new ATOM 0 HG3 MET A 82 12.645 14.883 -3.170 1.00 23.22 H new ATOM 0 HE1 MET A 82 13.933 13.345 -6.320 1.00 32.43 H new ATOM 0 HE2 MET A 82 13.492 13.074 -4.617 1.00 32.43 H new ATOM 0 HE3 MET A 82 12.373 12.591 -5.914 1.00 32.43 H new ATOM 1148 N ASN A 83 11.956 14.813 -0.428 1.00 74.40 N ATOM 1149 CA ASN A 83 12.110 15.920 0.509 1.00 11.15 C ATOM 1150 C ASN A 83 12.615 17.171 -0.203 1.00 62.34 C ATOM 1151 O ASN A 83 12.972 17.126 -1.381 1.00 10.44 O ATOM 1152 CB ASN A 83 13.075 15.534 1.632 1.00 51.14 C ATOM 1153 CG ASN A 83 12.389 14.772 2.749 1.00 14.33 C ATOM 1154 OD1 ASN A 83 12.200 15.296 3.847 1.00 62.52 O ATOM 1155 ND2 ASN A 83 12.014 13.528 2.474 1.00 74.12 N ATOM 0 H ASN A 83 12.771 14.203 -0.498 1.00 74.40 H new ATOM 0 HA ASN A 83 11.132 16.138 0.938 1.00 11.15 H new ATOM 0 HB2 ASN A 83 13.880 14.925 1.222 1.00 51.14 H new ATOM 0 HB3 ASN A 83 13.533 16.435 2.039 1.00 51.14 H new ATOM 0 HD21 ASN A 83 11.549 12.966 3.187 1.00 74.12 H new ATOM 0 HD22 ASN A 83 12.191 13.134 1.550 1.00 74.12 H new ATOM 1161 N ARG A 84 12.642 18.287 0.519 1.00 5.41 N ATOM 1162 CA ARG A 84 13.103 19.550 -0.044 1.00 54.21 C ATOM 1163 C ARG A 84 14.612 19.527 -0.269 1.00 40.33 C ATOM 1164 O ARG A 84 15.149 20.333 -1.029 1.00 2.11 O ATOM 1165 CB ARG A 84 12.732 20.710 0.882 1.00 44.23 C ATOM 1166 CG ARG A 84 13.512 20.723 2.185 1.00 25.22 C ATOM 1167 CD ARG A 84 13.017 21.816 3.120 1.00 15.21 C ATOM 1168 NE ARG A 84 11.639 21.590 3.545 1.00 2.55 N ATOM 1169 CZ ARG A 84 11.295 20.736 4.502 1.00 3.44 C ATOM 1170 NH1 ARG A 84 12.225 20.031 5.131 1.00 51.45 N ATOM 1171 NH2 ARG A 84 10.019 20.585 4.832 1.00 4.04 N ATOM 0 H ARG A 84 12.350 18.342 1.495 1.00 5.41 H new ATOM 0 HA ARG A 84 12.612 19.691 -1.007 1.00 54.21 H new ATOM 0 HB2 ARG A 84 12.901 21.651 0.358 1.00 44.23 H new ATOM 0 HB3 ARG A 84 11.667 20.658 1.107 1.00 44.23 H new ATOM 0 HG2 ARG A 84 13.420 19.754 2.675 1.00 25.22 H new ATOM 0 HG3 ARG A 84 14.571 20.874 1.975 1.00 25.22 H new ATOM 0 HD2 ARG A 84 13.663 21.863 3.996 1.00 15.21 H new ATOM 0 HD3 ARG A 84 13.088 22.781 2.619 1.00 15.21 H new ATOM 0 HE ARG A 84 10.899 22.117 3.081 1.00 2.55 H new ATOM 0 HH11 ARG A 84 13.207 20.144 4.880 1.00 51.45 H new ATOM 0 HH12 ARG A 84 11.958 19.376 5.866 1.00 51.45 H new ATOM 0 HH21 ARG A 84 9.300 21.125 4.350 1.00 4.04 H new ATOM 0 HH22 ARG A 84 9.757 19.929 5.567 1.00 4.04 H new ATOM 1182 N ASN A 85 15.290 18.599 0.398 1.00 75.31 N ATOM 1183 CA ASN A 85 16.738 18.472 0.272 1.00 14.10 C ATOM 1184 C ASN A 85 17.115 17.870 -1.079 1.00 13.43 C ATOM 1185 O ASN A 85 18.250 18.006 -1.536 1.00 23.34 O ATOM 1186 CB ASN A 85 17.296 17.606 1.404 1.00 64.22 C ATOM 1187 CG ASN A 85 17.576 18.407 2.660 1.00 45.31 C ATOM 1188 OD1 ASN A 85 16.730 18.502 3.550 1.00 15.32 O ATOM 1189 ND2 ASN A 85 18.767 18.988 2.738 1.00 70.53 N ATOM 0 H ASN A 85 14.861 17.924 1.031 1.00 75.31 H new ATOM 0 HA ASN A 85 17.173 19.469 0.340 1.00 14.10 H new ATOM 0 HB2 ASN A 85 16.586 16.812 1.634 1.00 64.22 H new ATOM 0 HB3 ASN A 85 18.216 17.125 1.070 1.00 64.22 H new ATOM 0 HD21 ASN A 85 19.012 19.540 3.560 1.00 70.53 H new ATOM 0 HD22 ASN A 85 19.437 18.882 1.976 1.00 70.53 H new ATOM 1195 N GLY A 86 16.155 17.202 -1.712 1.00 21.31 N ATOM 1196 CA GLY A 86 16.407 16.590 -3.002 1.00 54.14 C ATOM 1197 C GLY A 86 16.477 15.077 -2.923 1.00 14.12 C ATOM 1198 O GLY A 86 16.438 14.391 -3.944 1.00 33.23 O ATOM 0 H GLY A 86 15.208 17.074 -1.354 1.00 21.31 H new ATOM 0 HA2 GLY A 86 15.619 16.878 -3.698 1.00 54.14 H new ATOM 0 HA3 GLY A 86 17.344 16.973 -3.406 1.00 54.14 H new ATOM 1202 N LYS A 87 16.586 14.556 -1.706 