USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 120:sc= 0.705 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -154:sc= 0.82 (180deg=0.0175) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0094 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 5 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.39) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.177) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0269 (180deg=-0.221) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000374) USER MOD Single : A 27 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.94) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 47 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.77 K(o=-1.8,f=-10!) USER MOD Single : A 63 SER OG : rot 160:sc= -0.738 USER MOD Single : A 72 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 82 MET CE :methyl -161:sc= -0.0324 (180deg=-0.35) 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 90:sc= -0.0351 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -22! (180deg=-23.8!) USER MOD Single : A 91 SER OG : rot 130:sc= -1.48 USER MOD Single : A 92 ASN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.225 F(o=-0.37,f=0.23) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ -133:sc= 0.117 (180deg=0.0743) USER MOD Single : B 4 MCL O1 : rot 120:sc= -10.2! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.189 0.742 9.503 1.00 24.41 N ATOM 2 CA GLY A 1 10.379 0.295 8.387 1.00 50.44 C ATOM 3 C GLY A 1 11.201 -0.386 7.309 1.00 20.23 C ATOM 4 O GLY A 1 12.152 -1.108 7.609 1.00 32.21 O ATOM 0 H1 GLY A 1 10.721 0.486 10.396 1.00 24.41 H new ATOM 0 H2 GLY A 1 12.123 0.286 9.459 1.00 24.41 H new ATOM 0 H3 GLY A 1 11.305 1.774 9.456 1.00 24.41 H new ATOM 0 HA2 GLY A 1 9.617 -0.395 8.749 1.00 50.44 H new ATOM 0 HA3 GLY A 1 9.857 1.149 7.956 1.00 50.44 H new ATOM 8 N SER A 2 10.833 -0.156 6.054 1.00 53.33 N ATOM 9 CA SER A 2 11.542 -0.757 4.928 1.00 70.22 C ATOM 10 C SER A 2 11.388 -2.274 4.937 1.00 4.45 C ATOM 11 O SER A 2 11.898 -2.954 5.829 1.00 42.14 O ATOM 12 CB SER A 2 13.024 -0.381 4.971 1.00 41.30 C ATOM 13 OG SER A 2 13.197 0.963 5.385 1.00 53.22 O ATOM 0 H SER A 2 10.049 0.441 5.790 1.00 53.33 H new ATOM 0 HA SER A 2 11.105 -0.371 4.007 1.00 70.22 H new ATOM 0 HB2 SER A 2 13.552 -1.046 5.655 1.00 41.30 H new ATOM 0 HB3 SER A 2 13.467 -0.521 3.985 1.00 41.30 H new ATOM 0 HG SER A 2 14.153 1.178 5.406 1.00 53.22 H new ATOM 18 N ALA A 3 10.685 -2.799 3.940 1.00 51.11 N ATOM 19 CA ALA A 3 10.467 -4.236 3.832 1.00 53.11 C ATOM 20 C ALA A 3 9.924 -4.809 5.137 1.00 52.13 C ATOM 21 O ALA A 3 10.497 -5.739 5.702 1.00 41.31 O ATOM 22 CB ALA A 3 11.758 -4.938 3.442 1.00 43.12 C ATOM 0 H ALA A 3 10.256 -2.250 3.195 1.00 51.11 H new ATOM 0 HA ALA A 3 9.724 -4.408 3.053 1.00 53.11 H new ATOM 0 HB1 ALA A 3 11.580 -6.011 3.365 1.00 43.12 H new ATOM 0 HB2 ALA A 3 12.103 -4.558 2.481 1.00 43.12 H new ATOM 0 HB3 ALA A 3 12.518 -4.750 4.200 1.00 43.12 H new ATOM 28 N GLN A 4 8.817 -4.246 5.608 1.00 23.12 N ATOM 29 CA GLN A 4 8.197 -4.701 6.849 1.00 12.24 C ATOM 30 C GLN A 4 7.128 -5.752 6.570 1.00 1.44 C ATOM 31 O GLN A 4 6.350 -5.624 5.627 1.00 61.44 O ATOM 32 CB GLN A 4 7.584 -3.518 7.602 1.00 50.05 C ATOM 33 CG GLN A 4 7.951 -3.478 9.075 1.00 62.01 C ATOM 34 CD GLN A 4 7.156 -2.445 9.847 1.00 71.34 C ATOM 35 OE1 GLN A 4 7.706 -1.454 10.330 1.00 53.13 O ATOM 36 NE2 GLN A 4 5.852 -2.670 9.969 1.00 42.12 N ATOM 0 H GLN A 4 8.330 -3.475 5.151 1.00 23.12 H new ATOM 0 HA GLN A 4 8.972 -5.153 7.468 1.00 12.24 H new ATOM 0 HB2 GLN A 4 7.908 -2.591 7.130 1.00 50.05 H new ATOM 0 HB3 GLN A 4 6.499 -3.561 7.508 1.00 50.05 H new ATOM 0 HG2 GLN A 4 7.784 -4.462 9.514 1.00 62.01 H new ATOM 0 HG3 GLN A 4 9.015 -3.261 9.175 1.00 62.01 H new ATOM 0 HE21 GLN A 4 5.437 -3.504 9.553 1.00 42.12 H new ATOM 0 HE22 GLN A 4 5.266 -2.009 10.479 1.00 42.12 H new ATOM 43 N ASN A 5 7.098 -6.792 7.397 1.00 2.14 N ATOM 44 CA ASN A 5 6.124 -7.866 7.238 1.00 34.05 C ATOM 45 C ASN A 5 4.851 -7.567 8.025 1.00 34.23 C ATOM 46 O ASN A 5 4.888 -7.398 9.244 1.00 51.13 O ATOM 47 CB ASN A 5 6.722 -9.196 7.703 1.00 31.22 C ATOM 48 CG ASN A 5 7.431 -9.077 9.038 1.00 45.30 C ATOM 49 OD1 ASN A 5 6.823 -9.255 10.094 1.00 0.32 O ATOM 50 ND2 ASN A 5 8.724 -8.777 8.997 1.00 63.31 N ATOM 0 H ASN A 5 7.736 -6.914 8.183 1.00 2.14 H new ATOM 0 HA ASN A 5 5.869 -7.938 6.181 1.00 34.05 H new ATOM 0 HB2 ASN A 5 5.929 -9.940 7.781 1.00 31.22 H new ATOM 0 HB3 ASN A 5 7.425 -9.557 6.952 1.00 31.22 H new ATOM 0 HD21 ASN A 5 9.254 -8.686 9.864 1.00 63.31 H new ATOM 0 HD22 ASN A 5 9.187 -8.638 8.099 1.00 63.31 H new ATOM 56 N ILE A 6 3.729 -7.504 7.318 1.00 74.51 N ATOM 57 CA ILE A 6 2.444 -7.226 7.949 1.00 3.43 C ATOM 58 C ILE A 6 1.417 -8.298 7.601 1.00 54.05 C ATOM 59 O ILE A 6 1.196 -8.605 6.428 1.00 54.54 O ATOM 60 CB ILE A 6 1.895 -5.849 7.529 1.00 11.43 C ATOM 61 CG1 ILE A 6 2.816 -4.735 8.031 1.00 61.31 C ATOM 62 CG2 ILE A 6 0.483 -5.658 8.062 1.00 31.21 C ATOM 63 CD1 ILE A 6 3.969 -4.438 7.098 1.00 71.24 C ATOM 0 H ILE A 6 3.683 -7.641 6.308 1.00 74.51 H new ATOM 0 HA ILE A 6 2.615 -7.226 9.025 1.00 3.43 H new ATOM 0 HB ILE A 6 1.861 -5.803 6.441 1.00 11.43 H new ATOM 0 HG12 ILE A 6 2.230 -3.827 8.172 1.00 61.31 H new ATOM 0 HG13 ILE A 6 3.212 -5.014 9.007 1.00 61.31 H new ATOM 0 HG21 ILE A 6 0.108 -4.681 7.757 1.00 31.21 H new ATOM 0 HG22 ILE A 6 -0.166 -6.437 7.661 1.00 31.21 H new ATOM 0 HG23 ILE A 6 0.493 -5.719 9.150 1.00 31.21 H new ATOM 0 HD11 ILE A 6 4.580 -3.638 7.517 1.00 71.24 H new ATOM 0 HD12 ILE A 6 4.578 -5.334 6.976 1.00 71.24 H new ATOM 0 HD13 ILE A 6 3.581 -4.128 6.128 1.00 71.24 H new ATOM 74 N THR A 7 0.789 -8.866 8.625 1.00 73.31 N ATOM 75 CA THR A 7 -0.216 -9.902 8.428 1.00 11.33 C ATOM 76 C THR A 7 -1.621 -9.312 8.415 1.00 74.24 C ATOM 77 O THR A 7 -1.924 -8.393 9.174 1.00 2.01 O ATOM 78 CB THR A 7 -0.134 -10.980 9.526 1.00 40.13 C ATOM 79 OG1 THR A 7 0.068 -10.364 10.802 1.00 64.44 O ATOM 80 CG2 THR A 7 0.998 -11.956 9.243 1.00 50.40 C ATOM 0 H THR A 7 0.959 -8.625 9.601 1.00 73.31 H new ATOM 0 HA THR A 7 -0.010 -10.361 7.461 1.00 11.33 H new ATOM 0 HB THR A 7 -1.074 -11.532 9.534 1.00 40.13 H new ATOM 0 HG1 THR A 7 0.117 -11.055 11.495 1.00 64.44 H new ATOM 0 HG21 THR A 7 1.036 -12.708 10.032 1.00 50.40 H new ATOM 0 HG22 THR A 7 0.826 -12.445 8.284 1.00 50.40 H new ATOM 0 HG23 THR A 7 1.944 -11.416 9.210 1.00 50.40 H new ATOM 88 N ALA A 8 -2.474 -9.846 7.547 1.00 20.25 N ATOM 89 CA ALA A 8 -3.848 -9.373 7.438 1.00 20.45 C ATOM 90 C ALA A 8 -4.800 -10.522 7.119 1.00 21.44 C ATOM 91 O ALA A 8 -4.370 -11.607 6.728 1.00 34.10 O ATOM 92 CB ALA A 8 -3.951 -8.289 6.375 1.00 1.50 C ATOM 0 H ALA A 8 -2.238 -10.606 6.909 1.00 20.25 H new ATOM 0 HA ALA A 8 -4.138 -8.951 8.400 1.00 20.45 H new ATOM 0 HB1 ALA A 8 -4.983 -7.945 6.305 1.00 1.50 H new ATOM 0 HB2 ALA A 8 -3.307 -7.452 6.645 1.00 1.50 H new ATOM 0 HB3 ALA A 8 -3.637 -8.692 5.412 1.00 1.50 H new ATOM 98 N ARG A 9 -6.095 -10.275 7.291 1.00 42.12 N ATOM 99 CA ARG A 9 -7.106 -11.289 7.023 1.00 65.51 C ATOM 100 C ARG A 9 -8.079 -10.817 5.946 1.00 55.41 C ATOM 101 O ARG A 9 -8.339 -9.622 5.811 1.00 22.42 O ATOM 102 CB ARG A 9 -7.874 -11.626 8.305 1.00 71.03 C ATOM 103 CG ARG A 9 -7.400 -12.901 8.981 1.00 61.01 C ATOM 104 CD ARG A 9 -6.516 -12.602 10.180 1.00 15.10 C ATOM 105 NE ARG A 9 -6.560 -13.670 11.176 1.00 74.02 N ATOM 106 CZ ARG A 9 -5.857 -13.655 12.301 1.00 23.12 C ATOM 107 NH1 ARG A 9 -5.059 -12.632 12.576 1.00 35.13 N ATOM 108 NH2 ARG A 9 -5.950 -14.665 13.157 1.00 71.52 N ATOM 0 H ARG A 9 -6.467 -9.382 7.614 1.00 42.12 H new ATOM 0 HA ARG A 9 -6.599 -12.184 6.664 1.00 65.51 H new ATOM 0 HB2 ARG A 9 -7.777 -10.796 9.005 1.00 71.03 H new ATOM 0 HB3 ARG A 9 -8.934 -11.722 8.069 1.00 71.03 H new ATOM 0 HG2 ARG A 9 -8.262 -13.486 9.301 1.00 61.01 H new ATOM 0 HG3 ARG A 9 -6.849 -13.510 8.265 1.00 61.01 H new ATOM 0 HD2 ARG A 9 -5.488 -12.461 9.846 1.00 15.10 H new ATOM 0 HD3 ARG A 9 -6.833 -11.666 10.639 1.00 15.10 H new ATOM 0 HE ARG A 9 -7.165 -14.472 10.996 1.00 74.02 H new ATOM 0 HH11 ARG A 9 -4.984 -11.853 11.922 1.00 35.13 H new ATOM 0 HH12 ARG A 9 -4.520 -12.624 13.442 1.00 35.13 H new ATOM 0 HH21 ARG A 9 -6.562 -15.454 12.950 1.00 71.52 H new ATOM 0 HH22 ARG A 9 -5.409 -14.652 14.022 1.00 71.52 H new ATOM 119 N ILE A 10 -8.611 -11.765 5.180 1.00 14.13 N ATOM 120 CA ILE A 10 -9.553 -11.445 4.114 1.00 2.23 C ATOM 121 C ILE A 10 -10.763 -10.692 4.659 1.00 43.43 C ATOM 122 O ILE A 10 -11.482 -11.193 5.524 1.00 41.33 O ATOM 123 CB ILE A 10 -10.036 -12.716 3.391 1.00 12.50 C ATOM 124 CG1 ILE A 10 -8.884 -13.351 2.609 1.00 41.20 C ATOM 125 CG2 ILE A 10 -11.196 -12.388 2.463 1.00 32.54 C ATOM 126 CD1 ILE A 10 -8.969 -14.860 2.526 1.00 13.03 C ATOM 0 H ILE A 10 -8.406 -12.759 5.278 1.00 14.13 H new ATOM 0 HA ILE A 10 -9.023 -10.811 3.403 1.00 2.23 H new ATOM 0 HB ILE A 10 -10.384 -13.432 4.136 1.00 12.50 H new ATOM 0 HG12 ILE A 10 -8.871 -12.940 1.600 1.00 41.20 H new ATOM 0 HG13 ILE A 10 -7.940 -13.074 3.079 1.00 41.20 H new ATOM 0 HG21 ILE A 10 -11.527 -13.296 1.959 1.00 32.54 H new ATOM 0 HG22 ILE A 10 -12.021 -11.974 3.044 1.00 32.54 H new ATOM 0 HG23 ILE A 10 -10.873 -11.658 1.721 1.00 32.54 H new ATOM 0 HD11 ILE A 10 -8.121 -15.242 1.958 1.00 13.03 H new ATOM 0 HD12 ILE A 10 -8.952 -15.281 3.531 1.00 13.03 H new ATOM 0 HD13 ILE A 10 -9.896 -15.145 2.029 1.00 13.03 H new ATOM 137 N GLY A 11 -10.985 -9.488 4.144 1.00 20.23 N ATOM 138 CA GLY A 11 -12.109 -8.686 4.589 1.00 70.45 C ATOM 139 C GLY A 11 -11.773 -7.831 5.794 1.00 11.31 C ATOM 140 O GLY A 11 -12.653 -7.207 6.385 1.00 11.12 O ATOM 0 H GLY A 11 -10.406 -9.053 3.426 1.00 20.23 H new ATOM 0 HA2 GLY A 11 -12.438 -8.043 3.772 1.00 70.45 H new ATOM 0 HA3 GLY A 11 -12.944 -9.342 4.835 1.00 70.45 H new ATOM 144 N GLU A 12 -10.495 -7.803 6.159 1.00 62.01 N ATOM 145 CA GLU A 12 -10.045 -7.020 7.303 1.00 24.44 C ATOM 146 C GLU A 12 -9.369 -5.730 6.848 1.00 13.43 C ATOM 147 O GLU A 12 -8.598 -5.710 5.888 1.00 33.41 O ATOM 148 CB GLU A 12 -9.080 -7.840 8.164 1.00 11.43 C ATOM 149 CG GLU A 12 -9.714 -9.072 8.784 1.00 4.12 C ATOM 150 CD GLU A 12 -11.102 -8.801 9.334 1.00 72.24 C ATOM 151 OE1 GLU A 12 -11.217 -7.992 10.278 1.00 41.12 O ATOM 152 OE2 GLU A 12 -12.071 -9.396 8.818 1.00 2.02 O ATOM 0 H GLU A 12 -9.754 -8.313 5.679 1.00 62.01 H new ATOM 0 HA GLU A 12 -10.920 -6.760 7.899 1.00 24.44 H new ATOM 0 HB2 GLU A 12 -8.232 -8.147 7.552 1.00 11.43 H new ATOM 0 HB3 GLU A 12 -8.687 -7.206 8.958 1.00 11.43 H new ATOM 0 HG2 GLU A 12 -9.772 -9.862 8.035 1.00 4.12 H new ATOM 0 HG3 GLU A 12 -9.075 -9.440 9.587 1.00 4.12 H new ATOM 157 N PRO A 13 -9.662 -4.628 7.554 1.00 11.31 N ATOM 158 CA PRO A 13 -9.094 -3.313 7.241 1.00 23.13 C ATOM 159 C PRO A 13 -7.603 -3.237 7.557 1.00 72.12 C ATOM 160 O PRO A 13 -7.135 -3.822 8.534 1.00 32.24 O ATOM 161 CB PRO A 13 -9.881 -2.362 8.146 1.00 22.31 C ATOM 162 CG PRO A 13 -10.335 -3.210 9.284 1.00 12.41 C ATOM 163 CD PRO A 13 -10.572 -4.580 8.711 1.00 61.23 C ATOM 0 HA PRO A 13 -9.173 -3.076 6.180 1.00 23.13 H new ATOM 0 HB2 PRO A 13 -9.257 -1.537 8.491 1.00 22.31 H new ATOM 0 HB3 PRO A 13 -10.727 -1.922 