1.00 65.12 N ATOM 1203 CA LYS A 87 16.663 13.115 -1.495 1.00 45.54 C ATOM 1204 C LYS A 87 15.270 12.497 -1.436 1.00 21.42 C ATOM 1205 O LYS A 87 14.325 13.122 -0.955 1.00 13.24 O ATOM 1206 CB LYS A 87 17.424 12.807 -0.202 1.00 72.54 C ATOM 1207 CG LYS A 87 18.860 13.300 -0.212 1.00 11.34 C ATOM 1208 CD LYS A 87 19.805 12.256 -0.783 1.00 23.41 C ATOM 1209 CE LYS A 87 19.963 12.414 -2.287 1.00 44.55 C ATOM 1210 NZ LYS A 87 21.306 11.967 -2.753 1.00 30.43 N ATOM 0 H LYS A 87 16.623 15.110 -0.850 1.00 65.12 H new ATOM 0 HA LYS A 87 17.199 12.679 -2.338 1.00 45.54 H new ATOM 0 HB2 LYS A 87 16.898 13.262 0.637 1.00 72.54 H new ATOM 0 HB3 LYS A 87 17.419 11.730 -0.035 1.00 72.54 H new ATOM 0 HG2 LYS A 87 18.927 14.214 -0.802 1.00 11.34 H new ATOM 0 HG3 LYS A 87 19.166 13.552 0.803 1.00 11.34 H new ATOM 0 HD2 LYS A 87 20.779 12.343 -0.302 1.00 23.41 H new ATOM 0 HD3 LYS A 87 19.427 11.259 -0.558 1.00 23.41 H new ATOM 0 HE2 LYS A 87 19.191 11.837 -2.796 1.00 44.55 H new ATOM 0 HE3 LYS A 87 19.813 13.458 -2.560 1.00 44.55 H new ATOM 0 HZ1 LYS A 87 21.375 12.090 -3.783 1.00 30.43 H new ATOM 0 HZ2 LYS A 87 22.042 12.535 -2.286 1.00 30.43 H new ATOM 0 HZ3 LYS A 87 21.440 10.964 -2.515 1.00 30.43 H new ATOM 1220 N GLU A 88 15.151 11.268 -1.927 1.00 21.43 N ATOM 1221 CA GLU A 88 13.872 10.568 -1.930 1.00 45.32 C ATOM 1222 C GLU A 88 13.843 9.484 -0.855 1.00 24.44 C ATOM 1223 O GLU A 88 14.857 8.846 -0.573 1.00 14.13 O ATOM 1224 CB GLU A 88 13.607 9.947 -3.302 1.00 53.43 C ATOM 1225 CG GLU A 88 14.240 8.577 -3.483 1.00 23.24 C ATOM 1226 CD GLU A 88 15.743 8.598 -3.284 1.00 21.34 C ATOM 1227 OE1 GLU A 88 16.386 9.571 -3.732 1.00 54.24 O ATOM 1228 OE2 GLU A 88 16.276 7.644 -2.681 1.00 1.44 O ATOM 0 H GLU A 88 15.924 10.737 -2.328 1.00 21.43 H new ATOM 0 HA GLU A 88 13.089 11.295 -1.712 1.00 45.32 H new ATOM 0 HB2 GLU A 88 12.531 9.863 -3.452 1.00 53.43 H new ATOM 0 HB3 GLU A 88 13.985 10.617 -4.074 1.00 53.43 H new ATOM 0 HG2 GLU A 88 13.793 7.878 -2.776 1.00 23.24 H new ATOM 0 HG3 GLU A 88 14.015 8.206 -4.483 1.00 23.24 H new ATOM 1233 N THR A 89 12.672 9.283 -0.256 1.00 52.14 N ATOM 1234 CA THR A 89 12.511 8.279 0.788 1.00 72.25 C ATOM 1235 C THR A 89 11.835 7.025 0.245 1.00 40.14 C ATOM 1236 O THR A 89 10.821 7.104 -0.448 1.00 71.20 O ATOM 1237 CB THR A 89 11.683 8.824 1.967 1.00 51.31 C ATOM 1238 OG1 THR A 89 12.000 10.204 2.190 1.00 64.21 O ATOM 1239 CG2 THR A 89 11.957 8.026 3.233 1.00 60.22 C ATOM 0 H THR A 89 11.822 9.802 -0.477 1.00 52.14 H new ATOM 0 HA THR A 89 13.511 8.026 1.141 1.00 72.25 H new ATOM 0 HB THR A 89 10.626 8.729 1.717 1.00 51.31 H new ATOM 0 HG1 THR A 89 11.222 10.758 1.972 1.00 64.21 H new ATOM 0 HG21 THR A 89 11.362 8.428 4.053 1.00 60.22 H new ATOM 0 HG22 THR A 89 11.691 6.982 3.070 1.00 60.22 H new ATOM 0 HG23 THR A 89 13.015 8.095 3.485 1.00 60.22 H new ATOM 1247 N LYS A 90 12.403 5.868 0.566 1.00 43.03 N ATOM 1248 CA LYS A 90 11.854 4.595 0.112 1.00 51.34 C ATOM 1249 C LYS A 90 11.016 3.943 1.206 1.00 10.25 C ATOM 1250 O LYS A 90 11.344 4.030 2.390 1.00 72.14 O ATOM 1251 CB LYS A 90 12.983 3.651 -0.310 1.00 73.01 C ATOM 1252 CG LYS A 90 14.235 4.371 -0.779 1.00 55.24 C ATOM 1253 CD LYS A 90 13.972 5.189 -2.032 1.00 71.55 C ATOM 1254 CE LYS A 90 14.071 4.334 -3.287 1.00 64.32 C ATOM 1255 NZ LYS A 90 13.862 5.136 -4.524 1.00 23.24 N ATOM 0 H LYS A 90 13.243 5.785 1.139 1.00 43.03 H new ATOM 0 HA LYS A 90 11.211 4.791 -0.746 1.00 51.34 H new ATOM 0 HB2 LYS A 90 13.239 3.006 0.530 1.00 73.01 H new ATOM 0 HB3 LYS A 90 12.624 3.005 -1.111 1.00 73.01 H new ATOM 0 HG2 LYS A 90 14.598 5.025 0.014 1.00 55.24 H new ATOM 0 HG3 LYS A 90 15.022 3.643 -0.977 1.00 55.24 H new ATOM 0 HD2 LYS A 90 12.980 5.638 -1.973 1.00 71.55 H new ATOM 0 HD3 LYS A 90 14.689 6.008 -2.091 1.00 71.55 H new ATOM 0 HE2 LYS A 90 15.050 3.857 -3.325 1.00 64.32 H new ATOM 0 HE3 LYS A 90 13.330 3.536 -3.242 1.00 64.32 H new ATOM 0 HZ1 LYS A 90 14.103 4.560 -5.356 1.00 23.24 H new ATOM 0 HZ2 LYS A 90 12.866 5.430 -4.583 1.00 23.24 H new ATOM 0 HZ3 LYS A 90 14.471 5.979 -4.498 1.00 23.24 H new ATOM 1265 N SER A 91 9.931 3.288 0.803 1.00 1.42 N ATOM 1266 CA SER A 91 9.044 2.623 1.751 1.00 11.21 C ATOM 1267 C SER A 91 8.478 1.337 1.156 1.00 53.04 C ATOM 1268 O SER A 91 7.821 1.358 0.116 1.00 73.30 O ATOM 1269 CB SER A 91 7.902 3.558 2.154 1.00 41.11 C ATOM 1270 OG SER A 91 8.271 4.370 3.255 1.00 23.41 O ATOM 0 H SER A 91 9.645 3.204 -0.173 1.00 1.42 H new ATOM 0 HA SER A 91 9.625 2.367 2.637 1.00 11.21 H new ATOM 0 HB2 SER A 91 7.629 4.189 1.308 1.00 41.11 H new ATOM 0 HB3 SER A 91 7.021 2.971 2.411 1.00 41.11 H new ATOM 0 HG SER A 91 8.375 5.298 2.957 1.00 23.41 H new ATOM 1275 N ASN A 92 8.739 0.218 1.823 1.00 11.43 N ATOM 1276 CA ASN A 92 8.258 -1.078 1.360 1.00 4.13 C ATOM 1277 C ASN A 92 7.543 -1.825 2.482 1.00 4.12 C ATOM 1278 O ASN A 92 8.132 -2.112 3.523 1.00 10.54 O ATOM 1279 CB ASN A 92 9.422 -1.920 0.833 1.00 72.02 C ATOM 1280 CG ASN A 92 9.129 -3.406 0.881 1.00 62.23 C ATOM 1281 OD1 ASN A 92 9.960 -4.201 1.320 1.00 14.20 O ATOM 1282 ND2 ASN A 92 7.943 -3.790 0.427 1.00 62.51 N ATOM 0 H ASN A 92 9.281 0.183 2.686 1.00 11.43 H new ATOM 0 HA ASN A 92 7.548 -0.906 0.551 1.00 4.13 H new ATOM 0 HB2 ASN A 92 9.641 -1.629 -0.194 1.00 72.02 H new ATOM 0 HB3 ASN A 92 10.315 -1.709 1.422 1.00 72.02 H new ATOM 0 HD21 ASN A 92 7.690 -4.778 0.433 1.00 62.51 H new ATOM 0 HD22 ASN A 92 7.284 -3.097 0.072 1.00 62.51 H new ATOM 1288 N TYR A 93 6.271 -2.138 2.261 1.00 34.05 N ATOM 1289 CA TYR A 93 5.475 -2.848 3.254 1.00 73.23 C ATOM 1290 C TYR A 93 4.772 -4.050 2.629 1.00 43.13 C ATOM 1291 O TYR A 93 3.974 -3.905 1.704 1.00 71.01 O ATOM 1292 CB TYR A 93 4.443 -1.909 3.878 1.00 2.35 C ATOM 1293 CG TYR A 93 5.026 -0.971 4.913 1.00 64.33 C ATOM 1294 CD1 TYR A 93 5.971 -0.017 4.559 1.00 11.43 C ATOM 1295 CD2 TYR A 93 4.629 -1.040 6.243 1.00 21.23 C ATOM 1296 CE1 TYR A 93 6.506 0.841 5.500 1.00 61.10 C ATOM 1297 CE2 TYR A 93 5.158 -0.185 7.191 1.00 61.33 C ATOM 1298 CZ TYR A 93 6.096 0.753 6.815 1.00 75.25 C ATOM 1299 OH TYR A 93 6.625 1.607 7.755 1.00 55.25 O ATOM 0 H TYR A 93 5.769 -1.911 1.402 1.00 34.05 H new ATOM 0 HA TYR A 93 6.148 -3.206 4.033 1.00 73.23 H new ATOM 0 HB2 TYR A 93 3.975 -1.320 3.089 1.00 2.35 H new ATOM 0 HB3 TYR A 93 3.656 -2.504 4.341 1.00 2.35 H new ATOM 0 HD1 TYR A 93 6.293 0.055 3.531 1.00 11.43 H new ATOM 0 HD2 TYR A 93 3.895 -1.774 6.541 1.00 21.23 H new ATOM 0 HE1 TYR A 93 7.241 1.577 5.208 1.00 61.10 H new ATOM 0 HE2 TYR A 93 4.839 -0.251 8.221 1.00 61.33 H new ATOM 0 HH TYR A 93 6.230 1.414 8.631 1.00 55.25 H new ATOM 1308 N ARG A 94 5.077 -5.238 3.141 1.00 44.20 N ATOM 1309 CA ARG A 94 4.476 -6.465 2.634 1.00 40.25 C ATOM 1310 C ARG A 94 3.148 -6.748 3.331 1.00 61.34 C ATOM 1311 O ARG A 94 3.037 -6.630 4.550 1.00 21.13 O ATOM 1312 CB ARG A 94 5.430 -7.646 2.833 1.00 32.53 C ATOM 1313 CG ARG A 94 6.729 -7.516 2.056 1.00 35.21 C ATOM 1314 CD ARG A 94 7.940 -7.660 2.966 1.00 40.22 C ATOM 1315 NE ARG A 94 7.844 -8.839 3.822 1.00 10.21 N ATOM 1316 CZ ARG A 94 8.053 -10.078 3.391 1.00 1.31 C ATOM 1317 NH1 ARG A 94 8.368 -10.299 2.123 1.00 5.12 N ATOM 1318 NH2 ARG A 94 7.947 -11.100 4.231 1.00 5.42 N ATOM 0 H ARG A 94 