7.618 1.00 22.31 H new ATOM 0 HG2 PRO A 13 -9.582 -3.241 10.072 1.00 12.41 H new ATOM 0 HG3 PRO A 13 -11.246 -2.810 9.729 1.00 12.41 H new ATOM 0 HD2 PRO A 13 -10.344 -5.363 9.434 1.00 61.23 H new ATOM 0 HD3 PRO A 13 -11.611 -4.716 8.411 1.00 61.23 H new ATOM 168 N LEU A 14 -6.864 -2.512 6.724 1.00 22.33 N ATOM 169 CA LEU A 14 -5.426 -2.358 6.915 1.00 24.04 C ATOM 170 C LEU A 14 -4.967 -0.966 6.494 1.00 73.00 C ATOM 171 O LEU A 14 -5.443 -0.419 5.499 1.00 64.41 O ATOM 172 CB LEU A 14 -4.669 -3.421 6.116 1.00 70.34 C ATOM 173 CG LEU A 14 -3.172 -3.539 6.404 1.00 23.45 C ATOM 174 CD1 LEU A 14 -2.940 -4.096 7.800 1.00 42.05 C ATOM 175 CD2 LEU A 14 -2.494 -4.413 5.360 1.00 35.43 C ATOM 0 H LEU A 14 -7.237 -2.022 5.911 1.00 22.33 H new ATOM 0 HA LEU A 14 -5.209 -2.486 7.975 1.00 24.04 H new ATOM 0 HB2 LEU A 14 -5.133 -4.389 6.307 1.00 70.34 H new ATOM 0 HB3 LEU A 14 -4.799 -3.210 5.055 1.00 70.34 H new ATOM 0 HG LEU A 14 -2.733 -2.543 6.354 1.00 23.45 H new ATOM 0 HD11 LEU A 14 -1.869 -4.173 7.988 1.00 42.05 H new ATOM 0 HD12 LEU A 14 -3.390 -3.431 8.537 1.00 42.05 H new ATOM 0 HD13 LEU A 14 -3.394 -5.084 7.878 1.00 42.05 H new ATOM 0 HD21 LEU A 14 -1.429 -4.485 5.582 1.00 35.43 H new ATOM 0 HD22 LEU A 14 -2.936 -5.409 5.377 1.00 35.43 H new ATOM 0 HD23 LEU A 14 -2.630 -3.972 4.372 1.00 35.43 H new ATOM 186 N VAL A 15 -4.037 -0.399 7.256 1.00 2.51 N ATOM 187 CA VAL A 15 -3.510 0.928 6.959 1.00 24.51 C ATOM 188 C VAL A 15 -1.990 0.904 6.849 1.00 44.31 C ATOM 189 O VAL A 15 -1.316 0.159 7.563 1.00 44.44 O ATOM 190 CB VAL A 15 -3.920 1.947 8.038 1.00 24.03 C ATOM 191 CG1 VAL A 15 -3.416 3.336 7.679 1.00 20.14 C ATOM 192 CG2 VAL A 15 -5.430 1.951 8.222 1.00 51.34 C ATOM 0 H VAL A 15 -3.633 -0.838 8.083 1.00 2.51 H new ATOM 0 HA VAL A 15 -3.935 1.231 6.002 1.00 24.51 H new ATOM 0 HB VAL A 15 -3.463 1.653 8.983 1.00 24.03 H new ATOM 0 HG11 VAL A 15 -3.715 4.043 8.453 1.00 20.14 H new ATOM 0 HG12 VAL A 15 -2.329 3.320 7.603 1.00 20.14 H new ATOM 0 HG13 VAL A 15 -3.842 3.642 6.724 1.00 20.14 H new ATOM 0 HG21 VAL A 15 -5.701 2.677 8.988 1.00 51.34 H new ATOM 0 HG22 VAL A 15 -5.910 2.220 7.281 1.00 51.34 H new ATOM 0 HG23 VAL A 15 -5.762 0.959 8.528 1.00 51.34 H new ATOM 202 N LEU A 16 -1.454 1.724 5.952 1.00 25.22 N ATOM 203 CA LEU A 16 -0.012 1.798 5.748 1.00 51.14 C ATOM 204 C LEU A 16 0.465 3.246 5.750 1.00 51.11 C ATOM 205 O LEU A 16 -0.260 4.150 5.329 1.00 51.23 O ATOM 206 CB LEU A 16 0.372 1.124 4.430 1.00 50.43 C ATOM 207 CG LEU A 16 0.222 -0.398 4.385 1.00 33.03 C ATOM 208 CD1 LEU A 16 0.728 -0.945 3.060 1.00 62.02 C ATOM 209 CD2 LEU A 16 0.966 -1.041 5.547 1.00 33.21 C ATOM 0 H LEU A 16 -1.997 2.347 5.354 1.00 25.22 H new ATOM 0 HA LEU A 16 0.474 1.274 6.571 1.00 51.14 H new ATOM 0 HB2 LEU A 16 -0.238 1.553 3.635 1.00 50.43 H new ATOM 0 HB3 LEU A 16 1.409 1.374 4.206 1.00 50.43 H new ATOM 0 HG LEU A 16 -0.836 -0.643 4.476 1.00 33.03 H new ATOM 0 HD11 LEU A 16 0.613 -2.029 3.046 1.00 62.02 H new ATOM 0 HD12 LEU A 16 0.153 -0.509 2.243 1.00 62.02 H new ATOM 0 HD13 LEU A 16 1.781 -0.690 2.939 1.00 62.02 H new ATOM 0 HD21 LEU A 16 0.849 -2.124 5.500 1.00 33.21 H new ATOM 0 HD22 LEU A 16 2.024 -0.788 5.486 1.00 33.21 H new ATOM 0 HD23 LEU A 16 0.558 -0.673 6.488 1.00 33.21 H new ATOM 220 N LYS A 17 1.687 3.461 6.221 1.00 20.22 N ATOM 221 CA LYS A 17 2.264 4.799 6.274 1.00 33.45 C ATOM 222 C LYS A 17 3.439 4.925 5.310 1.00 12.34 C ATOM 223 O LYS A 17 4.109 3.938 5.000 1.00 20.34 O ATOM 224 CB LYS A 17 2.720 5.125 7.698 1.00 13.23 C ATOM 225 CG LYS A 17 2.198 6.454 8.217 1.00 54.34 C ATOM 226 CD LYS A 17 0.716 6.383 8.541 1.00 34.33 C ATOM 227 CE LYS A 17 0.444 5.435 9.699 1.00 50.20 C ATOM 228 NZ LYS A 17 -0.607 5.962 10.612 1.00 3.11 N ATOM 0 H LYS A 17 2.299 2.725 6.573 1.00 20.22 H new ATOM 0 HA LYS A 17 1.495 5.510 5.974 1.00 33.45 H new ATOM 0 HB2 LYS A 17 2.391 4.329 8.367 1.00 13.23 H new ATOM 0 HB3 LYS A 17 3.810 5.136 7.728 1.00 13.23 H new ATOM 0 HG2 LYS A 17 2.753 6.740 9.110 1.00 54.34 H new ATOM 0 HG3 LYS A 17 2.372 7.230 7.472 1.00 54.34 H new ATOM 0 HD2 LYS A 17 0.349 7.379 8.790 1.00 34.33 H new ATOM 0 HD3 LYS A 17 0.165 6.051 7.661 1.00 34.33 H new ATOM 0 HE2 LYS A 17 0.134 4.465 9.309 1.00 50.20 H new ATOM 0 HE3 LYS A 17 1.365 5.273 10.260 1.00 50.20 H new ATOM 0 HZ1 LYS A 17 -0.763 5.287 11.388 1.00 3.11 H new ATOM 0 HZ2 LYS A 17 -0.300 6.875 11.004 1.00 3.11 H new ATOM 0 HZ3 LYS A 17 -1.493 6.092 10.083 1.00 3.11 H new ATOM 238 N CYS A 18 3.688 6.143 4.842 1.00 44.42 N ATOM 239 CA CYS A 18 4.784 6.397 3.915 1.00 42.14 C ATOM 240 C CYS A 18 5.935 7.111 4.616 1.00 5.11 C ATOM 241 O CYS A 18 5.893 8.322 4.829 1.00 51.30 O ATOM 242 CB CYS A 18 4.295 7.236 2.732 1.00 31.01 C ATOM 243 SG CYS A 18 5.448 7.277 1.322 1.00 23.03 S ATOM 0 H CYS A 18 3.145 6.970 5.090 1.00 44.42 H new ATOM 0 HA CYS A 18 5.145 5.437 3.547 1.00 42.14 H new ATOM 0 HB2 CYS A 18 3.337 6.842 2.393 1.00 31.01 H new ATOM 0 HB3 CYS A 18 4.118 8.256 3.073 1.00 31.01 H new ATOM 247 N LYS A 19 6.965 6.350 4.974 1.00 70.21 N ATOM 248 CA LYS A 19 8.130 6.907 5.651 1.00 71.14 C ATOM 249 C LYS A 19 8.701 8.085 4.868 1.00 0.32 C ATOM 250 O LYS A 19 9.031 7.959 3.689 1.00 3.05 O ATOM 251 CB LYS A 19 9.204 5.832 5.830 1.00 45.41 C ATOM 252 CG LYS A 19 9.334 5.336 7.260 1.00 24.44 C ATOM 253 CD LYS A 19 8.258 4.316 7.597 1.00 55.41 C ATOM 254 CE LYS A 19 7.824 4.425 9.050 1.00 60.02 C ATOM 255 NZ LYS A 19 8.986 4.406 9.980 1.00 15.04 N ATOM 0 H LYS A 19 7.016 5.345 4.806 1.00 70.21 H new ATOM 0 HA LYS A 19 7.814 7.263 6.632 1.00 71.14 H new ATOM 0 HB2 LYS A 19 8.973 4.988 5.181 1.00 45.41 H new ATOM 0 HB3 LYS A 19 10.164 6.231 5.504 1.00 45.41 H new ATOM 0 HG2 LYS A 19 10.318 4.889 7.403 1.00 24.44 H new ATOM 0 HG3 LYS A 19 9.264 6.180 7.946 1.00 24.44 H new ATOM 0 HD2 LYS A 19 7.396 4.466 6.946 1.00 55.41 H new ATOM 0 HD3 LYS A 19 8.633 3.311 7.402 1.00 55.41 H new ATOM 0 HE2 LYS A 19 7.260 5.347 9.192 1.00 60.02 H new ATOM 0 HE3 LYS A 19 7.153 3.601 9.291 1.00 60.02 H new ATOM 0 HZ1 LYS A 19 8.648 4.277 10.955 1.00 15.04 H new ATOM 0 HZ2 LYS A 19 9.620 3.622 9.727 1.00 15.04 H new ATOM 0 HZ3 LYS A 19 9.503 5.306 9.908 1.00 15.04 H new ATOM 265 N GLY A 20 8.816 9.232 5.532 1.00 3.43 N ATOM 266 CA GLY A 20 9.350 10.414 4.884 1.00 13.43 C ATOM 267 C GLY A 20 8.410 11.599 4.974 1.00 22.42 C ATOM 268 O GLY A 20 8.839 12.724 5.232 1.00 62.24 O ATOM 0 H GLY A 20 8.548 9.362 6.508 1.00 3.43 H new ATOM 0 HA2 GLY A 20 10.304 10.676 5.341 1.00 13.43 H new ATOM 0 HA3 GLY A 20 9.549 10.191 3.836 1.00 13.43 H new ATOM 272 N ALA A 21 7.121 11.348 4.761 1.00 2.34 N ATOM 273 CA ALA A 21 6.118 12.403 4.821 1.00 54.13 C ATOM 274 C ALA A 21 5.567 12.559 6.235 1.00 0.41 C ATOM 275 O ALA A 21 5.135 11.595 6.868 1.00 50.34 O ATOM 276 CB ALA A 21 4.989 12.114 3.843 1.00 54.22 C ATOM 0 H ALA A 21 6.748 10.423 4.546 1.00 2.34 H new ATOM 0 HA ALA A 21 6.597 13.341 4.540 1.00 54.13 H new ATOM 0 HB1 ALA A 21 4.247 12.910 3.899 1.00 54.22 H new ATOM 0 HB2 ALA A 21 5.389 12.061 2.831 1.00 54.22 H new ATOM 0 HB3 ALA A 21 4.521 11.163 4.098 1.00 54.22 H new ATOM 282 N PRO A 22 5.584 13.799 6.744 1.00 21.34 N ATOM 283 CA PRO A 22 5.090 14.108 8.090 1.00 42.32 C ATOM 284 C PRO A 22 3.573 13.980 8.194 1.00 13.42 C ATOM 285 O PRO A 22 2.929 13.387 7.329 1.00 32.34 O ATOM 286 CB PRO A 22 5.519 15.563 8.299 1.00 22.13 C ATOM 287 CG PRO A 22 5.628 16.128 6.925 1.00 62.13 C ATOM 288 CD PRO A 22 6.085 14.995 6.047 1.00 3.13 C ATOM 0 HA PRO A 22 5.485 13.421 8.838 1.00 42.32 H new ATOM 0 HB2 PRO A 22 4.788 16.109 8.895 1.00 22.13 H new ATOM 0 HB3 PRO A 22 6.470 15.623 8.828 1.00 22.13 H new ATOM 0 HG2 PRO A 22 4.669 16.521 6.587 1.00 62.13 H new ATOM 0 HG3 PRO A 22 6.339 16.954 6.898 1.00 62.13 H new ATOM 0 HD2 PRO A 22 5.674 15.075 5.041 1.00 3.13 H new ATOM 0 HD3 PRO A 22 7.170 14.977 5.947 1.00 3.13 H new ATOM 293 N LYS A 23 3.010 14.539 9.259 1.00 33.31 N ATOM 294 CA LYS A 23 1.569 14.489 9.478 1.00 53.40 C ATOM 295 C LYS A 23 0.814 14.917 8.223 1.00 51.41 C ATOM 296 O LYS A 23 -0.126 14.248 7.792 1.00 14.05 O ATOM 297 CB LYS A 23 1.179 15.389 10.652 1.00 32.50 C ATOM 298 CG LYS A 23 1.186 14.675 11.992 1.00 24.24 C ATOM 299 CD LYS A 23 2.548 14.762 12.663 1.00 3.33 C ATOM 300 CE LYS A 23 2.679 16.027 13.497 1.00 13.34 C ATOM 301 NZ LYS A 23 1.828 15.977 14.718 1.00 20.22 N ATOM 0 H LYS A 23 3.530 15.032 9.985 1.00 33.31 H new ATOM 0 HA LYS A 23 1.297 13.460 9.712 1.00 53.40 H new ATOM 0 HB2 LYS A 23 1.867 16.234 10.696 1.00 32.50 H new ATOM 0 HB3 LYS A 23 0.184 15.797 10.472 1.00 32.50 H new ATOM 0 HG2 LYS A 23 0.430 15.114 12.643 1.00 24.24 H new ATOM 0 HG3 LYS A 23 0.916 13.629 11.849 1.00 24.24 H new ATOM 0 HD2 LYS A 23 2.698 13.889 13.298 1.00 3.33 H new ATOM 0 HD3 LYS A 23 3.330 14.743 11.904 1.00 3.33 H new ATOM 0 HE2 LYS A 23 3.721 16.165 13.786 1.00 13.34 H new ATOM 0 HE3 LYS A 23 2.398 16.890 12.894 1.00 13.34 H new ATOM 0 HZ1 LYS A 23 2.169 16.677 15.408 1.00 20.22 H new ATOM 0 HZ2 LYS A 23 0.843 16.193 14.464 1.00 20.22 H new ATOM 0 HZ3 LYS A 23 1.877 15.026 15.136 1.00 20.22 H new ATOM 311 N LYS A 24 1.231 16.036 7.639 1.00 22.03 N ATOM 312 CA LYS A 24 0.596 16.553 6.433 1.00 62.43 C ATOM 313 C LYS A 24 1.477 16.316 5.211 1.00 14.44 C ATOM 314 O LYS A 24 2.699 16.194 5.311 1.00 64.42 O ATOM 315 CB LYS A 24 0.306 18.048 6.584 1.00 53.11 C ATOM 316 CG LYS A 24 1.470 18.937 6.179 1.00 43.33 C ATOM 317 CD LYS A 24 2.670 18.734 7.089 1.00 71.11 C ATOM 318 CE LYS A 24 3.773 19.739 6.790 1.00 63.31 C ATOM 319 NZ LYS A 24 4.407 19.489 5.468 1.00 53.15 N ATOM 0 H LYS A 24 2.007 16.602 7.982 1.00 22.03 H new ATOM 0 HA LYS A 24 -0.344 16.020 6.291 1.00 62.43 H new ATOM 0 HB2 LYS A 24 -0.564 18.304 5.979 1.00 53.11 H new ATOM 0 HB3 LYS A 24 0.045 18.256 7.622 1.00 53.11 H new ATOM 0 HG2 LYS A 24 1.753 18.721 5.149 1.00 43.33 H new ATOM 0 HG3 LYS A 24 1.160 19.981 6.212 1.00 43.33 H new ATOM 0 HD2 LYS A 24 2.360 18.832 8.129 1.00 71.11 H new ATOM 0 HD3 LYS A 24 3.055 17.722 6.965 1.00 71.11 H new ATOM 0 HE2 LYS A 24 3.360 20.748 6.810 1.00 63.31 H new ATOM 0 HE3 LYS A 24 4.531 19.689 7.572 1.00 63.31 H new ATOM 0 HZ1 LYS A 24 5.164 20.184 5.309 1.00 53.15 H new ATOM 0 HZ2 LYS A 24 4.808 18.530 5.451 1.00 53.15 H new ATOM 0 HZ3 LYS A 24 3.692 19.578 4.718 1.00 53.15 H new ATOM 329 N PRO A 25 0.848 16.251 4.029 1.00 22.33 N ATOM 330 CA PRO A 25 1.556 16.031 2.764 1.00 23.41 C ATOM 331 C PRO A 25 2.402 17.231 2.357 1.00 32.03 C ATOM 332 O PRO A 25 1.888 18.284 1.979 1.00 24.55 O ATOM 333 CB PRO A 25 0.424 15.808 1.758 1.00 44.35 C ATOM 334 CG PRO A 25 -0.749 16.515 2.344 1.00 22.03 C ATOM 335 CD PRO A 25 -0.607 16.387 3.836 1.00 1.15 C ATOM 0 HA PRO A 25 2.257 15.199 2.829 1.00 23.41 H new ATOM 0 HB2 PRO A 25 0.680 16.211 0.778 1.00 44.35 H new ATOM 0 HB3 PRO A 25 0.219 14.746 1.622 1.00 44.35 H new ATOM 0 HG2 PRO A 25 -0.764 17.562 2.042 1.00 22.03 H new ATOM 0 HG3 PRO A 25 -1.684 16.071 2.001 1.00 22.03 H new ATOM 0 HD2 PRO A 25 -1.001 17.261 4.354 1.00 1.15 H new ATOM 0 HD3 PRO A 25 -1.146 15.520 4.218 1.00 1.15 H new ATOM 340 N PRO A 26 3.732 17.074 2.435 1.00 43.31 N ATOM 341 CA PRO A 26 4.678 18.135 2.078 1.00 23.00 C ATOM 342 C PRO A 26 4.700 18.410 0.577 1.00 34.42 C ATOM 343 O PRO A 26 3.978 19.279 0.088 1.00 73.23 O ATOM 344 CB PRO A 26 6.027 17.578 2.538 1.00 24.33 C ATOM 345 CG PRO A 26 5.852 16.098 2.519 1.00 33.34 C ATOM 346 CD PRO A 26 4.414 15.847 2.877 1.00 22.20 C ATOM 0 HA PRO A 26 4.415 19.087 2.539 1.00 23.00 H new ATOM 0 HB2 PRO A 26 6.832 17.890 1.873 1.00 24.33 H new ATOM 0 HB3 PRO A 26 6.283 17.934 3.536 1.00 24.33 H new ATOM 0 HG2 PRO A 26 6.086 15.690 1.536 1.00 33.34 H new ATOM 0 HG3 PRO A 26 6.521 15.617 3.232 1.00 33.34 H new ATOM 0 HD2 PRO A 26 4.022 14.965 2.370 1.00 22.20 H new ATOM 0 HD3 PRO A 26 4.290 15.682 3.947 1.00 22.20 H new ATOM 351 N GLN A 27 5.530 17.666 -0.144 1.00 14.45 N ATOM 352 CA GLN A 27 5.646 17.831 -1.588 1.00 24.01 C ATOM 353 C GLN A 27 4.926 16.707 -2.324 1.00 2.10 C ATOM 354 O GLN A 27 4.319 15.834 -1.702 1.00 41.12 O ATOM 355 CB GLN A 27 7.118 17.868 -2.003 1.00 32.41 C ATOM 356 CG GLN A 27 7.914 18.974 -1.327 1.00 64.41 C ATOM 357 CD GLN A 27 7.178 20.299 -1.319 1.00 15.14 C ATOM 358 OE1 GLN A 27 6.525 20.666 -2.296 1.00 30.13 O ATOM 359 NE2 GLN A 27 7.282 21.026 -0.212 1.00 42.01 N ATOM 0 H GLN A 27 6.133 16.942 0.248 1.00 14.45 H new ATOM 0 HA GLN A 27 5.176 18.777 -1.858 1.00 24.01 H new ATOM 0 HB2 GLN A 27 7.577 16.907 -1.770 1.00 32.41 H new ATOM 0 HB3 GLN A 27 7.179 17.996 -3.084 1.00 32.41 H new ATOM 0 HG2 GLN A 27 8.138 18.681 -0.301 1.00 64.41 H new ATOM 0 HG3 GLN A 27 8.868 19.095 -1.840 1.00 64.41 H new ATOM 0 HE21 GLN A 27 7.834 20.682 0.574 1.00 42.01 H new ATOM 0 HE22 GLN A 27 6.810 21.928 -0.148 1.00 42.01 H new ATOM 366 N ARG A 28 4.997 16.734 -3.651 1.00 21.22 N ATOM 367 CA ARG A 28 4.349 15.717 -4.471 1.00 4.32 C ATOM 368 C ARG A 28 4.976 14.347 -4.232 1.00 25.12 C ATOM 369 O ARG A 28 6.198 14.213 -4.173 1.00 2.53 O ATOM 370 CB ARG A 28 4.453 16.085 -5.953 1.00 24.13 C ATOM 371 CG ARG A 28 3.792 17.410 -6.299 1.00 70.40 C ATOM 372 CD ARG A 28 3.943 17.739 -7.775 1.00 33.30 C ATOM 373 NE ARG A 28 2.916 17.093 -8.588 1.00 51.35 N ATOM 374 CZ ARG A 28 2.895 17.134 -9.916 1.00 52.03 C ATOM 375 NH1 ARG A 28 3.841 17.789 -10.577 1.00 5.41 N ATOM 376 NH2 ARG A 28 1.928 16.522 -10.586 1.00 2.53 N ATOM 0 H ARG A 28 5.496 17.448 -4.181 1.00 21.22 H new ATOM 0 HA ARG A 28 3.298 15.672 -4.187 1.00 4.32 H new ATOM 0 HB2 ARG A 28 5.505 16.129 -6.235 1.00 24.13 H new ATOM 0 HB3 ARG A 28 3.996 15.294 -6.548 1.00 24.13 H new ATOM 0 HG2 ARG A 28 2.734 17.368 -6.041 1.00 70.40 H new ATOM 0 HG3 ARG A 28 4.235 18.206 -5.701 1.00 70.40 H new ATOM 0 HD2 ARG A 28 3.888 18.819 -7.913 1.00 33.30 H new ATOM 0 HD3 ARG A 28 4.928 17.423 -8.118 1.00 33.30 H new ATOM 0 HE ARG A 28 2.174 16.582 -8.110 1.00 51.35 H new ATOM 0 HH11 ARG A 28 4.586 18.262 -10.066 1.00 5.41 H new ATOM 0 HH12 ARG A 28 3.823 17.819 -11.596 1.00 5.41 H new ATOM 0 HH21 ARG A 28 1.198 16.018 -10.082 1.00 2.53 H new ATOM 0 HH22 ARG A 28 1.914 16.555 -11.605 1.00 2.53 H new ATOM 387 N LEU A 29 4.129 13.331 -4.095 1.00 10.33 N ATOM 388 CA LEU A 29 4.599 11.970 -3.862 1.00 11.21 C ATOM 389 C LEU A 29 3.842 10.975 -4.734 1.00 73.31 C ATOM 390 O LEU A 29 2.766 11.280 -5.248 1.00 32.24 O ATOM 391 CB LEU A 29 4.437 11.599 -2.386 1.00 72.10 C ATOM 392 CG LEU A 29 3.065 11.880 -1.772 1.00 14.31 C ATOM 393 CD1 LEU A 29 2.078 10.785 -2.144 1.00 71.20 C ATOM 394 CD2 LEU A 29 3.176 12.011 -0.259 1.00 2.01 C ATOM 0 H LEU A 29 3.114 13.425 -4.141 1.00 10.33 H new ATOM 0 HA LEU A 29 5.655 11.927 -4.128 1.00 11.21 H new ATOM 0 HB2 LEU A 29 4.653 10.537 -2.273 1.00 72.10 H new ATOM 0 HB3 LEU A 29 5.188 12.140 -1.811 1.00 72.10 H new ATOM 0 HG LEU A 29 2.695 12.824 -2.173 1.00 14.31 H new ATOM 0 HD11 LEU A 29 1.108 11.003 -1.698 1.00 71.20 H new ATOM 0 HD12 LEU A 29 1.977 10.739 -3.228 1.00 71.20 H new ATOM 0 HD13 LEU A 29 2.441 9.827 -1.773 1.00 71.20 H new ATOM 0 HD21 LEU A 29 2.191 12.211 0.162 1.00 2.01 H new ATOM 0 HD22 LEU A 29 3.568 11.084 0.159 1.00 2.01 H new ATOM 0 HD23 LEU A 29 3.849 12.832 -0.013 1.00 2.01 H new ATOM 405 N GLU A 30 4.411 9.785 -4.898 1.00 1.22 N ATOM 406 CA GLU A 30 3.787 8.745 -5.708 1.00 11.21 C ATOM 407 C GLU A 30 3.535 7.488 -4.880 1.00 74.23 C ATOM 408 O GLU A 30 4.294 7.173 -3.964 1.00 12.03 O ATOM 409 CB GLU A 30 4.670 8.409 -6.912 1.00 63.20 C ATOM 410 CG GLU A 30 4.153 7.241 -7.737 1.00 34.40 C ATOM 411 CD GLU A 30 5.036 6.937 -8.934 1.00 24.54 C ATOM 412 OE1 GLU A 30 4.979 7.698 -9.921 1.00 63.42 O ATOM 413 OE2 GLU A 30 5.782 5.939 -8.879 1.00 25.10 O ATOM 0 H GLU A 30 5.302 9.517 -4.481 1.00 1.22 H new ATOM 0 HA GLU A 30 2.828 9.122 -6.063 1.00 11.21 H new ATOM 0 HB2 GLU A 30 4.749 9.288 -7.551 1.00 63.20 H new ATOM 0 HB3 GLU A 30 5.676 8.179 -6.562 1.00 63.20 H new ATOM 0 HG2 GLU A 30 4.086 6.356 -7.105 1.00 34.40 H new ATOM 0 HG3 GLU A 30 3.143 7.463 -8.082 1.00 34.40 H new ATOM 418 N TRP A 31 2.464 6.775 -5.209 1.00 53.33 N ATOM 419 CA TRP A 31 2.112 5.552 -4.496 1.00 61.45 C ATOM 420 C TRP A 31 1.991 4.376 -5.460 1.00 43.30 C ATOM 421 O TRP A 31 1.435 4.507 -6.550 1.00 31.13 O ATOM 422 CB TRP A 31 0.799 5.742 -3.737 1.00 25.12 C ATOM 423 CG TRP A 31 0.987 6.245 -2.338 1.00 43.32 C ATOM 424 CD1 TRP A 31 1.230 7.534 -1.957 1.00 31.04 C ATOM 425 CD2 TRP A 31 0.953 5.469 -1.137 1.00 4.12 C ATOM 426 NE1 TRP A 31 1.348 7.605 -0.590 1.00 3.24 N ATOM 427 CE2 TRP A 31 1.181 6.351 -0.063 1.00 32.33 C ATOM 428 CE3 TRP A 31 0.749 4.114 -0.861 1.00 42.15 C ATOM 429 CZ2 TRP A 31 1.211 5.922 1.261 1.00 31.02 C ATOM 430 CZ3 TRP A 31 0.780 3.689 0.453 1.00 42.41 C ATOM 431 CH2 TRP A 31 1.009 4.590 1.501 1.00 3.21 C ATOM 0 H TRP A 31 1.825 7.022 -5.964 1.00 53.33 H new ATOM 0 HA TRP A 31 2.908 5.333 -3.784 1.00 61.45 H new ATOM 0 HB2 TRP A 31 0.169 6.443 -4.285 1.00 25.12 H new ATOM 0 HB3 TRP A 31 0.266 4.792 -3.705 1.00 25.12 H new ATOM 0 HD1 TRP A 31 1.317 8.374 -2.631 1.00 31.04 H new ATOM 0 HE1 TRP A 31 1.530 8.454 -0.054 1.00 3.24 H new ATOM 0 HE3 TRP A 31 0.570 3.411 -1.661 1.00 42.15 H new ATOM 0 HZ2 TRP A 31 1.387 6.616 2.070 1.00 31.02 H new ATOM 0 HZ3 TRP A 31 0.625 2.644 0.676 1.00 42.41 H new ATOM 0 HH2 TRP A 31 1.026 4.226 2.518 1.00 3.21 H new ATOM 441 N LYS A 32 2.518 3.227 -5.050 1.00 30.42 N ATOM 442 CA LYS A 32 2.468 2.026 -5.876 1.00 51.24 C ATOM 443 C LYS A 32 2.211 0.789 -5.021 1.00 43.34 C ATOM 444 O LYS A 32 2.751 0.658 -3.922 1.00 64.23 O ATOM 445 CB LYS A 32 3.778 1.860 -6.650 1.00 62.32 C ATOM 446 CG LYS A 32 3.601 1.218 -8.016 1.00 61.41 C ATOM 447 CD LYS A 32 4.770 1.532 -8.934 1.00 65.45 C ATOM 448 CE LYS A 32 5.881 0.504 -8.792 1.00 40.23 C ATOM 449 NZ LYS A 32 6.675 0.367 -10.044 1.00 55.22 N ATOM 0 H LYS A 32 2.984 3.102 -4.151 1.00 30.42 H new ATOM 0 HA LYS A 32 1.646 2.135 -6.583 1.00 51.24 H new ATOM 0 HB2 LYS A 32 4.243 2.838 -6.775 1.00 62.32 H new ATOM 0 HB3 LYS A 32 4.465 1.254 -6.059 1.00 62.32 H new ATOM 0 HG2 LYS A 32 3.506 0.138 -7.902 1.00 61.41 H new ATOM 0 HG3 LYS A 32 2.675 1.573 -8.469 1.00 61.41 H new ATOM 0 HD2 LYS A 32 4.426 1.557 -9.968 1.00 65.45 H new ATOM 0 HD3 LYS A 32 5.159 2.524 -8.704 1.00 65.45 H new ATOM 0 HE2 LYS A 32 6.541 0.793 -7.974 1.00 40.23 H new ATOM 0 HE3 LYS A 32 5.450 -0.462 -8.528 1.00 40.23 H new ATOM 0 HZ1 LYS A 32 7.422 -0.343 -9.905 1.00 55.22 H new ATOM 0 HZ2 LYS A 32 6.051 0.066 -10.820 1.00 55.22 H new ATOM 0 HZ3 LYS A 32 7.108 1.282 -10.283 1.00 55.22 H new ATOM 459 N LEU A 33 1.384 -0.117 -5.533 1.00 52.13 N ATOM 460 CA LEU A 33 1.056 -1.345 -4.819 1.00 63.32 C ATOM 461 C LEU A 33 1.041 -2.540 -5.766 1.00 52.33 C ATOM 462 O LEU A 33 0.474 -2.473 -6.856 1.00 15.41 O ATOM 463 CB LEU A 33 -0.304 -1.209 -4.129 1.00 52.50 C ATOM 464 CG LEU A 33 -1.067 -2.513 -3.889 1.00 22.15 C ATOM 465 CD1 LEU A 33 -0.293 -3.416 -2.940 1.00 74.42 C ATOM 466 CD2 LEU A 33 -2.455 -2.223 -3.338 1.00 3.04 C ATOM 0 H LEU A 33 0.928 -0.023 -6.441 1.00 52.13 H new ATOM 0 HA LEU A 33 1.825 -1.513 -4.065 1.00 63.32 H new ATOM 0 HB2 LEU A 33 -0.154 -0.717 -3.168 1.00 52.50 H new ATOM 0 HB3 LEU A 33 -0.930 -0.550 -4.731 1.00 52.50 H new ATOM 0 HG LEU A 33 -1.176 -3.030 -4.842 1.00 22.15 H new ATOM 0 HD11 LEU A 33 -0.850 -4.339 -2.780 1.00 74.42 H new ATOM 0 HD12 LEU A 33 0.680 -3.650 -3.372 1.00 74.42 H new ATOM 0 HD13 LEU A 33 -0.153 -2.907 -1.986 1.00 74.42 H new ATOM 0 HD21 LEU A 33 -2.984 -3.161 -3.173 1.00 3.04 H new ATOM 0 HD22 LEU A 33 -2.367 -1.685 -2.394 1.00 3.04 H new ATOM 0 HD23 LEU A 33 -3.010 -1.614 -4.052 1.00 3.04 H new ATOM 477 N ASN A 34 1.667 -3.632 -5.342 1.00 3.44 N ATOM 478 CA ASN A 34 1.726 -4.844 -6.152 1.00 64.53 C ATOM 479 C ASN A 34 0.992 -5.993 -5.466 1.00 61.32 C ATOM 480 O ASN A 34 1.329 -6.381 -4.348 1.00 31.33 O ATOM 481 CB ASN A 34 3.180 -5.238 -6.414 1.00 52.33 C ATOM 482 CG ASN A 34 3.308 -6.648 -6.960 1.00 11.14 C ATOM 483 OD1 ASN A 34 3.736 -7.561 -6.254 1.00 45.32 O ATOM 484 ND2 ASN A 34 2.937 -6.830 -8.221 1.00 64.52 N ATOM 0 H ASN A 34 2.141 -3.703 -4.442 1.00 3.44 H new ATOM 0 HA ASN A 34 1.235 -4.639 -7.104 1.00 64.53 H new ATOM 0 HB2 ASN A 34 3.622 -4.536 -7.121 1.00 52.33 H new ATOM 0 HB3 ASN A 34 3.748 -5.157 -5.487 1.00 52.33 H new ATOM 0 HD21 ASN A 34 3.001 -7.757 -8.643 1.00 64.52 H new ATOM 0 HD22 ASN A 34 2.588 -6.043 -8.769 1.00 64.52 H new ATOM 490 N THR A 35 -0.015 -6.534 -6.146 1.00 2.31 N ATOM 491 CA THR A 35 -0.797 -7.638 -5.604 1.00 4.13 C ATOM 492 C THR A 35 -1.102 -8.676 -6.677 1.00 22.14 C ATOM 493 O THR A 35 -0.712 -8.519 -7.834 1.00 62.23 O ATOM 494 CB THR A 35 -2.123 -7.142 -4.994 1.00 13.05 C ATOM 495 OG1 THR A 35 -3.096 -6.952 -6.027 1.00 63.22 O ATOM 496 CG2 THR A 35 -1.916 -5.836 -4.241 1.00 1.45 C ATOM 0 H THR A 35 -0.308 -6.225 -7.073 1.00 2.31 H new ATOM 0 HA THR A 35 -0.194 -8.096 -4.820 1.00 4.13 H new ATOM 0 HB THR A 35 -2.480 -7.896 -4.293 1.00 13.05 H new ATOM 0 HG1 THR A 35 -3.869 -7.531 -5.859 1.00 63.22 H new ATOM 0 HG21 THR A 35 -2.865 -5.505 -3.819 1.00 1.45 H new ATOM 0 HG22 THR A 35 -1.196 -5.989 -3.438 1.00 1.45 H new ATOM 0 HG23 THR A 35 -1.539 -5.077 -4.926 1.00 1.45 H new ATOM 504 N GLY A 36 -1.802 -9.736 -6.286 1.00 22.11 N ATOM 505 CA GLY A 36 -2.148 -10.784 -7.229 1.00 45.24 C ATOM 506 C GLY A 36 -0.978 -11.699 -7.531 1.00 45.45 C ATOM 507 O GLY A 36 -0.317 -12.196 -6.621 1.00 10.25 O ATOM 0 H GLY A 36 -2.136 -9.888 -5.334 1.00 22.11 H new ATOM 0 HA2 GLY A 36 -2.972 -11.373 -6.827 1.00 45.24 H new ATOM 0 HA3 GLY A 36 -2.501 -10.333 -8.156 1.00 45.24 H new ATOM 511 N ARG A 37 -0.724 -11.927 -8.817 1.00 5.12 N ATOM 512 CA ARG A 37 0.371 -12.792 -9.237 1.00 73.23 C ATOM 513 C ARG A 37 1.461 -11.987 -9.938 1.00 35.35 C ATOM 514 O ARG A 37 2.650 -12.267 -9.786 1.00 40.30 O ATOM 515 CB ARG A 37 -0.146 -13.888 -10.170 1.00 42.52 C ATOM 516 CG ARG A 37 -1.062 -14.890 -9.484 1.00 40.33 C ATOM 517 CD ARG A 37 -0.354 -15.596 -8.339 1.00 25.34 C ATOM 518 NE ARG A 37 -1.032 -16.832 -7.956 1.00 62.23 N ATOM 519 CZ ARG A 37 -0.966 -17.955 -8.662 1.00 75.45 C ATOM 520 NH1 ARG A 37 -0.258 -17.998 -9.782 1.00 42.31 N ATOM 521 NH2 ARG A 37 -1.610 -19.039 -8.250 1.00 1.13 N ATOM 0 H ARG A 37 -1.262 -11.524 -9.584 1.00 5.12 H new ATOM 0 HA ARG A 37 0.798 -13.253 -8.347 1.00 73.23 H new ATOM 0 HB2 ARG A 37 -0.683 -13.425 -10.998 