5.737 -5.376 3.906 1.00 44.20 H new ATOM 0 HA ARG A 94 4.287 -6.334 1.568 1.00 40.25 H new ATOM 0 HB2 ARG A 94 5.659 -7.742 3.894 1.00 32.53 H new ATOM 0 HB3 ARG A 94 4.926 -8.564 2.531 1.00 32.53 H new ATOM 0 HG2 ARG A 94 6.766 -8.277 1.277 1.00 35.21 H new ATOM 0 HG3 ARG A 94 6.760 -6.547 1.557 1.00 35.21 H new ATOM 0 HD2 ARG A 94 8.843 -7.725 2.360 1.00 40.22 H new ATOM 0 HD3 ARG A 94 8.036 -6.769 3.586 1.00 40.22 H new ATOM 0 HE ARG A 94 7.603 -8.704 4.804 1.00 10.21 H new ATOM 0 HH11 ARG A 94 8.451 -9.516 1.474 1.00 5.12 H new ATOM 0 HH12 ARG A 94 8.528 -11.252 1.796 1.00 5.12 H new ATOM 0 HH21 ARG A 94 7.705 -10.934 5.208 1.00 5.42 H new ATOM 0 HH22 ARG A 94 8.108 -12.051 3.900 1.00 5.42 H new ATOM 1329 N VAL A 95 2.142 -7.123 2.545 1.00 75.33 N ATOM 1330 CA VAL A 95 0.822 -7.423 3.085 1.00 13.44 C ATOM 1331 C VAL A 95 0.407 -8.853 2.757 1.00 71.42 C ATOM 1332 O VAL A 95 0.592 -9.322 1.635 1.00 71.13 O ATOM 1333 CB VAL A 95 -0.242 -6.452 2.538 1.00 42.11 C ATOM 1334 CG1 VAL A 95 -1.640 -6.937 2.894 1.00 55.52 C ATOM 1335 CG2 VAL A 95 -0.004 -5.048 3.069 1.00 23.45 C ATOM 0 H VAL A 95 2.217 -7.226 1.533 1.00 75.33 H new ATOM 0 HA VAL A 95 0.888 -7.306 4.167 1.00 13.44 H new ATOM 0 HB VAL A 95 -0.159 -6.423 1.452 1.00 42.11 H new ATOM 0 HG11 VAL A 95 -2.379 -6.239 2.500 1.00 55.52 H new ATOM 0 HG12 VAL A 95 -1.805 -7.923 2.460 1.00 55.52 H new ATOM 0 HG13 VAL A 95 -1.739 -6.997 3.978 1.00 55.52 H new ATOM 0 HG21 VAL A 95 -0.765 -4.375 2.673 1.00 23.45 H new ATOM 0 HG22 VAL A 95 -0.059 -5.057 4.158 1.00 23.45 H new ATOM 0 HG23 VAL A 95 0.982 -4.704 2.758 1.00 23.45 H new ATOM 1345 N ARG A 96 -0.156 -9.541 3.745 1.00 23.02 N ATOM 1346 CA ARG A 96 -0.599 -10.919 3.562 1.00 75.21 C ATOM 1347 C ARG A 96 -2.023 -11.105 4.077 1.00 44.34 C ATOM 1348 O ARG A 96 -2.411 -10.519 5.088 1.00 61.25 O ATOM 1349 CB ARG A 96 0.347 -11.880 4.285 1.00 31.44 C ATOM 1350 CG ARG A 96 -0.249 -13.259 4.516 1.00 54.34 C ATOM 1351 CD ARG A 96 -0.517 -13.976 3.202 1.00 71.41 C ATOM 1352 NE ARG A 96 0.576 -14.870 2.831 1.00 13.42 N ATOM 1353 CZ ARG A 96 0.797 -16.043 3.414 1.00 22.23 C ATOM 1354 NH1 ARG A 96 0.003 -16.462 4.390 1.00 32.31 N ATOM 1355 NH2 ARG A 96 1.812 -16.800 3.022 1.00 54.01 N ATOM 0 H ARG A 96 -0.316 -9.167 4.680 1.00 23.02 H new ATOM 0 HA ARG A 96 -0.586 -11.141 2.495 1.00 75.21 H new ATOM 0 HB2 ARG A 96 1.263 -11.982 3.703 1.00 31.44 H new ATOM 0 HB3 ARG A 96 0.626 -11.448 5.246 1.00 31.44 H new ATOM 0 HG2 ARG A 96 0.432 -13.854 5.124 1.00 54.34 H new ATOM 0 HG3 ARG A 96 -1.179 -13.166 5.077 1.00 54.34 H new ATOM 0 HD2 ARG A 96 -1.441 -14.548 3.284 1.00 71.41 H new ATOM 0 HD3 ARG A 96 -0.667 -13.240 2.412 1.00 71.41 H new ATOM 0 HE ARG A 96 1.205 -14.578 2.083 1.00 13.42 H new ATOM 0 HH11 ARG A 96 -0.780 -15.883 4.695 1.00 32.31 H new ATOM 0 HH12 ARG A 96 0.175 -17.363 4.836 1.00 32.31 H new ATOM 0 HH21 ARG A 96 2.425 -16.482 2.271 1.00 54.01 H new ATOM 0 HH22 ARG A 96 1.980 -17.700 3.471 1.00 54.01 H new ATOM 1366 N VAL A 97 -2.797 -11.925 3.373 1.00 1.24 N ATOM 1367 CA VAL A 97 -4.179 -12.190 3.758 1.00 3.11 C ATOM 1368 C VAL A 97 -4.324 -13.585 4.357 1.00 22.24 C ATOM 1369 O VAL A 97 -3.339 -14.301 4.533 1.00 64.12 O ATOM 1370 CB VAL A 97 -5.132 -12.055 2.557 1.00 43.44 C ATOM 1371 CG1 VAL A 97 -4.905 -10.735 1.839 1.00 61.34 C ATOM 1372 CG2 VAL A 97 -4.953 -13.228 1.602 1.00 1.34 C ATOM 0 H VAL A 97 -2.491 -12.417 2.534 1.00 1.24 H new ATOM 0 HA VAL A 97 -4.447 -11.447 4.509 1.00 3.11 H new ATOM 0 HB VAL A 97 -6.157 -12.067 2.926 1.00 43.44 H new ATOM 0 HG11 VAL A 97 -5.588 -10.659 0.993 1.00 61.34 H new