1.00 42.52 H new ATOM 0 HB3 ARG A 37 0.704 -14.419 -10.599 1.00 42.52 H new ATOM 0 HG2 ARG A 37 -1.946 -14.377 -9.106 1.00 40.33 H new ATOM 0 HG3 ARG A 37 -1.407 -15.626 -10.210 1.00 40.33 H new ATOM 0 HD2 ARG A 37 0.672 -15.821 -8.630 1.00 25.34 H new ATOM 0 HD3 ARG A 37 -0.302 -14.929 -7.478 1.00 25.34 H new ATOM 0 HE ARG A 37 -1.586 -16.833 -7.100 1.00 62.23 H new ATOM 0 HH11 ARG A 37 0.238 -17.167 -10.104 1.00 42.31 H new ATOM 0 HH12 ARG A 37 -0.209 -18.862 -10.322 1.00 42.31 H new ATOM 0 HH21 ARG A 37 -2.157 -19.011 -7.390 1.00 1.13 H new ATOM 0 HH22 ARG A 37 -1.558 -19.901 -8.794 1.00 1.13 H new ATOM 532 N THR A 38 1.048 -10.983 -10.705 1.00 73.33 N ATOM 533 CA THR A 38 1.988 -10.137 -11.430 1.00 53.11 C ATOM 534 C THR A 38 1.256 -9.116 -12.294 1.00 22.44 C ATOM 535 O THR A 38 1.764 -8.022 -12.541 1.00 23.23 O ATOM 536 CB THR A 38 2.921 -10.975 -12.327 1.00 25.35 C ATOM 537 OG1 THR A 38 3.695 -10.113 -13.169 1.00 20.32 O ATOM 538 CG2 THR A 38 2.122 -11.946 -13.182 1.00 50.20 C ATOM 0 H THR A 38 0.068 -10.736 -10.840 1.00 73.33 H new ATOM 0 HA THR A 38 2.585 -9.615 -10.682 1.00 53.11 H new ATOM 0 HB THR A 38 3.589 -11.548 -11.684 1.00 25.35 H new ATOM 0 HG1 THR A 38 4.286 -10.653 -13.735 1.00 20.32 H new ATOM 0 HG21 THR A 38 2.802 -12.526 -13.806 1.00 50.20 H new ATOM 0 HG22 THR A 38 1.558 -12.620 -12.537 1.00 50.20 H new ATOM 0 HG23 THR A 38 1.432 -11.389 -13.817 1.00 50.20 H new ATOM 546 N GLU A 39 0.061 -9.480 -12.749 1.00 14.42 N ATOM 547 CA GLU A 39 -0.739 -8.593 -13.585 1.00 4.41 C ATOM 548 C GLU A 39 -1.856 -7.943 -12.774 1.00 62.22 C ATOM 549 O GLU A 39 -2.946 -7.693 -13.289 1.00 41.51 O ATOM 550 CB GLU A 39 -1.333 -9.367 -14.765 1.00 43.33 C ATOM 551 CG GLU A 39 -1.902 -10.723 -14.380 1.00 32.03 C ATOM 552 CD GLU A 39 -2.512 -11.455 -15.558 1.00 4.41 C ATOM 553 OE1 GLU A 39 -1.750 -11.862 -16.461 1.00 31.30 O ATOM 554 OE2 GLU A 39 -3.748 -11.622 -15.578 1.00 11.10 O ATOM 0 H GLU A 39 -0.374 -10.382 -12.553 1.00 14.42 H new ATOM 0 HA GLU A 39 -0.087 -7.808 -13.967 1.00 4.41 H new ATOM 0 HB2 GLU A 39 -2.121 -8.768 -15.221 1.00 43.33 H new ATOM 0 HB3 GLU A 39 -0.561 -9.508 -15.522 1.00 43.33 H new ATOM 0 HG2 GLU A 39 -1.111 -11.335 -13.947 1.00 32.03 H new ATOM 0 HG3 GLU A 39 -2.660 -10.589 -13.608 1.00 32.03 H new ATOM 559 N ALA A 40 -1.577 -7.673 -11.504 1.00 53.33 N ATOM 560 CA ALA A 40 -2.555 -7.050 -10.622 1.00 23.30 C ATOM 561 C ALA A 40 -2.017 -5.752 -10.030 1.00 50.32 C ATOM 562 O ALA A 40 -2.737 -5.022 -9.353 1.00 22.23 O ATOM 563 CB ALA A 40 -2.954 -8.013 -9.513 1.00 42.11 C ATOM 0 H ALA A 40 -0.680 -7.876 -11.062 1.00 53.33 H new ATOM 0 HA ALA A 40 -3.437 -6.808 -11.214 1.00 23.30 H new ATOM 0 HB1 ALA A 40 -3.685 -7.535 -8.861 1.00 42.11 H new ATOM 0 HB2 ALA A 40 -3.390 -8.911 -9.950 1.00 42.11 H new ATOM 0 HB3 ALA A 40 -2.073 -8.284 -8.932 1.00 42.11 H new ATOM 569 N TRP A 41 -0.744 -5.474 -10.291 1.00 43.13 N ATOM 570 CA TRP A 41 -0.108 -4.265 -9.782 1.00 55.24 C ATOM 571 C TRP A 41 -0.827 -3.017 -10.286 1.00 40.43 C ATOM 572 O TRP A 41 -1.121 -2.897 -11.475 1.00 34.11 O ATOM 573 CB TRP A 41 1.363 -4.223 -10.200 1.00 40.35 C ATOM 574 CG TRP A 41 1.595 -3.496 -11.490 1.00 41.30 C ATOM 575 CD1 TRP A 41 2.125 -2.247 -11.643 1.00 3.12 C ATOM 576 CD2 TRP A 41 1.301 -3.973 -12.808 1.00 24.04 C ATOM 577 NE1 TRP A 41 2.177 -1.918 -12.976 1.00 13.11 N ATOM 578 CE2 TRP A 41 1.680 -2.961 -13.711 1.00 63.35 C ATOM 579 CE3 TRP A 41 0.756 -5.157 -13.312 1.00 1.23 C ATOM 580 CZ2 TRP A 41 1.529 -3.099 -15.087 1.00 54.13 C ATOM 581 CZ3 TRP A 41 0.608 -5.292 -14.679 1.00 43.21 C ATOM 582 CH2 TRP A 41 0.994 -4.269 -15.555 1.00 60.41 C ATOM 0 H TRP A 41 -0.133 -6.069 -10.851 1.00 43.13 H new ATOM 0 HA TRP A 41 -0.170 -4.283 -8.694 1.00 55.24 H new ATOM 0 HB2 TRP A 41 1.943 -3.743 -9.412 1.00 40.35 H new ATOM 0 HB3 TRP A 41 1.735 -5.243 -10.294 1.00 40.35 H new ATOM 0 HD1 TRP A 41 2.455 -1.611 -10.835 1.00 3.12 H new ATOM 0 HE1 TRP A 41 2.529 -1.039 -13.356 1.00 13.11 H new ATOM 0 HE3 TRP A 41 0.456 -5.952 -12.645 1.00 1.23 H new ATOM 0 HZ2 TRP A 41 1.824 -2.310 -15.763 1.00 54.13 H new ATOM 0 HZ3 TRP A 41 0.187 -6.202 -15.080 1.00 43.21 H new ATOM 0 HH2 TRP A 41 0.867 -4.406 -16.619 1.00 60.41 H new ATOM 592 N LYS A 42 -1.107 -2.092 -9.374 1.00 23.32 N ATOM 593 CA LYS A 42 -1.790 -0.854 -9.726 1.00 64.33 C ATOM 594 C LYS A 42 -1.043 0.356 -9.175 1.00 25.13 C ATOM 595 O LYS A 42 -0.264 0.238 -8.229 1.00 52.43 O ATOM 596 CB LYS A 42 -3.225 -0.869 -9.190 1.00 11.15 C ATOM 597 CG LYS A 42 -3.329 -1.313 -7.742 1.00 12.43 C ATOM 598 CD LYS A 42 -3.516 -2.816 -7.631 1.00 42.43 C ATOM 599 CE LYS A 42 -3.961 -3.221 -6.234 1.00 43.15 C ATOM 600 NZ LYS A 42 -4.711 -4.508 -6.242 1.00 62.31 N ATOM 0 H LYS A 42 -0.871 -2.177 -8.385 1.00 23.32 H new ATOM 0 HA LYS A 42 -1.815 -0.779 -10.813 1.00 64.33 H new ATOM 0 HB2 LYS A 42 -3.650 0.130 -9.286 1.00 11.15 H new ATOM 0 HB3 LYS A 42 -3.828 -1.533 -9.809 1.00 11.15 H new ATOM 0 HG2 LYS A 42 -2.428 -1.017 -7.204 1.00 12.43 H new ATOM 0 HG3 LYS A 42 -4.167 -0.805 -7.264 1.00 12.43 H new ATOM 0 HD2 LYS A 42 -4.256 -3.146 -8.360 1.00 42.43 H new ATOM 0 HD3 LYS A 42 -2.581 -3.319 -7.876 1.00 42.43 H new ATOM 0 HE2 LYS A 42 -3.088 -3.313 -5.587 1.00 43.15 H new ATOM 0 HE3 LYS A 42 -4.589 -2.437 -5.811 1.00 43.15 H new ATOM 0 HZ1 LYS A 42 -5.354 -4.540 -5.425 1.00 62.31 H new ATOM 0 HZ2 LYS A 42 -5.263 -4.583 -7.120 1.00 62.31 H new ATOM 0 HZ3 LYS A 42 -4.040 -5.301 -6.186 1.00 62.31 H new ATOM 610 N VAL A 43 -1.288 1.519 -9.770 1.00 13.42 N ATOM 611 CA VAL A 43 -0.639 2.750 -9.337 1.00 64.43 C ATOM 612 C VAL A 43 -1.573 3.585 -8.466 1.00 11.11 C ATOM 613 O VAL A 43 -2.651 3.990 -8.903 1.00 22.13 O ATOM 614 CB VAL A 43 -0.183 3.597 -10.539 1.00 55.12 C ATOM 615 CG1 VAL A 43 0.599 4.815 -10.069 1.00 72.21 C ATOM 616 CG2 VAL A 43 0.650 2.757 -11.496 1.00 72.25 C ATOM 0 H VAL A 43 -1.931 1.634 -10.553 1.00 13.42 H new ATOM 0 HA VAL A 43 0.235 2.460 -8.755 1.00 64.43 H new ATOM 0 HB VAL A 43 -1.068 3.946 -11.072 1.00 55.12 H new ATOM 0 HG11 VAL A 43 0.913 5.401 -10.933 1.00 72.21 H new ATOM 0 HG12 VAL A 43 -0.033 5.427 -9.425 1.00 72.21 H new ATOM 0 HG13 VAL A 43 1.478 4.490 -9.512 1.00 72.21 H new ATOM 0 HG21 VAL A 43 0.964 3.371 -12.340 1.00 72.25 H new ATOM 0 HG22 VAL A 43 1.530 2.378 -10.976 1.00 72.25 H new ATOM 0 HG23 VAL A 43 0.054 1.920 -11.859 1.00 72.25 H new ATOM 626 N LEU A 44 -1.150 3.841 -7.232 1.00 62.32 N ATOM 627 CA LEU A 44 -1.946 4.628 -6.299 1.00 22.33 C ATOM 628 C LEU A 44 -1.503 6.088 -6.301 1.00 21.13 C ATOM 629 O LEU A 44 -0.326 6.389 -6.505 1.00 44.22 O ATOM 630 CB LEU A 44 -1.834 4.050 -4.886 1.00 54.14 C ATOM 631 CG LEU A 44 -2.884 3.008 -4.503 1.00 2.20 C ATOM 632 CD1 LEU A 44 -2.244 1.869 -3.725 1.00 5.33 C ATOM 633 CD2 LEU A 44 -4.000 3.649 -3.693 1.00 22.43 C ATOM 0 H LEU A 44 -0.260 3.514 -6.856 1.00 62.32 H new ATOM 0 HA LEU A 44 -2.986 4.583 -6.621 1.00 22.33 H new ATOM 0 HB2 LEU A 44 -0.847 3.600 -4.776 1.00 54.14 H new ATOM 0 HB3 LEU A 44 -1.890 4.872 -4.173 1.00 54.14 H new ATOM 0 HG LEU A 44 -3.315 2.600 -5.417 1.00 2.20 H new ATOM 0 HD11 LEU A 44 -3.006 1.136 -3.460 1.00 5.33 H new ATOM 0 HD12 LEU A 44 -1.480 1.393 -4.340 1.00 5.33 H new ATOM 0 HD13 LEU A 44 -1.786 2.261 -2.817 1.00 5.33 H new ATOM 0 HD21 LEU A 44 -4.739 2.892 -3.429 1.00 22.43 H new ATOM 0 HD22 LEU A 44 -3.586 4.084 -2.784 1.00 22.43 H new ATOM 0 HD23 LEU A 44 -4.477 4.430 -4.285 1.00 22.43 H new ATOM 644 N SER A 45 -2.451 6.989 -6.069 1.00 35.34 N ATOM 645 CA SER A 45 -2.158 8.419 -6.045 1.00 5.50 C ATOM 646 C SER A 45 -2.598 9.041 -4.724 1.00 41.12 C ATOM 647 O SER A 45 -3.480 8.533 -4.032 1.00 63.20 O ATOM 648 CB SER A 45 -2.854 9.123 -7.211 1.00 54.32 C ATOM 649 OG SER A 45 -4.137 8.569 -7.450 1.00 12.41 O ATOM 0 H SER A 45 -3.429 6.756 -5.895 1.00 35.34 H new ATOM 0 HA SER A 45 -1.080 8.546 -6.145 1.00 5.50 H new ATOM 0 HB2 SER A 45 -2.949 10.187 -6.993 1.00 54.32 H new ATOM 0 HB3 SER A 45 -2.243 9.035 -8.110 1.00 54.32 H new ATOM 0 HG SER A 45 -4.561 9.038 -8.199 1.00 12.41 H new ATOM 654 N PRO A 46 -1.968 10.169 -4.364 1.00 5.24 N ATOM 655 CA PRO A 46 -2.278 10.887 -3.124 1.00 13.41 C ATOM 656 C PRO A 46 -3.649 11.550 -3.165 1.00 14.21 C ATOM 657 O PRO A 46 -4.071 12.187 -2.199 1.00 41.30 O ATOM 658 CB PRO A 46 -1.173 11.945 -3.041 1.00 64.02 C ATOM 659 CG PRO A 46 -0.749 12.159 -4.453 1.00 31.43 C ATOM 660 CD PRO A 46 -0.905 10.831 -5.140 1.00 41.42 C ATOM 0 HA PRO A 46 -2.312 10.219 -2.264 1.00 13.41 H new ATOM 0 HB2 PRO A 46 -1.541 12.868 -2.594 1.00 64.02 H new ATOM 0 HB3 PRO A 46 -0.342 11.602 -2.425 1.00 64.02 H new ATOM 0 HG2 PRO A 46 -1.363 12.921 -4.933 1.00 31.43 H new ATOM 0 HG3 PRO A 46 0.284 12.504 -4.502 1.00 31.43 H new ATOM 0 HD2 PRO A 46 -1.186 10.950 -6.186 1.00 41.42 H new ATOM 0 HD3 PRO A 46 0.022 10.258 -5.122 1.00 41.42 H new ATOM 665 N GLN A 47 -4.342 11.398 -4.289 1.00 42.15 N ATOM 666 CA GLN A 47 -5.667 11.983 -4.455 1.00 74.15 C ATOM 667 C GLN A 47 -6.613 11.004 -5.142 1.00 3.33 C ATOM 668 O GLN A 47 -6.915 11.144 -6.326 1.00 44.34 O ATOM 669 CB GLN A 47 -5.578 13.278 -5.266 1.00 5.21 C ATOM 670 CG GLN A 47 -5.631 14.535 -4.412 1.00 44.55 C ATOM 671 CD GLN A 47 -7.031 15.110 -4.308 1.00 15.30 C ATOM 672 OE1 GLN A 47 -7.267 16.264 -4.666 1.00 61.14 O ATOM 673 NE2 GLN A 47 -7.967 14.307 -3.819 1.00 10.15 N ATOM 0 H GLN A 47 -4.008 10.875 -5.098 1.00 42.15 H new ATOM 0 HA GLN A 47 -6.063 12.208 -3.465 1.00 74.15 H new ATOM 0 HB2 GLN A 47 -4.650 13.276 -5.838 1.00 5.21 H new ATOM 0 HB3 GLN A 47 -6.396 13.303 -5.986 1.00 5.21 H new ATOM 0 HG2 GLN A 47 -5.261 14.307 -3.413 1.00 44.55 H new ATOM 0 HG3 GLN A 47 -4.964 15.286 -4.835 1.00 44.55 H new ATOM 0 HE21 GLN A 47 -7.727 13.357 -3.535 1.00 10.15 H new ATOM 0 HE22 GLN A 47 -8.927 14.639 -3.728 1.00 10.15 H new ATOM 680 N GLY A 48 -7.077 10.010 -4.390 1.00 22.45 N ATOM 681 CA GLY A 48 -7.983 9.021 -4.943 1.00 64.52 C ATOM 682 C GLY A 48 -7.265 7.982 -5.782 1.00 3.43 C ATOM 683 O GLY A 48 -7.354 7.995 -7.008 1.00 63.13 O ATOM 0 H GLY A 48 -6.841 9.872 -3.407 1.00 22.45 H new ATOM 0 HA2 GLY A 48 -8.513 8.524 -4.131 1.00 64.52 H new ATOM 0 HA3 GLY A 48 -8.734 9.522 -5.554 1.00 64.52 H new ATOM 687 N GLY A 49 -6.550 7.079 -5.118 1.00 1.12 N ATOM 688 CA GLY A 49 -5.822 6.041 -5.826 1.00 22.54 C ATOM 689 C GLY A 49 -6.729 4.931 -6.318 1.00 70.22 C ATOM 690 O GLY A 49 -6.544 3.767 -5.965 1.00 63.22 O ATOM 0 H GLY A 49 -6.462 7.047 -4.102 1.00 1.12 H new ATOM 0 HA2 GLY A 49 -5.299 6.482 -6.675 1.00 22.54 H new ATOM 0 HA3 GLY A 49 -5.062 5.620 -5.167 1.00 22.54 H new ATOM 694 N GLY A 50 -7.716 5.291 -7.135 1.00 15.42 N ATOM 695 CA GLY A 50 -8.640 4.305 -7.661 1.00 72.01 C ATOM 696 C GLY A 50 -9.891 4.173 -6.815 1.00 1.12 C ATOM 697 O GLY A 50 -10.063 4.865 -5.812 1.00 15.44 O ATOM 0 H GLY A 50 -7.891 6.248 -7.441 1.00 15.42 H new ATOM 0 HA2 GLY A 50 -8.920 4.580 -8.678 1.00 72.01 H new ATOM 0 HA3 GLY A 50 -8.140 3.338 -7.719 1.00 72.01 H new ATOM 701 N PRO A 51 -10.792 3.267 -7.221 1.00 15.42 N ATOM 702 CA PRO A 51 -12.049 3.026 -6.507 1.00 74.13 C ATOM 703 C PRO A 51 -11.830 2.349 -5.159 1.00 44.33 C ATOM 704 O PRO A 51 -11.535 1.156 -5.095 1.00 3.52 O ATOM 705 CB PRO A 51 -12.822 2.101 -7.451 1.00 2.34 C ATOM 706 CG PRO A 51 -11.770 1.413 -8.251 1.00 33.50 C ATOM 707 CD PRO A 51 -10.652 2.406 -8.407 1.00 61.54 C ATOM 0 HA PRO A 51 -12.571 3.955 -6.276 1.00 74.13 H new ATOM 0 HB2 PRO A 51 -13.429 1.386 -6.896 1.00 2.34 H new ATOM 0 HB3 PRO A 51 -13.500 2.665 -8.091 1.00 2.34 H new ATOM 0 HG2 PRO A 51 -11.423 0.511 -7.746 1.00 33.50 H new ATOM 0 HG3 PRO A 51 -12.157 1.106 -9.222 1.00 33.50 H new ATOM 0 HD2 PRO A 51 -9.679 1.915 -8.434 1.00 61.54 H new ATOM 0 HD3 PRO A 51 -10.747 2.976 -9.331 1.00 61.54 H new ATOM 712 N TRP A 52 -11.977 3.117 -4.086 1.00 64.32 N ATOM 713 CA TRP A 52 -11.795 2.589 -2.738 1.00 71.11 C ATOM 714 C TRP A 52 -12.692 1.378 -2.502 1.00 24.24 C ATOM 715 O TRP A 52 -12.315 0.445 -1.793 1.00 63.21 O ATOM 716 CB TRP A 52 -12.096 3.671 -1.699 1.00 54.24 C ATOM 717 CG TRP A 52 -13.366 4.420 -1.972 1.00 1.45 C ATOM 718 CD1 TRP A 52 -14.633 4.034 -1.640 1.00 12.41 C ATOM 719 CD2 TRP A 52 -13.489 5.683 -2.634 1.00 62.55 C ATOM 720 NE1 TRP A 52 -15.537 4.980 -2.057 1.00 23.53 N ATOM 721 CE2 TRP A 52 -14.861 6.002 -2.668 1.00 54.00 C ATOM 722 CE3 TRP A 52 -12.576 6.577 -3.200 1.00 10.00 C ATOM 723 CZ2 TRP A 52 -15.338 7.175 -3.246 1.00 62.13 C ATOM 724 CZ3 TRP A 52 -13.052 7.740 -3.775 1.00 0.03 C ATOM 725 CH2 TRP A 52 -14.421 8.032 -3.794 1.00 24.31 C ATOM 0 H TRP A 52 -12.221 4.107 -4.122 1.00 64.32 H new ATOM 0 HA TRP A 52 -10.756 2.275 -2.635 1.00 71.11 H new ATOM 0 HB2 TRP A 52 -12.159 3.210 -0.713 1.00 54.24 H new ATOM 0 HB3 TRP A 52 -11.266 4.377 -1.669 1.00 54.24 H new ATOM 0 HD1 TRP A 52 -14.887 3.119 -1.125 1.00 12.41 H new ATOM 0 HE1 TRP A 52 -16.548 4.929 -1.932 1.00 23.53 H new ATOM 0 HE3 TRP A 52 -11.518 6.363 -3.188 1.00 10.00 H new ATOM 0 HZ2 TRP A 52 -16.394 7.401 -3.262 1.00 62.13 H new ATOM 0 HZ3 TRP A 52 -12.355 8.436 -4.218 1.00 0.03 H new ATOM 0 HH2 TRP A 52 -14.760 8.951 -4.249 1.00 24.31 H new ATOM 735 N ASP A 53 -13.878 1.400 -3.100 1.00 11.32 N ATOM 736 CA ASP A 53 -14.828 0.302 -2.956 1.00 34.32 C ATOM 737 C ASP A 53 -14.301 -0.963 -3.623 1.00 55.52 C ATOM 738 O ASP A 53 -14.659 -2.076 -3.237 1.00 22.30 O ATOM 739 CB ASP A 53 -16.180 0.687 -3.557 1.00 53.22 C ATOM 740 CG ASP A 53 -16.246 0.427 -5.049 1.00 54.54 C ATOM 741 OD1 ASP A 53 -16.426 -0.747 -5.438 1.00 54.31 O ATOM 742 OD2 ASP A 53 -16.115 1.395 -5.827 1.00 4.41 O ATOM 0 H ASP A 53 -14.205 2.166 -3.689 1.00 11.32 H new ATOM 0 HA ASP A 53 -14.957 0.102 -1.892 1.00 34.32 H new ATOM 0 HB2 ASP A 53 -16.969 0.125 -3.058 1.00 53.22 H new ATOM 0 HB3 ASP A 53 -16.371 1.743 -3.366 1.00 53.22 H new ATOM 746 N SER A 54 -13.450 -0.785 -4.629 1.00 72.22 N ATOM 747 CA SER A 54 -12.878 -1.913 -5.355 1.00 41.44 C ATOM 748 C SER A 54 -11.551 -2.341 -4.735 1.00 43.33 C ATOM 749 O SER A 54 -11.286 -3.532 -4.570 1.00 1.53 O ATOM 750 CB SER A 54 -12.672 -1.549 -6.827 1.00 14.22 C ATOM 751 OG SER A 54 -13.468 -2.362 -7.671 1.00 24.03 O ATOM 0 H SER A 54 -13.142 0.129 -4.960 1.00 72.22 H new ATOM 0 HA SER A 54 -13.576 -2.747 -5.289 1.00 41.44 H new ATOM 0 HB2 SER A 54 -12.924 -0.500 -6.984 1.00 14.22 H new ATOM 0 HB3 SER A 54 -11.621 -1.667 -7.090 1.00 14.22 H new ATOM 0 HG SER A 54 -13.319 -2.108 -8.606 1.00 24.03 H new ATOM 756 N VAL A 55 -10.721 -1.361 -4.394 1.00 21.34 N ATOM 757 CA VAL A 55 -9.422 -1.635 -3.791 1.00 20.44 C ATOM 758 C VAL A 55 -9.252 -0.872 -2.481 1.00 44.21 C ATOM 759 O VAL A 55 -9.718 -1.312 -1.431 1.00 22.13 O ATOM 760 CB VAL A 55 -8.270 -1.259 -4.743 1.00 23.30 C ATOM 761 CG1 VAL A 55 -7.905 -2.440 -5.630 1.00 30.22 C ATOM 762 CG2 VAL A 55 -8.648 -0.048 -5.582 1.00 24.14 C ATOM 0 H VAL A 55 -10.925 -0.370 -4.525 1.00 21.34 H new ATOM 0 HA VAL A 55 -9.385 -2.706 -3.593 1.00 20.44 H new ATOM 0 HB VAL A 55 -7.396 -1.000 -4.146 1.00 23.30 H new ATOM 0 HG11 VAL A 55 -7.090 -2.157 -6.296 1.00 30.22 H new ATOM 0 HG12 VAL A 55 -7.591 -3.279 -5.008 1.00 30.22 H new ATOM 0 HG13 VAL A 55 -8.772 -2.732 -6.222 1.00 30.22 H new ATOM 0 HG21 VAL A 55 -7.824 0.204 -6.249 1.00 24.14 H new ATOM 0 HG22 VAL A 55 -9.535 -0.277 -6.172 1.00 24.14 H new ATOM 0 HG23 VAL A 55 -8.857 0.798 -4.927 1.00 24.14 H new ATOM 772 N ALA A 56 -8.582 0.273 -2.552 1.00 74.25 N ATOM 773 CA ALA A 56 -8.353 1.099 -1.373 1.00 5.53 C ATOM 774 C ALA A 56 -8.219 2.570 -1.750 1.00 3.33 C ATOM 775 O ALA A 56 -8.193 2.917 -2.930 1.00 33.34 O ATOM 776 CB ALA A 56 -7.110 0.626 -0.632 1.00 23.31 C ATOM 0 H ALA A 56 -8.188 0.650 -3.414 1.00 74.25 H new ATOM 0 HA ALA A 56 -9.216 0.998 -0.715 1.00 5.53 H new ATOM 0 HB1 ALA A 56 -6.950 1.251 0.246 1.00 23.31 H new ATOM 0 HB2 ALA A 56 -7.244 -0.410 -0.321 1.00 23.31 H new ATOM 0 HB3 ALA A 56 -6.244 0.698 -1.291 1.00 23.31 H new ATOM 782 N ARG A 57 -8.137 3.429 -0.740 1.00 5.34 N ATOM 783 CA ARG A 57 -8.008 4.863 -0.965 1.00 70.22 C ATOM 784 C ARG A 57 -6.783 5.420 -0.247 1.00 23.03 C ATOM 785 O ARG A 57 -6.219 4.770 0.635 1.00 15.12 O ATOM 786 CB ARG A 57 -9.266 5.591 -0.488 1.00 75.34 C ATOM 787 CG ARG A 57 -10.061 4.816 0.549 1.00 63.40 C ATOM 788 CD ARG A 57 -9.272 4.636 1.837 1.00 73.14 C ATOM 789 NE ARG A 57 -9.876 5.355 2.954 1.00 22.32 N ATOM 790 CZ ARG A 57 -9.610 6.625 3.240 1.00 64.02 C ATOM 791 NH1 ARG A 57 -8.757 7.312 2.494 1.00 1.00 N ATOM 792 NH2 ARG A 57 -10.200 7.211 4.275 1.00 23.51 N ATOM 0 H ARG A 57 -8.158 3.157 0.243 1.00 5.34 H new ATOM 0 HA ARG A 57 -7.885 5.026 -2.036 1.00 70.22 H new ATOM 0 HB2 ARG A 57 -8.980 6.555 -0.068 1.00 75.34 H new ATOM 0 HB3 ARG A 57 -9.906 5.794 -1.347 1.00 75.34 H new ATOM 0 HG2 ARG A 57 -10.992 5.341 0.762 1.00 63.40 H new ATOM 0 HG3 ARG A 57 -10.331 3.839 0.147 1.00 63.40 H new ATOM 0 HD2 ARG A 57 -9.211 3.575 2.079 1.00 73.14 H new ATOM 0 HD3 ARG A 57 -8.251 4.988 1.689 1.00 73.14 H new ATOM 0 HE ARG A 57 -10.538 4.855 3.547 1.00 22.32 H new ATOM 0 HH11 ARG A 57 -8.302 6.866 1.697 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -8.555 8.287 2.716 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -10.858 6.686 4.851 1.00 23.51 H new ATOM 0 HH22 ARG A 57 -9.995 8.186 4.494 1.00 23.51 H new ATOM 803 N VAL A 58 -6.374 6.625 -0.629 1.00 12.12 N ATOM 804 CA VAL A 58 -5.216 7.269 -0.022 1.00 32.41 C ATOM 805 C VAL A 58 -5.641 8.405 0.902 1.00 32.12 C ATOM 806 O VAL A 58 -6.429 9.270 0.518 1.00 74.43 O ATOM 807 CB VAL A 58 -4.255 7.822 -1.092 1.00 24.35 C ATOM 808 CG1 VAL A 58 -3.225 8.745 -0.457 1.00 50.35 C ATOM 809 CG2 VAL A 58 -3.578 6.683 -1.837 1.00 53.41 C ATOM 0 H VAL A 58 -6.828 7.176 -1.357 1.00 12.12 H new ATOM 0 HA VAL A 58 -4.698 6.506 0.560 1.00 32.41 H new ATOM 0 HB VAL A 58 -4.832 8.403 -1.812 1.00 24.35 H new ATOM 0 HG11 VAL A 58 -2.554 9.126 -1.227 1.00 50.35 H new ATOM 0 HG12 VAL A 58 -3.733 9.579 0.027 1.00 50.35 H new ATOM 0 HG13 VAL A 58 -2.649 8.192 0.284 1.00 50.35 H new ATOM 0 HG21 VAL A 58 -2.903 7.091 -2.589 1.00 53.41 H new ATOM 0 HG22 VAL A 58 -3.012 6.074 -1.133 1.00 53.41 H new ATOM 0 HG23 VAL A 58 -4.334 6.067 -2.324 1.00 53.41 H new ATOM 819 N LEU A 59 -5.112 8.399 2.120 1.00 32.52 N ATOM 820 CA LEU A 59 -5.436 9.431 3.100 1.00 24.34 C ATOM 821 C LEU A 59 -4.827 10.771 2.700 1.00 12.03 C ATOM 822 O LEU A 59 -3.875 10.841 1.924 1.00 41.52 O ATOM 823 CB LEU A 59 -4.933 9.022 4.485 1.00 2.24 C ATOM 824 CG LEU A 59 -5.793 8.007 5.240 1.00 72.45 C ATOM 825 CD1 LEU A 59 -5.077 7.524 6.491 1.00 34.21 C ATOM 826 CD2 LEU A 59 -7.143 8.615 5.597 1.00 52.32 C ATOM 0 H LEU A 59 -4.457 7.692 2.453 1.00 32.52 H new ATOM 0 HA LEU A 59 -6.520 9.540 3.132 1.00 24.34 H new ATOM 0 HB2 LEU A 59 -3.930 8.609 4.378 1.00 2.24 H new ATOM 0 HB3 LEU A 59 -4.845 9.920 5.097 1.00 2.24 H new ATOM 0 HG LEU A 59 -5.962 7.148 4.590 1.00 72.45 H new ATOM 0 HD11 LEU A 59 -5.705 6.803 7.014 1.00 34.21 H new ATOM 0 HD12 LEU A 59 -4.136 7.050 6.212 1.00 34.21 H new ATOM 0 HD13 LEU A 59 -4.876 8.372 7.146 1.00 34.21 H new ATOM 0 HD21 LEU A 59 -7.743 7.880 6.134 1.00 52.32 H new ATOM 0 HD22 LEU A 59 -6.992 9.491 6.228 1.00 52.32 H new ATOM 0 HD23 LEU A 59 -7.662 8.910 4.685 1.00 52.32 H new ATOM 837 N PRO A 60 -5.387 11.862 3.246 1.00 52.53 N ATOM 838 CA PRO A 60 -4.913 13.220 2.962 1.00 41.11 C ATOM 839 C PRO A 60 -3.544 13.495 3.576 1.00 55.42 C ATOM 840 O PRO A 60 -2.826 14.391 3.134 1.00 34.13 O ATOM 841 CB PRO A 60 -5.978 14.109 3.609 1.00 3.22 C ATOM 842 CG PRO A 60 -6.571 13.267 4.688 1.00 53.31 C ATOM 843 CD PRO A 60 -6.524 11.853 4.180 1.00 45.03 C ATOM 0 HA PRO A 60 -4.786 13.393 1.893 1.00 41.11 H new ATOM 0 HB2 PRO A 60 -5.539 15.021 4.014 1.00 3.22 H new ATOM 0 HB3 PRO A 60 -6.733 14.413 2.884 1.00 3.22 H new ATOM 0 HG2 PRO A 60 -6.008 13.368 5.616 1.00 53.31 H new ATOM 0 HG3 PRO A 60 -7.596 13.571 4.902 1.00 53.31 H new ATOM 0 HD2 PRO A 60 -6.372 11.140 4.990 1.00 45.03 H new ATOM 0 HD3 PRO A 60 -7.452 11.575 3.680 1.00 45.03 H new ATOM 848 N ASN A 61 -3.190 12.720 4.596 1.00 41.14 N ATOM 849 CA ASN A 61 -1.907 12.881 5.269 1.00 34.33 C ATOM 850 C ASN A 61 -0.801 12.147 4.516 1.00 31.31 C ATOM 851 O ASN A 61 0.354 12.143 4.939 1.00 4.00 O ATOM 852 CB ASN A 61 -1.992 12.362 6.705 1.00 3.20 C ATOM 853 CG ASN A 61 -2.681 11.013 6.793 1.00 54.22 C ATOM 854 OD1 ASN A 61 -2.630 10.216 5.856 1.00 34.21 O ATOM 855 ND2 ASN A 61 -3.331 10.752 7.921 1.00 0.23 N ATOM 0 H ASN A 61 -3.774 11.974 4.974 1.00 41.14 H new ATOM 0 HA ASN A 61 -1.666 13.944 5.287 1.00 34.33 H new ATOM 0 HB2 ASN A 61 -0.987 12.281 7.119 1.00 3.20 H new ATOM 0 HB3 ASN A 61 -2.532 13.084 7.318 1.00 3.20 H new ATOM 0 HD21 ASN A 61 -3.814 9.861 8.037 1.00 0.23 H new ATOM 0 HD22 ASN A 61 -3.347 11.442 8.672 1.00 0.23 H new ATOM 861 N GLY A 62 -1.165 11.529 3.398 1.00 44.22 N ATOM 862 CA GLY A 62 -0.192 10.801 2.603 1.00 0.32 C ATOM 863 C GLY A 62 -0.077 9.346 3.016 1.00 73.34 C ATOM 864 O GLY A 62 0.972 8.726 2.844 1.00 20.52 O ATOM 0 H GLY A 62 -2.115 11.519 3.028 1.00 44.22 H new ATOM 0 HA2 GLY A 62 -0.473 10.856 1.551 1.00 0.32 H new ATOM 0 HA3 GLY A 62 0.782 11.281 2.698 1.00 0.32 H new ATOM 868 N SER A 63 -1.160 8.802 3.563 1.00 51.14 N ATOM 869 CA SER A 63 -1.175 7.413 4.006 1.00 12.31 C ATOM 870 C SER A 63 -2.094 6.571 3.127 1.00 44.13 C ATOM 871 O SER A 63 -2.692 7.073 2.175 1.00 55.21 O ATOM 872 CB SER A 63 -1.627 7.327 5.465 1.00 43.32 C ATOM 873 OG SER A 63 -0.615 7.792 6.341 1.00 11.23 O ATOM 0 H SER A 63 -2.037 9.302 3.710 1.00 51.14 H new ATOM 0 HA SER A 63 -0.162 7.020 3.922 1.00 12.31 H new ATOM 0 HB2 SER A 63 -2.532 7.918 5.604 1.00 43.32 H new ATOM 0 HB3 SER A 63 -1.879 6.295 5.711 1.00 43.32 H new ATOM 0 HG SER A 63 -1.014 8.031 7.204 1.00 11.23 H new ATOM 878 N LEU A 64 -2.202 5.287 3.452 1.00 34.14 N ATOM 879 CA LEU A 64 -3.048 4.374 2.691 1.00 20.14 C ATOM 880 C LEU A 64 -3.986 3.605 3.616 1.00 74.34 C ATOM 881 O LEU A 64 -3.557 3.028 4.615 1.00 74.15 O ATOM 882 CB LEU A 64 -2.185 3.395 1.892 1.00 3.21 C ATOM 883 CG LEU A 64 -2.919 2.202 1.279 1.00 54.44 C ATOM 884 CD1 LEU A 64 -3.959 2.674 0.273 1.00 1.41 C ATOM 885 CD2 LEU A 64 -1.931 1.251 0.619 1.00 62.10 C ATOM 0 H LEU A 64 -1.715 4.855 4.237 1.00 34.14 H new ATOM 0 HA LEU A 64 -3.651 4.964 2.001 1.00 20.14 H new ATOM 0 HB2 LEU A 64 -1.694 3.946 1.090 1.00 3.21 H new ATOM 0 HB3 LEU A 64 -1.400 