ATOM 0 HG12 VAL A 97 -5.087 -9.910 2.528 1.00 61.34 H new ATOM 0 HG13 VAL A 97 -3.877 -10.688 1.480 1.00 61.34 H new ATOM 0 HG21 VAL A 97 -5.634 -13.117 0.758 1.00 1.34 H new ATOM 0 HG22 VAL A 97 -3.925 -13.248 1.239 1.00 1.34 H new ATOM 0 HG23 VAL A 97 -5.171 -14.159 2.125 1.00 1.34 H new ATOM 1382 N TYR A 98 -5.560 -13.963 4.666 1.00 43.35 N ATOM 1383 CA TYR A 98 -5.835 -15.273 5.245 1.00 33.44 C ATOM 1384 C TYR A 98 -5.559 -16.384 4.238 1.00 73.44 C ATOM 1385 O TYR A 98 -4.501 -17.012 4.264 1.00 52.20 O ATOM 1386 CB TYR A 98 -7.287 -15.348 5.720 1.00 10.24 C ATOM 1387 CG TYR A 98 -7.707 -16.730 6.166 1.00 11.40 C ATOM 1388 CD1 TYR A 98 -7.099 -17.346 7.252 1.00 51.41 C ATOM 1389 CD2 TYR A 98 -8.713 -17.421 5.501 1.00 55.45 C ATOM 1390 CE1 TYR A 98 -7.477 -18.610 7.664 1.00 72.34 C ATOM 1391 CE2 TYR A 98 -9.101 -18.684 5.905 1.00 55.24 C ATOM 1392 CZ TYR A 98 -8.479 -19.274 6.987 1.00 54.22 C ATOM 1393 OH TYR A 98 -8.862 -20.533 7.392 1.00 33.14 O ATOM 0 H TYR A 98 -6.386 -13.382 4.525 1.00 43.35 H new ATOM 0 HA TYR A 98 -5.172 -15.411 6.099 1.00 33.44 H new ATOM 0 HB2 TYR A 98 -7.427 -14.651 6.546 1.00 10.24 H new ATOM 0 HB3 TYR A 98 -7.942 -15.021 4.912 1.00 10.24 H new ATOM 0 HD1 TYR A 98 -6.316 -16.827 7.785 1.00 51.41 H new ATOM 0 HD2 TYR A 98 -9.200 -16.962 4.653 1.00 55.45 H new ATOM 0 HE1 TYR A 98 -6.992 -19.074 8.510 1.00 72.34 H new ATOM 0 HE2 TYR A 98 -9.886 -19.206 5.378 1.00 55.24 H new ATOM 0 HH TYR A 98 -9.580 -20.859 6.810 1.00 33.14 H new ATOM 1402 N GLN A 99 -6.519 -16.620 3.349 1.00 22.51 N ATOM 1403 CA GLN A 99 -6.381 -17.656 2.333 1.00 42.13 C ATOM 1404 C GLN A 99 -5.217 -17.347 1.397 1.00 42.33 C ATOM 1405 O GLN A 99 -4.940 -16.186 1.096 1.00 31.41 O ATOM 1406 CB GLN A 99 -7.676 -17.787 1.529 1.00 52.05 C ATOM 1407 CG GLN A 99 -7.702 -19.001 0.613 1.00 62.14 C ATOM 1408 CD GLN A 99 -8.012 -20.285 1.356 1.00 52.05 C ATOM 1409 OE1 GLN A 99 -7.013 -20.826 2.043 1.00 30.14 O flip ATOM 1410 NE2 GLN A 99 -9.135 -20.787 1.310 1.00 1.44 N flip ATOM 0 H GLN A 99 -7.400 -16.108 3.312 1.00 22.51 H new ATOM 0 HA GLN A 99 -6.178 -18.601 2.838 1.00 42.13 H new ATOM 0 HB2 GLN A 99 -8.518 -17.844 2.219 1.00 52.05 H new ATOM 0 HB3 GLN A 99 -7.815 -16.887 0.930 1.00 52.05 H new ATOM 0 HG2 GLN A 99 -8.448 -18.847 -0.167 1.00 62.14 H new ATOM 0 HG3 GLN A 99 -6.737 -19.097 0.116 1.00 62.14 H new ATOM 0 HE21 GLN A 99 -9.873 -20.337 0.769 1.00 1.44 H new ATOM 0 HE22 GLN A 99 -9.327 -21.653 1.813 1.00 1.44 H new ATOM 1417 N ILE A 100 -4.537 -18.395 0.940 1.00 63.30 N ATOM 1418 CA ILE A 100 -3.403 -18.235 0.038 1.00 4.12 C ATOM 1419 C ILE A 100 -3.635 -18.981 -1.271 1.00 12.00 C ATOM 1420 O ILE A 100 -4.453 -19.896 -1.358 1.00 33.14 O ATOM 1421 CB ILE A 100 -2.099 -18.739 0.681 1.00 62.23 C ATOM 1422 CG1 ILE A 100 -2.408 -19.660 1.862 1.00 45.40 C ATOM 1423 CG2 ILE A 100 -1.240 -17.566 1.129 1.00 50.12 C ATOM 1424 CD1 ILE A 100 -1.176 -20.267 2.496 1.00 54.01 C ATOM 0 H ILE A 100 -4.752 -19.363 1.180 1.00 63.30 H new ATOM 0 HA ILE A 100 -3.308 -17.169 -0.167 1.00 4.12 H new ATOM 0 HB ILE A 100 -1.543 -19.308 -0.064 1.00 62.23 H new ATOM 0 HG12 ILE A 100 -2.955 -19.096 2.618 1.00 45.40 H new ATOM 0 HG13 ILE A 100 -3.065 -20.462 1.524 1.00 45.40 H new ATOM 0 HG21 ILE A 100 -0.322 -17.940 1.582 1.00 50.12 H new ATOM 0 HG22 ILE A 100 -0.994 -16.945 0.267 1.00 50.12 H new ATOM 0 HG23 ILE A 100 -1.789 -16.971 1.859 1.00 50.12 H new ATOM 0 HD11 ILE A 100 -1.472 -20.908 3.326 1.00 54.01 H new ATOM 0 HD12 ILE A 100 -0.639 -20.859 1.754 1.00 54.01 H new ATOM 0 HD13 ILE A 100 -0.528 -19.472 2.865 1.00 54.01 H new ATOM 