3.016 2.546 1.00 3.21 H new ATOM 0 HG LEU A 64 -3.432 1.666 2.077 1.00 54.44 H new ATOM 0 HD11 LEU A 64 -4.471 1.811 -0.153 1.00 1.41 H new ATOM 0 HD12 LEU A 64 -4.684 3.316 0.773 1.00 1.41 H new ATOM 0 HD13 LEU A 64 -3.468 3.233 -0.523 1.00 1.41 H new ATOM 0 HD21 LEU A 64 -2.470 0.408 0.188 1.00 62.10 H new ATOM 0 HD22 LEU A 64 -1.390 1.777 -0.168 1.00 62.10 H new ATOM 0 HD23 LEU A 64 -1.224 0.887 1.364 1.00 62.10 H new ATOM 896 N PHE A 65 -5.271 3.601 3.276 1.00 55.24 N ATOM 897 CA PHE A 65 -6.271 2.903 4.074 1.00 63.21 C ATOM 898 C PHE A 65 -7.034 1.890 3.225 1.00 43.24 C ATOM 899 O PHE A 65 -7.466 2.193 2.113 1.00 35.23 O ATOM 900 CB PHE A 65 -7.248 3.903 4.695 1.00 63.24 C ATOM 901 CG PHE A 65 -8.297 3.259 5.558 1.00 31.35 C ATOM 902 CD1 PHE A 65 -9.443 2.722 4.994 1.00 3.35 C ATOM 903 CD2 PHE A 65 -8.137 3.194 6.932 1.00 35.44 C ATOM 904 CE1 PHE A 65 -10.408 2.129 5.785 1.00 70.00 C ATOM 905 CE2 PHE A 65 -9.099 2.603 7.728 1.00 42.12 C ATOM 906 CZ PHE A 65 -10.236 2.070 7.155 1.00 71.43 C ATOM 0 H PHE A 65 -5.644 4.074 2.453 1.00 55.24 H new ATOM 0 HA PHE A 65 -5.754 2.368 4.871 1.00 63.21 H new ATOM 0 HB2 PHE A 65 -6.688 4.622 5.293 1.00 63.24 H new ATOM 0 HB3 PHE A 65 -7.738 4.463 3.898 1.00 63.24 H new ATOM 0 HD1 PHE A 65 -9.583 2.768 3.924 1.00 3.35 H new ATOM 0 HD2 PHE A 65 -7.250 3.610 7.386 1.00 35.44 H new ATOM 0 HE1 PHE A 65 -11.296 1.712 5.333 1.00 70.00 H new ATOM 0 HE2 PHE A 65 -8.961 2.558 8.798 1.00 42.12 H new ATOM 0 HZ PHE A 65 -10.989 1.608 7.776 1.00 71.43 H new ATOM 915 N LEU A 66 -7.195 0.683 3.758 1.00 62.34 N ATOM 916 CA LEU A 66 -7.906 -0.377 3.050 1.00 31.12 C ATOM 917 C LEU A 66 -9.182 -0.764 3.789 1.00 22.31 C ATOM 918 O LEU A 66 -9.162 -1.130 4.965 1.00 44.34 O ATOM 919 CB LEU A 66 -7.004 -1.602 2.889 1.00 73.33 C ATOM 920 CG LEU A 66 -5.854 -1.463 1.891 1.00 21.15 C ATOM 921 CD1 LEU A 66 -4.779 -0.539 2.441 1.00 2.43 C ATOM 922 CD2 LEU A 66 -5.268 -2.827 1.559 1.00 23.41 C ATOM 0 H LEU A 66 -6.843 0.414 4.677 1.00 62.34 H new ATOM 0 HA LEU A 66 -8.180 -0.002 2.064 1.00 31.12 H new ATOM 0 HB2 LEU A 66 -6.584 -1.850 3.864 1.00 73.33 H new ATOM 0 HB3 LEU A 66 -7.623 -2.446 2.584 1.00 73.33 H new ATOM 0 HG LEU A 66 -6.246 -1.025 0.973 1.00 21.15 H new ATOM 0 HD11 LEU A 66 -3.969 -0.452 1.717 1.00 2.43 H new ATOM 0 HD12 LEU A 66 -5.206 0.446 2.627 1.00 2.43 H new ATOM 0 HD13 LEU A 66 -4.390 -0.948 3.374 1.00 2.43 H new ATOM 0 HD21 LEU A 66 -4.451 -2.709 0.847 1.00 23.41 H new ATOM 0 HD22 LEU A 66 -4.891 -3.293 2.470 1.00 23.41 H new ATOM 0 HD23 LEU A 66 -6.041 -3.459 1.122 1.00 23.41 H new ATOM 933 N PRO A 67 -10.322 -0.684 3.085 1.00 11.13 N ATOM 934 CA PRO A 67 -11.628 -1.025 3.652 1.00 23.43 C ATOM 935 C PRO A 67 -11.777 -2.520 3.910 1.00 44.34 C ATOM 936 O PRO A 67 -12.459 -2.935 4.846 1.00 31.15 O ATOM 937 CB PRO A 67 -12.614 -0.567 2.575 1.00 74.52 C ATOM 938 CG PRO A 67 -11.834 -0.606 1.306 1.00 5.31 C ATOM 939 CD PRO A 67 -10.420 -0.255 1.680 1.00 43.23 C ATOM 0 HA PRO A 67 -11.786 -0.553 4.622 1.00 23.43 H new ATOM 0 HB2 PRO A 67 -13.482 -1.225 2.527 1.00 74.52 H new ATOM 0 HB3 PRO A 67 -12.986 0.437 2.780 1.00 74.52 H new ATOM 0 HG2 PRO A 67 -11.883 -1.594 0.848 1.00 5.31 H new ATOM 0 HG3 PRO A 67 -12.233 0.102 0.580 1.00 5.31 H new ATOM 0 HD2 PRO A 67 -9.697 -0.774 1.050 1.00 43.23 H new ATOM 0 HD3 PRO A 67 -10.229 0.813 1.572 1.00 43.23 H new ATOM 944 N ALA A 68 -11.135 -3.327 3.071 1.00 75.01 N ATOM 945 CA ALA A 68 -11.193 -4.777 3.209 1.00 61.22 C ATOM 946 C ALA A 68 -10.163 -5.456 2.312 1.00 4.43 C ATOM 947 O ALA A 68 -10.356 -5.565 1.102 1.00 64.13 O ATOM 948 CB ALA A 68 -12.592 -5.282 2.885 1.00 53.41 C ATOM 0 H ALA A 68 -10.568 -3.001 2.288 1.00 75.01 H new ATOM 0 HA ALA A 68 -10.957 -5.028 4.243 1.00 61.22 H new ATOM 0 HB1 ALA A 68 -12.621 -6.366 2.992 1.00 53.41 H new ATOM 0 HB2 ALA A 68 -13.310 -4.830 3.570 1.00 53.41 H new ATOM 0 HB3 ALA A 68 -12.848 -5.011 1.861 1.00 53.41 H new ATOM 954 N VAL A 69 -9.069 -5.909 2.915 1.00 62.03 N ATOM 955 CA VAL A 69 -8.009 -6.579 2.171 1.00 40.44 C ATOM 956 C VAL A 69 -8.446 -7.967 1.719 1.00 52.13 C ATOM 957 O VAL A 69 -8.653 -8.862 2.539 1.00 41.31 O ATOM 958 CB VAL A 69 -6.726 -6.706 3.014 1.00 42.41 C ATOM 959 CG1 VAL A 69 -6.124 -5.334 3.283 1.00 64.22 C ATOM 960 CG2 VAL A 69 -7.015 -7.434 4.318 1.00 44.23 C ATOM 0 H VAL A 69 -8.893 -5.824 3.916 1.00 62.03 H new ATOM 0 HA VAL A 69 -7.801 -5.964 1.295 1.00 40.44 H new ATOM 0 HB VAL A 69 -5.999 -7.291 2.450 1.00 42.41 H new ATOM 0 HG11 VAL A 69 -5.219 -5.445 3.880 1.00 64.22 H new ATOM 0 HG12 VAL A 69 -5.878 -4.853 2.336 1.00 64.22 H new ATOM 0 HG13 VAL A 69 -6.844 -4.721 3.826 1.00 64.22 H new ATOM 0 HG21 VAL A 69 -6.097 -7.515 4.901 1.00 44.23 H new ATOM 0 HG22 VAL A 69 -7.759 -6.878 4.888 1.00 44.23 H new ATOM 0 HG23 VAL A 69 -7.396 -8.432 4.101 1.00 44.23 H new ATOM 970 N GLY A 70 -8.586 -8.141 0.409 1.00 55.51 N ATOM 971 CA GLY A 70 -8.998 -9.424 -0.131 1.00 32.52 C ATOM 972 C GLY A 70 -7.820 -10.310 -0.481 1.00 44.10 C ATOM 973 O GLY A 70 -6.712 -9.822 -0.708 1.00 55.23 O ATOM 0 H GLY A 70 -8.421 -7.416 -0.289 1.00 55.51 H new ATOM 0 HA2 GLY A 70 -9.630 -9.935 0.596 1.00 32.52 H new ATOM 0 HA3 GLY A 70 -9.604 -9.262 -1.022 1.00 32.52 H new ATOM 977 N ILE A 71 -8.057 -11.618 -0.523 1.00 75.43 N ATOM 978 CA ILE A 71 -7.006 -12.575 -0.849 1.00 22.45 C ATOM 979 C ILE A 71 -6.322 -12.213 -2.162 1.00 53.22 C ATOM 980 O ILE A 71 -5.131 -12.468 -2.343 1.00 44.11 O ATOM 981 CB ILE A 71 -7.561 -14.007 -0.948 1.00 54.45 C ATOM 982 CG1 ILE A 71 -6.516 -15.016 -0.466 1.00 70.43 C ATOM 983 CG2 ILE A 71 -7.981 -14.314 -2.377 1.00 75.34 C ATOM 984 CD1 ILE A 71 -6.488 -16.292 -1.278 1.00 21.12 C ATOM 0 H ILE A 71 -8.967 -12.039 -0.335 1.00 75.43 H new ATOM 0 HA ILE A 71 -6.277 -12.533 -0.040 1.00 22.45 H new ATOM 0 HB ILE A 71 -8.439 -14.086 -0.307 1.00 54.45 H new ATOM 0 HG12 ILE A 71 -5.531 -14.551 -0.501 1.00 70.43 H new ATOM 0 HG13 ILE A 71 -6.715 -15.263 0.577 1.00 70.43 H new ATOM 0 HG21 ILE A 71 -8.371 -15.330 -2.431 1.00 75.34 H new ATOM 0 HG22 ILE A 71 -8.754 -13.611 -2.688 1.00 75.34 H new ATOM 0 HG23 ILE A 71 -7.119 -14.221 -3.038 1.00 75.34 H new ATOM 0 HD11 ILE A 71 -5.724 -16.960 -0.880 1.00 21.12 H new ATOM 0 HD12 ILE A 71 -7.461 -16.780 -1.223 1.00 21.12 H new ATOM 0 HD13 ILE A 71 -6.258 -16.057 -2.317 1.00 21.12 H new ATOM 995 N GLN A 72 -7.081 -11.616 -3.075 1.00 2.25 N ATOM 996 CA GLN A 72 -6.546 -11.220 -4.372 1.00 54.13 C ATOM 997 C GLN A 72 -5.719 -9.944 -4.252 1.00 41.53 C ATOM 998 O GLN A 72 -4.844 -9.681 -5.078 1.00 34.44 O ATOM 999 CB GLN A 72 -7.683 -11.012 -5.375 1.00 23.22 C ATOM 1000 CG GLN A 72 -8.671 -9.936 -4.958 1.00 32.52 C ATOM 1001 CD GLN A 72 -9.627 -9.559 -6.073 1.00 31.32 C ATOM 1002 OE1 GLN A 72 -9.857 -8.378 -6.336 1.00 33.52 O ATOM 1003 NE2 GLN A 72 -10.191 -10.562 -6.735 1.00 13.14 N ATOM 0 H GLN A 72 -8.068 -11.396 -2.941 1.00 2.25 H new ATOM 0 HA GLN A 72 -5.898 -12.020 -4.729 1.00 54.13 H new ATOM 0 HB2 GLN A 72 -7.258 -10.748 -6.344 1.00 23.22 H new ATOM 0 HB3 GLN A 72 -8.217 -11.953 -5.507 1.00 23.22 H new ATOM 0 HG2 GLN A 72 -9.242 -10.286 -4.098 1.00 32.52 H new ATOM 0 HG3 GLN A 72 -8.124 -9.049 -4.638 1.00 32.52 H new ATOM 0 HE21 GLN A 72 -9.972 -11.526 -6.484 1.00 13.14 H new ATOM 0 HE22 GLN A 72 -10.843 -10.369 -7.495 1.00 13.14 H new ATOM 1010 N ASP A 73 -6.002 -9.156 -3.221 1.00 54.42 N ATOM 1011 CA ASP A 73 -5.283 -7.908 -2.993 1.00 62.13 C ATOM 1012 C ASP A 73 -3.951 -8.167 -2.296 1.00 2.14 C ATOM 1013 O ASP A 73 -3.164 -7.246 -2.079 1.00 41.35 O ATOM 1014 CB ASP A 73 -6.133 -6.950 -2.157 1.00 41.21 C ATOM 1015 CG ASP A 73 -6.836 -5.909 -3.005 1.00 65.44 C ATOM 1016 OD1 ASP A 73 -6.219 -4.865 -3.297 1.00 31.12 O ATOM 1017 OD2 ASP A 73 -8.005 -6.141 -3.378 1.00 64.53 O ATOM 0 H ASP A 73 -6.724 -9.359 -2.530 1.00 54.42 H new ATOM 0 HA ASP A 73 -5.082 -7.451 -3.962 1.00 62.13 H new ATOM 0 HB2 ASP A 73 -6.875 -7.521 -1.598 1.00 41.21 H new ATOM 0 HB3 ASP A 73 -5.498 -6.450 -1.425 1.00 41.21 H new ATOM 1021 N GLU A 74 -3.708 -9.426 -1.945 1.00 11.11 N ATOM 1022 CA GLU A 74 -2.472 -9.806 -1.271 1.00 10.52 C ATOM 1023 C GLU A 74 -1.256 -9.428 -2.111 1.00 1.11 C ATOM 1024 O GLU A 74 -1.273 -9.545 -3.335 1.00 44.53 O ATOM 1025 CB GLU A 74 -2.462 -11.308 -0.983 1.00 41.24 C ATOM 1026 CG GLU A 74 -2.263 -12.163 -2.225 1.00 23.04 C ATOM 1027 CD GLU A 74 -2.200 -13.645 -1.907 1.00 65.53 C ATOM 1028 OE1 GLU A 74 -2.799 -14.060 -0.893 1.00 41.51 O ATOM 1029 OE2 GLU A 74 -1.555 -14.389 -2.675 1.00 70.01 O ATOM 0 H GLU A 74 -4.350 -10.200 -2.116 1.00 11.11 H new ATOM 0 HA GLU A 74 -2.422 -9.264 -0.327 1.00 10.52 H new ATOM 0 HB2 GLU A 74 -1.668 -11.528 -0.269 1.00 41.24 H new ATOM 0 HB3 GLU A 74 -3.403 -11.585 -0.508 1.00 41.24 H new ATOM 0 HG2 GLU A 74 -3.080 -11.979 -2.923 1.00 23.04 H new ATOM 0 HG3 GLU A 74 -1.342 -11.863 -2.725 1.00 23.04 H new ATOM 1034 N GLY A 75 -0.200 -8.974 -1.442 1.00 55.04 N ATOM 1035 CA GLY A 75 1.011 -8.586 -2.142 1.00 52.30 C ATOM 1036 C GLY A 75 1.912 -7.704 -1.300 1.00 4.52 C ATOM 1037 O GLY A 75 1.985 -7.868 -0.081 1.00 55.32 O ATOM 0 H GLY A 75 -0.162 -8.868 -0.428 1.00 55.04 H new ATOM 0 HA2 GLY A 75 1.558 -9.481 -2.438 1.00 52.30 H new ATOM 0 HA3 GLY A 75 0.744 -8.058 -3.058 1.00 52.30 H new ATOM 1041 N ILE A 76 2.598 -6.770 -1.948 1.00 5.44 N ATOM 1042 CA ILE A 76 3.499 -5.861 -1.251 1.00 1.13 C ATOM 1043 C ILE A 76 3.249 -4.415 -1.663 1.00 32.41 C ATOM 1044 O ILE A 76 3.091 -4.114 -2.847 1.00 45.43 O ATOM 1045 CB ILE A 76 4.974 -6.213 -1.519 1.00 53.04 C ATOM 1046 CG1 ILE A 76 5.328 -7.551 -0.867 1.00 52.41 C ATOM 1047 CG2 ILE A 76 5.884 -5.110 -1.003 1.00 34.02 C ATOM 1048 CD1 ILE A 76 4.837 -8.752 -1.646 1.00 63.42 C ATOM 0 H ILE A 76 2.547 -6.622 -2.956 1.00 5.44 H new ATOM 0 HA ILE A 76 3.296 -5.972 -0.186 1.00 1.13 H new ATOM 0 HB ILE A 76 5.120 -6.304 -2.595 1.00 53.04 H new ATOM 0 HG12 ILE A 76 6.410 -7.617 -0.757 1.00 52.41 H new ATOM 0 HG13 ILE A 76 4.903 -7.581 0.136 1.00 52.41 H new ATOM 0 HG21 ILE A 76 6.923 -5.374 -1.200 1.00 34.02 H new ATOM 0 HG22 ILE A 76 5.645 -4.175 -1.509 1.00 34.02 H new ATOM 0 HG23 ILE A 76 5.737 -4.990 0.070 1.00 34.02 H new ATOM 0 HD11 ILE A 76 5.124 -9.666 -1.125 1.00 63.42 H new ATOM 0 HD12 ILE A 76 3.751 -8.710 -1.734 1.00 63.42 H new ATOM 0 HD13 ILE A 76 5.282 -8.747 -2.641 1.00 63.42 H new ATOM 1059 N PHE A 77 3.216 -3.522 -0.679 1.00 54.14 N ATOM 1060 CA PHE A 77 2.988 -2.105 -0.940 1.00 43.10 C ATOM 1061 C PHE A 77 4.304 -1.335 -0.956 1.00 14.23 C ATOM 1062 O PHE A 77 5.156 -1.523 -0.086 1.00 31.51 O ATOM 1063 CB PHE A 77 2.051 -1.516 0.115 1.00 32.32 C ATOM 1064 CG PHE A 77 0.684 -2.139 0.120 1.00 61.51 C ATOM 1065 CD1 PHE A 77 0.511 -3.455 0.517 1.00 64.45 C ATOM 1066 CD2 PHE A 77 -0.427 -1.410 -0.272 1.00 1.44 C ATOM 1067 CE1 PHE A 77 -0.745 -4.032 0.521 1.00 41.03 C ATOM 1068 CE2 PHE A 77 -1.684 -1.981 -0.268 1.00 72.54 C ATOM 1069 CZ PHE A 77 -1.845 -3.294 0.129 1.00 1.12 C ATOM 0 H PHE A 77 3.344 -3.754 0.306 1.00 54.14 H new ATOM 0 HA PHE A 77 2.523 -2.012 -1.922 1.00 43.10 H new ATOM 0 HB2 PHE A 77 2.502 -1.641 1.100 1.00 32.32 H new ATOM 0 HB3 PHE A 77 1.952 -0.444 -0.057 1.00 32.32 