1435 N PRO A 101 -2.895 -18.582 -2.316 1.00 43.22 N ATOM 1436 CA PRO A 101 -2.998 -19.200 -3.642 1.00 44.45 C ATOM 1437 C PRO A 101 -2.442 -20.619 -3.664 1.00 44.42 C ATOM 1438 O PRO A 101 -1.267 -20.841 -3.373 1.00 63.13 O ATOM 1439 CB PRO A 101 -2.156 -18.281 -4.529 1.00 61.14 C ATOM 1440 CG PRO A 101 -1.181 -17.645 -3.599 1.00 63.03 C ATOM 1441 CD PRO A 101 -1.900 -17.497 -2.286 1.00 54.42 C ATOM 0 HA PRO A 101 -4.034 -19.296 -3.968 1.00 44.45 H new ATOM 0 HB2 PRO A 101 -1.647 -18.844 -5.312 1.00 61.14 H new ATOM 0 HB3 PRO A 101 -2.775 -17.534 -5.025 1.00 61.14 H new ATOM 0 HG2 PRO A 101 -0.288 -18.261 -3.488 1.00 63.03 H new ATOM 0 HG3 PRO A 101 -0.855 -16.676 -3.977 1.00 63.03 H new ATOM 0 HD2 PRO A 101 -1.219 -17.600 -1.441 1.00 54.42 H new ATOM 0 HD3 PRO A 101 -2.374 -16.520 -2.196 1.00 54.42 H new ATOM 1446 N GLY A 102 -3.294 -21.580 -4.011 1.00 3.25 N ATOM 1447 CA GLY A 102 -2.869 -22.967 -4.065 1.00 54.30 C ATOM 1448 C GLY A 102 -2.531 -23.416 -5.473 1.00 34.51 C ATOM 1449 O GLY A 102 -1.656 -24.258 -5.671 1.00 22.11 O ATOM 0 H GLY A 102 -4.272 -21.422 -4.256 1.00 3.25 H new ATOM 0 HA2 GLY A 102 -1.997 -23.102 -3.425 1.00 54.30 H new ATOM 0 HA3 GLY A 102 -3.659 -23.602 -3.665 1.00 54.30 H new ATOM 1453 N LYS A 103 -3.226 -22.851 -6.455 1.00 42.21 N ATOM 1454 CA LYS A 103 -2.997 -23.198 -7.852 1.00 73.31 C ATOM 1455 C LYS A 103 -3.075 -24.707 -8.059 1.00 5.14 C ATOM 1456 O LYS A 103 -2.074 -25.375 -8.316 1.00 43.23 O ATOM 1457 CB LYS A 103 -1.633 -22.680 -8.311 1.00 20.43 C ATOM 1458 CG LYS A 103 -1.604 -21.183 -8.563 1.00 62.33 C ATOM 1459 CD LYS A 103 -0.209 -20.706 -8.935 1.00 64.54 C ATOM 1460 CE LYS A 103 0.047 -20.847 -10.429 1.00 30.31 C ATOM 1461 NZ LYS A 103 1.042 -19.852 -10.915 1.00 71.44 N ATOM 0 H LYS A 103 -3.953 -22.150 -6.308 1.00 42.21 H new ATOM 0 HA LYS A 103 -3.778 -22.727 -8.449 1.00 73.31 H new ATOM 0 HB2 LYS A 103 -0.887 -22.927 -7.556 1.00 20.43 H new ATOM 0 HB3 LYS A 103 -1.345 -23.199 -9.225 1.00 20.43 H new ATOM 0 HG2 LYS A 103 -2.300 -20.935 -9.364 1.00 62.33 H new ATOM 0 HG3 LYS A 103 -1.944 -20.656 -7.671 1.00 62.33 H new ATOM 0 HD2 LYS A 103 -0.089 -19.663 -8.641 1.00 64.54 H new ATOM 0 HD3 LYS A 103 0.533 -21.281 -8.381 1.00 64.54 H new ATOM 0 HE2 LYS A 103 0.405 -21.854 -10.643 1.00 30.31 H new ATOM 0 HE3 LYS A 103 -0.890 -20.720 -10.972 1.00 30.31 H new ATOM 0 HZ1 LYS A 103 1.190 -19.979 -11.937 1.00 71.44 H new ATOM 0 HZ2 LYS A 103 0.689 -18.891 -10.734 1.00 71.44 H new ATOM 0 HZ3 LYS A 103 1.943 -19.990 -10.415 1.00 71.44 H new ATOM 1471 N PRO A 104 -4.293 -25.259 -7.944 1.00 24.23 N ATOM 1472 CA PRO A 104 -4.530 -26.695 -8.117 1.00 43.32 C ATOM 1473 C PRO A 104 -4.356 -27.142 -9.564 1.00 13.21 C ATOM 1474 O PRO A 104 -4.206 -26.316 -10.464 1.00 20.11 O ATOM 1475 CB PRO A 104 -5.985 -26.870 -7.674 1.00 62.42 C ATOM 1476 CG PRO A 104 -6.612 -25.537 -7.897 1.00 73.34 C ATOM 1477 CD PRO A 104 -5.531 -24.524 -7.639 1.00 15.40 C ATOM 0 HA PRO A 104 -3.821 -27.296 -7.548 1.00 43.32 H new ATOM 0 HB2 PRO A 104 -6.485 -27.645 -8.255 1.00 62.42 H new ATOM 0 HB3 PRO A 104 -6.047 -27.166 -6.627 1.00 62.42 H new ATOM 0 HG2 PRO A 104 -6.994 -25.450 -8.914 1.00 73.34 H new ATOM 0 HG3 PRO A 104 -7.457 -25.386 -7.226 1.00 73.34 H new ATOM 0 HD2 PRO A 104 -5.644 -23.646 -8.275 1.00 15.40 H new ATOM 0 HD3 PRO A 104 -5.546 -24.174 -6.607 1.00 15.40 H new ATOM 1482 N GLU A 105 -4.377 -28.453 -9.781 1.00 52.31 N ATOM 1483 CA GLU A 105 -4.221 -29.008 -11.120 1.00 62.23 C ATOM 1484 C GLU A 105 -5.206 -30.150 -11.355 1.00 2.34 C ATOM 1485 O GLU A 105 -5.560 -30.879 -10.429 1.00 14.45 O ATOM 