H new ATOM 0 HD1 PHE A 77 1.367 -4.036 0.827 1.00 64.45 H new ATOM 0 HD2 PHE A 77 -0.308 -0.383 -0.584 1.00 1.44 H new ATOM 0 HE1 PHE A 77 -0.866 -5.060 0.831 1.00 41.03 H new ATOM 0 HE2 PHE A 77 -2.542 -1.401 -0.575 1.00 72.54 H new ATOM 0 HZ PHE A 77 -2.828 -3.742 0.133 1.00 1.12 H new ATOM 1078 N ARG A 78 4.465 -0.469 -1.951 1.00 32.02 N ATOM 1079 CA ARG A 78 5.679 0.330 -2.081 1.00 45.42 C ATOM 1080 C ARG A 78 5.342 1.811 -2.223 1.00 12.32 C ATOM 1081 O ARG A 78 4.559 2.201 -3.090 1.00 5.33 O ATOM 1082 CB ARG A 78 6.495 -0.138 -3.287 1.00 72.03 C ATOM 1083 CG ARG A 78 7.987 -0.223 -3.016 1.00 4.32 C ATOM 1084 CD ARG A 78 8.751 0.869 -3.749 1.00 71.42 C ATOM 1085 NE ARG A 78 9.047 0.498 -5.129 1.00 71.03 N ATOM 1086 CZ ARG A 78 9.431 1.367 -6.059 1.00 11.22 C ATOM 1087 NH1 ARG A 78 9.563 2.651 -5.755 1.00 55.10 N ATOM 1088 NH2 ARG A 78 9.684 0.953 -7.293 1.00 62.14 N ATOM 0 H ARG A 78 3.770 -0.302 -2.679 1.00 32.02 H new ATOM 0 HA ARG A 78 6.272 0.196 -1.176 1.00 45.42 H new ATOM 0 HB2 ARG A 78 6.135 -1.118 -3.601 1.00 72.03 H new ATOM 0 HB3 ARG A 78 6.324 0.546 -4.118 1.00 72.03 H new ATOM 0 HG2 ARG A 78 8.168 -0.139 -1.945 1.00 4.32 H new ATOM 0 HG3 ARG A 78 8.359 -1.199 -3.326 1.00 4.32 H new ATOM 0 HD2 ARG A 78 8.167 1.789 -3.738 1.00 71.42 H new ATOM 0 HD3 ARG A 78 9.682 1.076 -3.222 1.00 71.42 H new ATOM 0 HE ARG A 78 8.954 -0.482 -5.395 1.00 71.03 H new ATOM 0 HH11 ARG A 78 9.370 2.973 -4.807 1.00 55.10 H new ATOM 0 HH12 ARG A 78 9.858 3.317 -6.470 1.00 55.10 H new ATOM 0 HH21 ARG A 78 9.584 -0.034 -7.530 1.00 62.14 H new ATOM 0 HH22 ARG A 78 9.978 1.621 -8.005 1.00 62.14 H new ATOM 1099 N CYS A 79 5.938 2.633 -1.365 1.00 51.32 N ATOM 1100 CA CYS A 79 5.702 4.072 -1.394 1.00 41.52 C ATOM 1101 C CYS A 79 7.012 4.834 -1.578 1.00 44.25 C ATOM 1102 O CYS A 79 8.073 4.376 -1.155 1.00 43.21 O ATOM 1103 CB CYS A 79 5.014 4.522 -0.105 1.00 0.42 C ATOM 1104 SG CYS A 79 4.538 6.280 -0.090 1.00 44.45 S ATOM 0 H CYS A 79 6.588 2.327 -0.641 1.00 51.32 H new ATOM 0 HA CYS A 79 5.052 4.292 -2.241 1.00 41.52 H new ATOM 0 HB2 CYS A 79 4.123 3.914 0.050 1.00 0.42 H new ATOM 0 HB3 CYS A 79 5.680 4.330 0.736 1.00 0.42 H new ATOM 1108 N GLN A 80 6.927 5.999 -2.211 1.00 21.14 N ATOM 1109 CA GLN A 80 8.106 6.825 -2.450 1.00 50.24 C ATOM 1110 C GLN A 80 7.751 8.307 -2.402 1.00 60.42 C ATOM 1111 O GLN A 80 6.804 8.750 -3.053 1.00 34.11 O ATOM 1112 CB GLN A 80 8.728 6.481 -3.806 1.00 23.24 C ATOM 1113 CG GLN A 80 7.721 6.435 -4.943 1.00 60.23 C ATOM 1114 CD GLN A 80 8.368 6.617 -6.302 1.00 52.44 C ATOM 1115 OE1 GLN A 80 8.255 5.756 -7.176 1.00 22.44 O ATOM 1116 NE2 GLN A 80 9.051 7.740 -6.487 1.00 64.33 N ATOM 0 H GLN A 80 6.056 6.393 -2.567 1.00 21.14 H new ATOM 0 HA GLN A 80 8.830 6.618 -1.662 1.00 50.24 H new ATOM 0 HB2 GLN A 80 9.496 7.218 -4.041 1.00 23.24 H new ATOM 0 HB3 GLN A 80 9.226 5.514 -3.733 1.00 23.24 H new ATOM 0 HG2 GLN A 80 7.196 5.480 -4.920 1.00 60.23 H new ATOM 0 HG3 GLN A 80 6.973 7.214 -4.793 1.00 60.23 H new ATOM 0 HE21 GLN A 80 9.118 8.426 -5.735 1.00 64.33 H new ATOM 0 HE22 GLN A 80 9.508 7.917 -7.381 1.00 64.33 H new ATOM 1123 N ALA A 81 8.515 9.068 -1.627 1.00 72.34 N ATOM 1124 CA ALA A 81 8.282 10.501 -1.496 1.00 34.32 C ATOM 1125 C ALA A 81 9.578 11.286 -1.665 1.00 0.11 C ATOM 1126 O ALA A 81 10.670 10.731 -1.555 1.00 2.42 O ATOM 1127 CB ALA A 81 7.647 10.811 -0.149 1.00 33.44 C ATOM 0 H ALA A 81 9.301 8.717 -1.080 1.00 72.34 H new ATOM 0 HA ALA A 81 7.597 10.806 -2.287 1.00 34.32 H new ATOM 0 HB1 ALA A 81 7.479 11.885 -0.065 1.00 33.44 H new ATOM 0 HB2 ALA A 81 6.695 10.287 -0.066 1.00 33.44 H new ATOM 0 HB3 ALA A 81 8.312 10.484 0.651 1.00 33.44 H new ATOM 1133 N MET A 82 9.450 12.582 -1.934 1.00 44.24 N ATOM 1134 CA MET A 82 10.613 13.442 -2.118 1.00 75.44 C ATOM 1135 C MET A 82 10.491 14.708 -1.276 1.00 21.21 C ATOM 1136 O MET A 82 9.490 15.420 -1.350 1.00 11.11 O ATOM 1137 CB MET A 82 10.772 13.812 -3.595 1.00 5.23 C ATOM 1138 CG MET A 82 11.817 14.888 -3.842 1.00 42.23 C ATOM 1139 SD MET A 82 12.534 14.792 -5.493 1.00 25.23 S ATOM 1140 CE MET A 82 13.568 13.339 -5.329 1.00 43.14 C ATOM 0 H MET A 82 8.553 13.059 -2.029 1.00 44.24 H new ATOM 0 HA MET A 82 11.496 12.892 -1.791 1.00 75.44 H new ATOM 0 HB2 MET A 82 11.042 12.919 -4.158 1.00 5.23 H new ATOM 0 HB3 MET A 82 9.812 14.154 -3.981 1.00 5.23 H new ATOM 0 HG2 MET A 82 11.363 15.869 -3.704 1.00 42.23 H new ATOM 0 HG3 MET A 82 12.610 14.796 -3.100 1.00 42.23 H new ATOM 0 HE1 MET A 82 14.319 13.335 -6.119 1.00 43.14 H new ATOM 0 HE2 MET A 82 14.063 13.353 -4.358 1.00 43.14 H new ATOM 0 HE3 MET A 82 12.952 12.443 -5.409 1.00 43.14 H new ATOM 1148 N ASN A 83 11.514 14.981 -0.473 1.00 52.32 N ATOM 1149 CA ASN A 83 11.520 16.161 0.383 1.00 1.44 C ATOM 1150 C ASN A 83 12.043 17.379 -0.371 1.00 24.21 C ATOM 1151 O ASN A 83 12.556 17.260 -1.483 1.00 53.43 O ATOM 1152 CB ASN A 83 12.377 15.910 1.626 1.00 5.44 C ATOM 1153 CG ASN A 83 11.646 15.099 2.680 1.00 60.22 C ATOM 1154 OD1 ASN A 83 11.171 15.642 3.676 1.00 12.45 O ATOM 1155 ND2 ASN A 83 11.553 13.793 2.461 1.00 10.34 N ATOM 0 H ASN A 83 12.350 14.401 -0.397 1.00 52.32 H new ATOM 0 HA ASN A 83 10.494 16.361 0.691 1.00 1.44 H new ATOM 0 HB2 ASN A 83 13.288 15.386 1.336 1.00 5.44 H new ATOM 0 HB3 ASN A 83 12.681 16.866 2.053 1.00 5.44 H new ATOM 0 HD21 ASN A 83 11.072 13.196 3.134 1.00 10.34 H new ATOM 0 HD22 ASN A 83 11.963 13.386 1.620 1.00 10.34 H new ATOM 1161 N ARG A 84 11.910 18.550 0.243 1.00 71.32 N ATOM 1162 CA ARG A 84 12.369 19.791 -0.371 1.00 30.02 C ATOM 1163 C ARG A 84 13.891 19.878 -0.348 1.00 13.52 C ATOM 1164 O ARG A 84 14.489 20.664 -1.081 1.00 32.45 O ATOM 1165 CB ARG A 84 11.768 20.996 0.355 1.00 60.25 C ATOM 1166 CG ARG A 84 12.360 21.236 1.733 1.00 21.03 C ATOM 1167 CD ARG A 84 11.439 22.084 2.596 1.00 10.00 C ATOM 1168 NE ARG A 84 11.751 21.959 4.017 1.00 72.15 N ATOM 1169 CZ ARG A 84 11.119 22.633 4.971 1.00 72.32 C ATOM 1170 NH1 ARG A 84 10.144 23.477 4.657 1.00 42.40 N ATOM 1171 NH2 ARG A 84 11.460 22.466 6.242 1.00 41.22 N ATOM 0 H ARG A 84 11.488 18.666 1.165 1.00 71.32 H new ATOM 0 HA ARG A 84 12.037 19.798 -1.409 1.00 30.02 H new ATOM 0 HB2 ARG A 84 11.916 21.887 -0.255 1.00 60.25 H new ATOM 0 HB3 ARG A 84 10.692 20.851 0.452 1.00 60.25 H new ATOM 0 HG2 ARG A 84 12.541 20.280 2.224 1.00 21.03 H new ATOM 0 HG3 ARG A 84 13.326 21.732 1.634 1.00 21.03 H new ATOM 0 HD2 ARG A 84 11.523 23.129 2.297 1.00 10.00 H new ATOM 0 HD3 ARG A 84 10.405 21.785 2.424 1.00 10.00 H new ATOM 0 HE ARG A 84 12.496 21.319 4.292 1.00 72.15 H new ATOM 0 HH11 ARG A 84 9.878 23.609 3.681 1.00 42.40 H new ATOM 0 HH12 ARG A 84 9.660 23.993 5.392 1.00 42.40 H new ATOM 0 HH21 ARG A 84 12.209 21.819 6.488 1.00 41.22 H new ATOM 0 HH22 ARG A 84 10.973 22.985 6.973 1.00 41.22 H new ATOM 1182 N ASN A 85 14.513 19.066 0.500 1.00 10.20 N ATOM 1183 CA ASN A 85 15.967 19.051 0.619 1.00 64.32 C ATOM 1184 C ASN A 85 16.608 18.415 -0.611 1.00 22.04 C ATOM 1185 O ASN A 85 17.789 18.618 -0.882 1.00 74.22 O ATOM 1186 CB ASN A 85 16.389 18.292 1.878 1.00 21.15 C ATOM 1187 CG ASN A 85 16.314 19.152 3.125 1.00 24.01 C ATOM 1188 OD1 ASN A 85 17.183 19.989 3.369 1.00 61.03 O ATOM 1189 ND2 ASN A 85 15.270 18.948 3.922 1.00 12.22 N ATOM 0 H ASN A 85 14.033 18.409 1.115 1.00 10.20 H new ATOM 0 HA ASN A 85 16.311 20.083 0.693 1.00 64.32 H new ATOM 0 HB2 ASN A 85 15.749 17.418 2.004 1.00 21.15 H new ATOM 0 HB3 ASN A 85 17.408 17.926 1.754 1.00 21.15 H new ATOM 0 HD21 ASN A 85 15.165 19.496 4.776 1.00 12.22 H new ATOM 0 HD22 ASN A 85 14.574 18.243 3.680 1.00 12.22 H new ATOM 1195 N GLY A 86 15.817 17.644 -1.351 1.00 65.54 N ATOM 1196 CA GLY A 86 16.324 16.990 -2.544 1.00 2.35 C ATOM 1197 C GLY A 86 16.391 15.484 -2.394 1.00 43.11 C ATOM 1198 O GLY A 86 16.403 14.753 -3.386 1.00 15.20 O ATOM 0 H GLY A 86 14.835 17.461 -1.146 1.00 65.54 H new ATOM 0 HA2 GLY A 86 15.685 17.240 -3.391 1.00 2.35 H new ATOM 0 HA3 GLY A 86 17.319 17.374 -2.771 1.00 2.35 H new ATOM 1202 N LYS A 87 16.435 15.014 -1.152 1.00 13.14 N ATOM 1203 CA LYS A 87 16.501 13.584 -0.874 1.00 53.44 C ATOM 1204 C LYS A 87 15.107 12.967 -0.868 1.00 11.44 C ATOM 1205 O LYS A 87 14.143 13.595 -0.432 1.00 54.50 O ATOM 1206 CB LYS A 87 17.189 13.335 0.470 1.00 32.20 C ATOM 1207 CG LYS A 87 18.703 13.441 0.407 1.00 64.20 C ATOM 1208 CD LYS A 87 19.182 14.830 0.796 1.00 54.05 C ATOM 1209 CE LYS A 87 20.390 15.253 -0.027 1.00 62.44 C ATOM 1210 NZ LYS A 87 21.670 14.895 0.642 1.00 43.03 N ATOM 0 H LYS A 87 16.426 15.604 -0.320 1.00 13.14 H new ATOM 0 HA LYS A 87 17.084 13.112 -1.665 1.00 53.44 H new ATOM 0 HB2 LYS A 87 16.813 14.052 1.200 1.00 32.20 H new ATOM 0 HB3 LYS A 87 16.917 12.343 0.829 1.00 32.20 H new ATOM 0 HG2 LYS A 87 19.148 12.702 1.073 1.00 64.20 H new ATOM 0 HG3 LYS A 87 19.043 13.207 -0.602 1.00 64.20 H new ATOM 0 HD2 LYS A 87 18.374 15.548 0.654 1.00 54.05 H new ATOM 0 HD3 LYS A 87 19.439 14.844 1.855 1.00 54.05 H new ATOM 0 HE2 LYS A 87 20.347 14.777 -1.007 1.00 62.44 H new ATOM 0 HE3 LYS A 87 20.356 16.330 -0.194 1.00 62.44 H new ATOM 0 HZ1 LYS A 87 22.469 15.200 0.050 1.00 43.03 H new ATOM 0 HZ2 LYS A 87 21.723 15.369 1.566 1.00 43.03 H new ATOM 0 HZ3 LYS A 87 21.714 13.865 0.779 1.00 43.03 H new ATOM 1220 N GLU A 88 15.009 11.732 -1.350 1.00 63.32 N ATOM 1221 CA GLU A 88 13.731 11.030 -1.396 1.00 0.52 C ATOM 1222 C GLU A 88 13.680 9.922 -0.348 1.00 35.12 C ATOM 1223 O GLU A 88 14.687 9.272 -0.064 1.00 70.22 O ATOM 1224 CB GLU A 88 13.500 10.439 -2.788 1.00 75.14 C ATOM 1225 CG GLU A 88 14.133 9.072 -2.983 1.00 4.52 C ATOM 1226 CD GLU A 88 15.629 9.080 -2.736 1.00 24.25 C ATOM 1227 OE1 GLU A 88 16.312 9.980 -3.267 1.00 12.31 O ATOM 1228 OE2 GLU A 88 16.116 8.187 -2.011 1.00 52.05 O ATOM 0 H GLU A 88 15.798 11.197 -1.714 1.00 63.32 H new ATOM 0 HA GLU A 88 12.942 11.750 -1.177 1.00 0.52 H new ATOM 0 HB2 GLU A 88 12.428 10.362 -2.967 1.00 75.14 H new ATOM 0 HB3 GLU A 88 13.900 11.125 -3.535 1.00 75.14 H new ATOM 0 HG2 GLU A 88 13.661 8.358 -2.308 1.00 4.52 H new ATOM 0 HG3 GLU A 88 13.938 8.727 -3.999 1.00 4.52 H new ATOM 1233 N THR A 89 12.499 9.715 0.228 1.00 55.11 N ATOM 1234 CA THR A 89 12.316 8.689 1.246 1.00 25.12 C ATOM 1235 C THR A 89 11.629 7.456 0.668 1.00 75.15 C ATOM 1236 O THR A 89 10.618 7.566 -0.027 1.00 33.42 O ATOM 1237 CB THR A 89 11.488 9.217 2.433 1.00 42.14 C ATOM 1238 OG1 THR A 89 11.633 10.637 2.539 1.00 32.20 O ATOM 1239 CG2 THR A 89 11.922 8.557 3.732 1.00 11.10 C ATOM 0 H THR A 89 11.656 10.245 0.006 1.00 55.11 H new ATOM 0 HA THR A 89 13.310 8.414 1.600 1.00 25.12 H new ATOM 0 HB THR A 89 10.441 8.973 2.254 1.00 42.14 H new ATOM 0 HG1 THR A 89 10.945 11.077 1.998 1.00 32.20 H new ATOM 0 HG21 THR A 89 11.323 8.946 4.556 1.00 11.10 H new ATOM 0 HG22 THR A 89 11.780 7.479 3.658 1.00 11.10 H new ATOM 0 HG23 THR A 89 12.975 8.772 3.916 1.00 11.10 H new ATOM 1247 N LYS A 90 12.182 6.286 0.960 1.00 44.42 N ATOM 1248 CA LYS A 90 11.621 5.031 0.471 1.00 73.14 C ATOM 1249 C LYS A 90 10.900 4.285 1.590 1.00 55.14 C ATOM 1250 O LYS A 90 11.337 4.297 2.740 1.00 13.32 O ATOM 1251 CB LYS A 90 12.727 4.149 -0.115 1.00 64.13 C ATOM 1252 CG LYS A 90 13.821 3.803 0.879 1.00 11.10 