1486 CB GLU A 105 -2.789 -29.506 -11.327 1.00 35.22 C ATOM 1487 CG GLU A 105 -1.729 -28.524 -10.854 1.00 42.13 C ATOM 1488 CD GLU A 105 -0.352 -28.847 -11.398 1.00 11.21 C ATOM 1489 OE1 GLU A 105 -0.100 -28.555 -12.587 1.00 10.54 O ATOM 1490 OE2 GLU A 105 0.476 -29.391 -10.636 1.00 64.20 O ATOM 0 H GLU A 105 -4.500 -29.150 -9.047 1.00 52.31 H new ATOM 0 HA GLU A 105 -4.431 -28.216 -11.839 1.00 62.23 H new ATOM 0 HB2 GLU A 105 -2.661 -30.449 -10.796 1.00 35.22 H new ATOM 0 HB3 GLU A 105 -2.634 -29.712 -12.386 1.00 35.22 H new ATOM 0 HG2 GLU A 105 -2.010 -27.516 -11.161 1.00 42.13 H new ATOM 0 HG3 GLU A 105 -1.695 -28.528 -9.765 1.00 42.13 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 7.514 -12.115 -9.101 1.00 50.33 N ATOM 1497 CA ASP B 1 8.211 -11.979 -7.828 1.00 35.42 C ATOM 1498 C ASP B 1 7.574 -10.886 -6.975 1.00 32.33 C ATOM 1499 O ASP B 1 6.666 -10.185 -7.423 1.00 45.25 O ATOM 1500 CB ASP B 1 9.690 -11.663 -8.062 1.00 30.24 C ATOM 1501 CG ASP B 1 9.894 -10.336 -8.766 1.00 30.23 C ATOM 1502 OD1 ASP B 1 9.656 -10.270 -9.989 1.00 63.40 O ATOM 1503 OD2 ASP B 1 10.293 -9.362 -8.091 1.00 71.01 O ATOM 0 H1 ASP B 1 7.298 -13.118 -9.273 1.00 50.33 H new ATOM 0 H2 ASP B 1 6.629 -11.570 -9.072 1.00 50.33 H new ATOM 0 H3 ASP B 1 8.117 -11.754 -9.867 1.00 50.33 H new ATOM 0 HA ASP B 1 8.130 -12.926 -7.295 1.00 35.42 H new ATOM 0 HB2 ASP B 1 10.211 -11.647 -7.105 1.00 30.24 H new ATOM 0 HB3 ASP B 1 10.139 -12.459 -8.656 1.00 30.24 H new ATOM 1507 N GLU B 2 8.056 -10.747 -5.743 1.00 64.41 N ATOM 1508 CA GLU B 2 7.532 -9.740 -4.828 1.00 70.32 C ATOM 1509 C GLU B 2 8.325 -8.441 -4.935 1.00 20.11 C ATOM 1510 O GLU B 2 9.406 -8.406 -5.526 1.00 24.11 O ATOM 1511 CB GLU B 2 7.573 -10.258 -3.389 1.00 21.20 C ATOM 1512 CG GLU B 2 8.851 -9.902 -2.650 1.00 51.44 C ATOM 1513 CD GLU B 2 10.092 -10.434 -3.342 1.00 30.23 C ATOM 1514 OE1 GLU B 2 10.232 -11.671 -3.443 1.00 73.41 O ATOM 1515 OE2 GLU B 2 10.922 -9.611 -3.783 1.00 71.33 O ATOM 0 H GLU B 2 8.807 -11.318 -5.357 1.00 64.41 H new ATOM 0 HA GLU B 2 6.498 -9.537 -5.105 1.00 70.32 H new ATOM 0 HB2 GLU B 2 6.722 -9.853 -2.842 1.00 21.20 H new ATOM 0 HB3 GLU B 2 7.459 -11.342 -3.399 1.00 21.20 H new ATOM 0 HG2 GLU B 2 8.925 -8.818 -2.561 1.00 51.44 H new ATOM 0 HG3 GLU B 2 8.804 -10.302 -1.637 1.00 51.44 H new ATOM 1520 N PHE B 3 7.781 -7.373 -4.361 1.00 60.14 N ATOM 1521 CA PHE B 3 8.435 -6.071 -4.392 1.00 74.33 C ATOM 1522 C PHE B 3 9.750 -6.103 -3.618 1.00 71.21 C ATOM 1523 O PHE B 3 10.242 -7.155 -3.399 1.00 2.33 O ATOM 1524 CB PHE B 3 7.513 -4.998 -3.809 1.00 42.12 C ATOM 1525 CG PHE B 3 7.122 -3.940 -4.802 1.00 25.03 C ATOM 1526 CD1 PHE B 3 8.079 -3.116 -5.370 1.00 1.10 C ATOM 1527 CD2 PHE B 3 5.796 -3.769 -5.165 1.00 5.34 C ATOM 1528 CE1 PHE B 3 7.722 -2.142 -6.283 1.00 73.14 C ATOM 1529 CE2 PHE B 3 5.433 -2.798 -6.078 1.00 71.32 C ATOM 1530 CZ PHE B 3 6.397 -1.982 -6.637 1.00 21.13 C ATOM 0 H PHE B 3 6.888 -7.384 -3.868 1.00 60.14 H new ATOM 0 HA PHE B 3 8.652 -5.827 -5.432 1.00 74.33 H new ATOM 0 HB2 PHE B 3 6.612 -5.475 -3.424 1.00 42.12 H new ATOM 0 HB3 PHE B 3 8.010 -4.525 -2.962 1.00 42.12 H new ATOM 0 HD1 PHE B 3 9.117 -3.236 -5.096 1.00 1.10 H new ATOM 0 HD2 PHE B 3 5.037 -4.402 -4.729 1.00 5.34 H new ATOM 0 HE1 PHE B 3 8.479 -1.507 -6.719 1.00 73.14 H new ATOM 0 HE2 PHE B 3 4.396 -2.677 -6.355 1.00 71.32 H new ATOM 0 HZ PHE B 3 6.115 -1.221 -7.349 1.00 21.13 H new HETATM 1539 N MCL B 4 10.212 -4.995 -3.270 1.00 65.13 N HETATM 1540 CA MCL B 4 11.461 -4.859 -2.529 1.00 34.45 C HETATM 1541 CB MCL B 4 11.531 -3.466 -1.866 1.00 63.24 C HETATM 1542 CG MCL B 4 12.931 -3.250 -1.255 1.00 71.10 C HETATM 1543 CD MCL B 4 13.178 -1.742 -1.041 1.00 34.11 C HETATM 1544 CE MCL B 4 13.314 -1.042 -2.410 1.00 0.52 C HETATM 1545 NZ MCL B 4 12.671 0.279 -2.356 1.00 62.14 N HETATM 1546 CX1 MCL B 4 12.438 0.785 -3.772 1.00 31.13 C HETATM 1547 C1 MCL B 4 13.774 0.808 -4.535 1.00 71.44 C HETATM 1548 CX2 MCL B 4 11.853 2.208 -3.715 1.00 23.43 C HETATM 1549 O1 MCL B 4 11.175 2.522 -5.016 1.00 3.13 O HETATM 1550 O2 MCL B 4 10.856 2.296 -2.597 1.00 43.02 O HETATM 1551 C MCL B 4 11.482 -5.912 -1.478 1.00 52.15 C HETATM 1552 O MCL B 4 12.509 -6.545 -1.234 1.00 3.24 O HETATM 0 HZ MCL B 4 12.420 0.778 -1.503 1.00 62.14 H new HETATM 0 HX1 MCL B 4 11.740 0.124 -4.286 1.00 31.13 H new HETATM 0 HO1 MCL B 4 10.801 3.427 -4.980 1.00 3.13 H new HETATM 0 HG3 MCL B 4 13.010 -3.780 -0.306 1.00 71.10 H new HETATM 0 HG2 MCL B 4 13.694 -3.663 -1.915 1.00 71.10 H new HETATM 0 HE3 MCL B 4 14.367 -0.935 -2.672 1.00 0.52 H new HETATM 0 HE2 MCL B 4 12.853 -1.650 -3.188 1.00 0.52 H new HETATM 0 HD3 MCL B 4 12.354 -1.304 -0.477 1.00 34.11 H new HETATM 0 HD2 MCL B 4 14.083 -1.591 -0.452 1.00 34.11 H new HETATM 0 HB3 MCL B 4 11.322 -2.691 -2.603 1.00 63.24 H new HETATM 0 HB2 MCL B 4 10.769 -3.383 -1.091 1.00 63.24 H new HETATM 0 HA MCL B 4 12.313 -4.967 -3.200 1.00 34.45 H new HETATM 0 H13 MCL B 4 14.474 1.469 -4.024 1.00 71.44 H new HETATM 0 H12 MCL B 4 14.189 -0.199 -4.573 1.00 71.44 H new HETATM 0 H11 MCL B 4 13.607 1.170 -5.549 1.00 71.44 H new HETATM 0 H MCL B 4 9.544 -4.225 -3.288 1.00 65.13 H new ATOM 1568 N ALA B 5 10.337 -6.114 -0.837 1.00 22.02 N ATOM 1569 CA ALA B 5 10.215 -7.117 0.214 1.00 3.42 C ATOM 1570 C ALA B 5 10.932 -8.406 -0.172 1.00 35.10 C ATOM 1571 O ALA B 5 11.112 -8.697 -1.354 1.00 50.45 O ATOM 1572 CB ALA B 5 8.750 -7.395 0.513 1.00 73.32 C ATOM 0 H ALA B 5 9.479 -5.596 -1.027 1.00 22.02 H new ATOM 0 HA ALA B 5 10.689 -6.723 1.113 1.00 3.42 H new ATOM 0 HB1 ALA B 5 8.675 -8.146 1.300 1.00 73.32 H new ATOM 0 HB2 ALA B 5 8.265 -6.476 0.841 1.00 73.32 H new ATOM 0 HB3 ALA B 5 8.258 -7.763 -0.388 1.00 73.32 H new ATOM 1578 N ASP B 6 11.340 -9.175 0.833 1.00 35.31 N ATOM 1579 CA ASP B 6 12.037 -10.434 0.598 1.00 55.32 C ATOM 1580 C ASP B 6 11.626 -11.482 1.626 1.00 63.41 C ATOM 1581 O ASP B 6 10.605 -11.338 2.298 1.00 11.40 O ATOM 1582 CB ASP B 6 13.551 -10.220 0.648 1.00 75.34 C ATOM 1583 CG ASP B 6 14.070 -10.080 2.066 1.00 71.14 C ATOM 1584 OD1 ASP B 6 13.511 -9.260 2.825 1.00 52.43 O ATOM 1585 OD2 ASP B 6 15.035 -10.792 2.417 1.00 65.24 O ATOM 0 H ASP B 6 11.200 -8.948 1.817 1.00 35.31 H new ATOM 0 HA ASP B 6 11.761 -10.795 -0.393 1.00 55.32 H new ATOM 0 HB2 ASP B 6 14.050 -11.059 0.163 1.00 75.34 H new ATOM 0 HB3 ASP B 6 13.807 -9.325 0.080 1.00 75.34 H new ATOM 1589 N GLU B 7 12.426 -12.537 1.741 1.00 3.11 N ATOM 1590 CA GLU B 7 12.142 -13.610 2.685 1.00 5.43 C ATOM 1591 C GLU B 7 13.268 -14.641 2.693 1.00 74.53 C ATOM 1592 O GLU B 7 14.436 -14.298 2.874 1.00 61.43 O ATOM 1593 CB GLU B 7 10.816 -14.290 2.336 1.00 52.42 C ATOM 1594 CG GLU B 7 9.735 -14.092 3.386 1.00 13.11 C ATOM 1595 CD GLU B 7 10.130 -14.647 4.740 1.00 13.23 C ATOM 1596 OE1 GLU B 7 10.167 -15.887 4.886 1.00 43.10 O ATOM 1597 OE2 GLU B 7 10.402 -13.842 5.656 1.00 23.23 O ATOM 0 H GLU B 7 13.275 -12.671 1.192 1.00 3.11 H new ATOM 0 HA GLU B 7 12.066 -13.172 3.680 1.00 5.43 H new ATOM 0 HB2 GLU B 7 10.459 -13.903 1.382 1.00 52.42 H new ATOM 0 HB3 GLU B 7 10.989 -15.358 2.202 1.00 52.42 H new ATOM 0 HG2 GLU B 7 9.518 -13.028 3.483 1.00 13.11 H new ATOM 0 HG3 GLU B 7 8.817 -14.576 3.053 1.00 13.11 H new TER 1602 GLU B 7