C ATOM 1253 CD LYS A 90 15.056 3.258 0.182 1.00 42.31 C ATOM 1254 CE LYS A 90 14.685 2.284 -0.926 1.00 13.25 C ATOM 1255 NZ LYS A 90 14.134 1.011 -0.384 1.00 71.04 N ATOM 0 H LYS A 90 13.019 6.179 1.533 1.00 44.42 H new ATOM 0 HA LYS A 90 10.898 5.264 -0.311 1.00 73.14 H new ATOM 0 HB2 LYS A 90 12.284 3.227 -0.490 1.00 64.13 H new ATOM 0 HB3 LYS A 90 13.172 4.659 -0.969 1.00 64.13 H new ATOM 0 HG2 LYS A 90 14.088 4.691 1.452 1.00 11.10 H new ATOM 0 HG3 LYS A 90 13.448 3.066 1.590 1.00 11.10 H new ATOM 0 HD2 LYS A 90 15.634 4.083 -0.235 1.00 42.31 H new ATOM 0 HD3 LYS A 90 15.695 2.757 0.910 1.00 42.31 H new ATOM 0 HE2 LYS A 90 13.950 2.746 -1.585 1.00 13.25 H new ATOM 0 HE3 LYS A 90 15.566 2.070 -1.531 1.00 13.25 H new ATOM 0 HZ1 LYS A 90 14.100 0.298 -1.140 1.00 71.04 H new ATOM 0 HZ2 LYS A 90 14.743 0.669 0.387 1.00 71.04 H new ATOM 0 HZ3 LYS A 90 13.174 1.176 -0.020 1.00 71.04 H new ATOM 1265 N SER A 91 9.794 3.634 1.243 1.00 74.43 N ATOM 1266 CA SER A 91 9.011 2.885 2.217 1.00 5.35 C ATOM 1267 C SER A 91 8.360 1.667 1.570 1.00 25.13 C ATOM 1268 O SER A 91 7.578 1.793 0.630 1.00 55.13 O ATOM 1269 CB SER A 91 7.939 3.780 2.840 1.00 35.01 C ATOM 1270 OG SER A 91 8.416 5.104 3.011 1.00 62.11 O ATOM 0 H SER A 91 9.421 3.611 0.294 1.00 74.43 H new ATOM 0 HA SER A 91 9.686 2.541 3.001 1.00 5.35 H new ATOM 0 HB2 SER A 91 7.053 3.788 2.204 1.00 35.01 H new ATOM 0 HB3 SER A 91 7.636 3.372 3.804 1.00 35.01 H new ATOM 0 HG SER A 91 7.768 5.736 2.635 1.00 62.11 H new ATOM 1275 N ASN A 92 8.689 0.485 2.083 1.00 54.02 N ATOM 1276 CA ASN A 92 8.136 -0.758 1.555 1.00 61.12 C ATOM 1277 C ASN A 92 7.481 -1.576 2.663 1.00 31.42 C ATOM 1278 O ASN A 92 8.114 -1.895 3.671 1.00 74.35 O ATOM 1279 CB ASN A 92 9.234 -1.581 0.879 1.00 21.33 C ATOM 1280 CG ASN A 92 8.802 -2.124 -0.470 1.00 75.13 C ATOM 1281 OD1 ASN A 92 9.548 -2.057 -1.447 1.00 11.34 O ATOM 1282 ND2 ASN A 92 7.590 -2.662 -0.530 1.00 3.04 N ATOM 0 H ASN A 92 9.335 0.362 2.863 1.00 54.02 H new ATOM 0 HA ASN A 92 7.375 -0.504 0.817 1.00 61.12 H new ATOM 0 HB2 ASN A 92 10.122 -0.962 0.751 1.00 21.33 H new ATOM 0 HB3 ASN A 92 9.515 -2.410 1.528 1.00 21.33 H new ATOM 0 HD21 ASN A 92 7.243 -3.041 -1.411 1.00 3.04 H new ATOM 0 HD22 ASN A 92 7.005 -2.696 0.305 1.00 3.04 H new ATOM 1288 N TYR A 93 6.211 -1.913 2.470 1.00 11.14 N ATOM 1289 CA TYR A 93 5.470 -2.693 3.454 1.00 65.30 C ATOM 1290 C TYR A 93 4.806 -3.902 2.803 1.00 44.14 C ATOM 1291 O TYR A 93 3.968 -3.760 1.913 1.00 63.32 O ATOM 1292 CB TYR A 93 4.412 -1.822 4.135 1.00 52.22 C ATOM 1293 CG TYR A 93 4.988 -0.816 5.106 1.00 0.31 C ATOM 1294 CD1 TYR A 93 5.837 0.193 4.670 1.00 42.02 C ATOM 1295 CD2 TYR A 93 4.683 -0.878 6.461 1.00 74.25 C ATOM 1296 CE1 TYR A 93 6.366 1.112 5.554 1.00 14.22 C ATOM 1297 CE2 TYR A 93 5.207 0.040 7.351 1.00 2.10 C ATOM 1298 CZ TYR A 93 6.049 1.032 6.894 1.00 23.04 C ATOM 1299 OH TYR A 93 6.573 1.946 7.777 1.00 52.12 O ATOM 0 H TYR A 93 5.673 -1.658 1.642 1.00 11.14 H new ATOM 0 HA TYR A 93 6.176 -3.049 4.204 1.00 65.30 H new ATOM 0 HB2 TYR A 93 3.843 -1.292 3.371 1.00 52.22 H new ATOM 0 HB3 TYR A 93 3.710 -2.466 4.666 1.00 52.22 H new ATOM 0 HD1 TYR A 93 6.088 0.260 3.622 1.00 42.02 H new ATOM 0 HD2 TYR A 93 4.027 -1.655 6.823 1.00 74.25 H new ATOM 0 HE1 TYR A 93 7.025 1.890 5.198 1.00 14.22 H new ATOM 0 HE2 TYR A 93 4.958 -0.019 8.400 1.00 2.10 H new ATOM 0 HH TYR A 93 6.250 1.750 8.681 1.00 52.12 H new ATOM 1308 N ARG A 94 5.188 -5.094 3.254 1.00 53.00 N ATOM 1309 CA ARG A 94 4.630 -6.329 2.716 1.00 74.13 C ATOM 1310 C ARG A 94 3.372 -6.734 3.476 1.00 63.44 C ATOM 1311 O ARG A 94 3.330 -6.675 4.706 1.00 63.22 O ATOM 1312 CB ARG A 94 5.666 -7.452 2.785 1.00 31.44 C ATOM 1313 CG ARG A 94 6.889 -7.209 1.915 1.00 4.10 C ATOM 1314 CD ARG A 94 8.174 -7.304 2.721 1.00 40.44 C ATOM 1315 NE ARG A 94 8.222 -8.516 3.535 1.00 3.00 N ATOM 1316 CZ ARG A 94 8.457 -9.725 3.039 1.00 3.51 C ATOM 1317 NH1 ARG A 94 8.666 -9.885 1.739 1.00 14.31 N ATOM 1318 NH2 ARG A 94 8.485 -10.781 3.844 1.00 61.32 N ATOM 0 H ARG A 94 5.881 -5.230 3.990 1.00 53.00 H new ATOM 0 HA ARG A 94 4.362 -6.154 1.674 1.00 74.13 H new ATOM 0 HB2 ARG A 94 5.986 -7.576 3.820 1.00 31.44 H new ATOM 0 HB3 ARG A 94 5.196 -8.387 2.482 1.00 31.44 H new ATOM 0 HG2 ARG A 94 6.911 -7.938 1.105 1.00 4.10 H new ATOM 0 HG3 ARG A 94 6.819 -6.224 1.454 1.00 4.10 H new ATOM 0 HD2 ARG A 94 9.028 -7.288 2.044 1.00 40.44 H new ATOM 0 HD3 ARG A 94 8.262 -6.430 3.367 1.00 40.44 H new ATOM 0 HE ARG A 94 8.066 -8.429 4.539 1.00 3.00 H new ATOM 0 HH11 ARG A 94 8.647 -9.077 1.116 1.00 14.31 H new ATOM 0 HH12 ARG A 94 8.846 -10.816 1.362 1.00 14.31 H new ATOM 0 HH21 ARG A 94 8.326 -10.664 4.845 1.00 61.32 H new ATOM 0 HH22 ARG A 94 8.666 -11.709 3.462 1.00 61.32 H new ATOM 1329 N VAL A 95 2.348 -7.146 2.736 1.00 24.45 N ATOM 1330 CA VAL A 95 1.087 -7.562 3.341 1.00 63.33 C ATOM 1331 C VAL A 95 0.705 -8.971 2.900 1.00 62.23 C ATOM 1332 O VAL A 95 0.831 -9.320 1.727 1.00 51.43 O ATOM 1333 CB VAL A 95 -0.056 -6.595 2.978 1.00 31.14 C ATOM 1334 CG1 VAL A 95 -1.383 -7.111 3.512 1.00 2.21 C ATOM 1335 CG2 VAL A 95 0.237 -5.201 3.513 1.00 24.14 C ATOM 0 H VAL A 95 2.366 -7.201 1.718 1.00 24.45 H new ATOM 0 HA VAL A 95 1.234 -7.549 4.421 1.00 63.33 H new ATOM 0 HB VAL A 95 -0.128 -6.536 1.892 1.00 31.14 H new ATOM 0 HG11 VAL A 95 -2.178 -6.414 3.246 1.00 2.21 H new ATOM 0 HG12 VAL A 95 -1.595 -8.088 3.077 1.00 2.21 H new ATOM 0 HG13 VAL A 95 -1.328 -7.201 4.597 1.00 2.21 H new ATOM 0 HG21 VAL A 95 -0.580 -4.530 3.248 1.00 24.14 H new ATOM 0 HG22 VAL A 95 0.336 -5.241 4.598 1.00 24.14 H new ATOM 0 HG23 VAL A 95 1.165 -4.832 3.077 1.00 24.14 H new ATOM 1345 N ARG A 96 0.235 -9.775 3.849 1.00 74.11 N ATOM 1346 CA ARG A 96 -0.165 -11.146 3.558 1.00 43.32 C ATOM 1347 C ARG A 96 -1.548 -11.441 4.129 1.00 35.11 C ATOM 1348 O ARG A 96 -1.809 -11.204 5.309 1.00 34.21 O ATOM 1349 CB ARG A 96 0.856 -12.130 4.133 1.00 11.31 C ATOM 1350 CG ARG A 96 1.687 -12.834 3.072 1.00 31.13 C ATOM 1351 CD ARG A 96 0.814 -13.655 2.136 1.00 55.30 C ATOM 1352 NE ARG A 96 1.592 -14.635 1.382 1.00 72.34 N ATOM 1353 CZ ARG A 96 1.184 -15.173 0.238 1.00 53.32 C ATOM 1354 NH1 ARG A 96 0.014 -14.829 -0.281 1.00 21.51 N ATOM 1355 NH2 ARG A 96 1.949 -16.059 -0.390 1.00 11.12 N ATOM 0 H ARG A 96 0.122 -9.500 4.825 1.00 74.11 H new ATOM 0 HA ARG A 96 -0.205 -11.265 2.475 1.00 43.32 H new ATOM 0 HB2 ARG A 96 1.523 -11.595 4.809 1.00 11.31 H new ATOM 0 HB3 ARG A 96 0.332 -12.878 4.728 1.00 11.31 H new ATOM 0 HG2 ARG A 96 2.246 -12.096 2.497 1.00 31.13 H new ATOM 0 HG3 ARG A 96 2.418 -13.484 3.553 1.00 31.13 H new ATOM 0 HD2 ARG A 96 0.046 -14.169 2.714 1.00 55.30 H new ATOM 0 HD3 ARG A 96 0.300 -12.989 1.443 1.00 55.30 H new ATOM 0 HE ARG A 96 2.497 -14.922 1.754 1.00 72.34 H new ATOM 0 HH11 ARG A 96 -0.576 -14.149 0.198 1.00 21.51 H new ATOM 0 HH12 ARG A 96 -0.296 -15.244 -1.160 1.00 21.51 H new ATOM 0 HH21 ARG A 96 2.850 -16.326 0.006 1.00 11.12 H new ATOM 0 HH22 ARG A 96 1.635 -16.472 -1.268 1.00 11.12 H new ATOM 1366 N VAL A 97 -2.434 -11.959 3.285 1.00 41.13 N ATOM 1367 CA VAL A 97 -3.791 -12.286 3.704 1.00 4.43 C ATOM 1368 C VAL A 97 -3.855 -13.682 4.318 1.00 35.31 C ATOM 1369 O VAL A 97 -2.832 -14.347 4.478 1.00 44.35 O ATOM 1370 CB VAL A 97 -4.777 -12.213 2.523 1.00 64.20 C ATOM 1371 CG1 VAL A 97 -4.629 -10.892 1.785 1.00 11.21 C ATOM 1372 CG2 VAL A 97 -4.568 -13.387 1.579 1.00 3.44 C ATOM 0 H VAL A 97 -2.236 -12.161 2.305 1.00 41.13 H new ATOM 0 HA VAL A 97 -4.077 -11.548 4.453 1.00 4.43 H new ATOM 0 HB VAL A 97 -5.792 -12.270 2.917 1.00 64.20 H new ATOM 0 HG11 VAL A 97 -5.334 -10.859 0.954 1.00 11.21 H new ATOM 0 HG12 VAL A 97 -4.835 -10.068 2.469 1.00 11.21 H new ATOM 0 HG13 VAL A 97 -3.612 -10.801 1.403 1.00 11.21 H new ATOM 0 HG21 VAL A 97 -5.274 -13.318 0.751 1.00 3.44 H new ATOM 0 HG22 VAL A 97 -3.550 -13.365 1.191 1.00 3.44 H new ATOM 0 HG23 VAL A 97 -4.731 -14.320 2.118 1.00 3.44 H new ATOM 1382 N TYR A 98 -5.062 -14.115 4.662 1.00 74.20 N ATOM 1383 CA TYR A 98 -5.260 -15.429 5.262 1.00 0.23 C ATOM 1384 C TYR A 98 -5.029 -16.535 4.236 1.00 4.25 C ATOM 1385 O TYR A 98 -3.958 -17.139 4.190 1.00 2.44 O ATOM 1386 CB TYR A 98 -6.670 -15.542 5.842 1.00 71.53 C ATOM 1387 CG TYR A 98 -7.014 -16.930 6.334 1.00 73.03 C ATOM 1388 CD1 TYR A 98 -6.315 -17.509 7.385 1.00 35.21 C ATOM 1389 CD2 TYR A 98 -8.038 -17.663 5.746 1.00 22.42 C ATOM 1390 CE1 TYR A 98 -6.625 -18.777 7.837 1.00 65.14 C ATOM 1391 CE2 TYR A 98 -8.357 -18.931 6.192 1.00 13.23 C ATOM 1392 CZ TYR A 98 -7.646 -19.484 7.238 1.00 71.43 C ATOM 1393 OH TYR A 98 -7.959 -20.747 7.685 1.00 23.43 O ATOM 0 H TYR A 98 -5.918 -13.576 4.536 1.00 74.20 H new ATOM 0 HA TYR A 98 -4.534 -15.546 6.067 1.00 0.23 H new ATOM 0 HB2 TYR A 98 -6.771 -14.838 6.668 1.00 71.53 H new ATOM 0 HB3 TYR A 98 -7.392 -15.247 5.080 1.00 71.53 H new ATOM 0 HD1 TYR A 98 -5.515 -16.958 7.857 1.00 35.21 H new ATOM 0 HD2 TYR A 98 -8.594 -17.234 4.926 1.00 22.42 H new ATOM 0 HE1 TYR A 98 -6.071 -19.212 8.655 1.00 65.14 H new ATOM 0 HE2 TYR A 98 -9.157 -19.486 5.725 1.00 13.23 H new ATOM 0 HH TYR A 98 -8.702 -21.106 7.157 1.00 23.43 H new ATOM 1402 N GLN A 99 -6.043 -16.794 3.417 1.00 30.32 N ATOM 1403 CA GLN A 99 -5.953 -17.826 2.392 1.00 1.51 C ATOM 1404 C GLN A 99 -4.815 -17.531 1.421 1.00 41.33 C ATOM 1405 O GLN A 99 -4.532 -16.372 1.117 1.00 70.04 O ATOM 1406 CB GLN A 99 -7.274 -17.937 1.630 1.00 62.40 C ATOM 1407 CG GLN A 99 -7.281 -19.035 0.578 1.00 22.41 C ATOM 1408 CD GLN A 99 -6.982 -20.402 1.160 1.00 41.22 C ATOM 1409 OE1 GLN A 99 -7.615 -20.719 2.284 1.00 60.31 O flip ATOM 1410 NE2 GLN A 99 -6.191 -21.167 0.607 1.00 24.21 N flip ATOM 0 H GLN A 99 -6.937 -16.303 3.444 1.00 30.32 H new ATOM 0 HA GLN A 99 -5.748 -18.775 2.887 1.00 1.51 H new ATOM 0 HB2 GLN A 99 -8.079 -18.122 2.341 1.00 62.40 H new ATOM 0 HB3 GLN A 99 -7.487 -16.983 1.148 1.00 62.40 H new ATOM 0 HG2 GLN A 99 -8.255 -19.058 0.088 1.00 22.41 H new ATOM 0 HG3 GLN A 99 -6.543 -18.802 -0.190 1.00 22.41 H new ATOM 0 HE21 GLN A 99 -5.726 -20.884 -0.256 1.00 24.21 H new ATOM 0 HE22 GLN A 99 -6.001 -22.084 1.012 1.00 24.21 H new ATOM 1417 N ILE A 100 -4.167 -18.586 0.937 1.00 62.12 N ATOM 1418 CA ILE A 100 -3.062 -18.439 -0.001 1.00 13.02 C ATOM 1419 C ILE A 100 -3.347 -19.171 -1.308 1.00 2.43 C ATOM 1420 O ILE A 100 -4.182 -20.073 -1.372 1.00 41.54 O ATOM 1421 CB ILE A 100 -1.743 -18.969 0.595 1.00 71.15 C ATOM 1422 CG1 ILE A 100 -2.030 -19.895 1.777 1.00 5.21 C ATOM 1423 CG2 ILE A 100 -0.853 -17.812 1.024 1.00 41.21 C ATOM 1424 CD1 ILE A 100 -0.786 -20.523 2.368 1.00 61.43 C ATOM 0 H ILE A 100 -4.389 -19.552 1.179 1.00 62.12 H new ATOM 0 HA ILE A 100 -2.959 -17.373 -0.201 1.00 13.02 H new ATOM 0 HB ILE A 100 -1.218 -19.540 -0.171 1.00 71.15 H new ATOM 0 HG12 ILE A 100 -2.546 -19.331 2.553 1.00 5.21 H new ATOM 0 HG13 ILE A 100 -2.708 -20.685 1.453 1.00 5.21 H new ATOM 0 HG21 ILE A 100 0.075 -18.202 1.443 1.00 41.21 H new ATOM 0 HG22 ILE A 100 -0.626 -17.187 0.160 1.00 41.21 H new ATOM 0 HG23 ILE A 100 -1.369 -17.216 1.777 1.00 41.21 H new ATOM 0 HD11 ILE A 100 -1.065 -21.167 3.202 1.00 61.43 H new ATOM 0 HD12 ILE A 100 -0.280 -21.115 1.605 1.00 61.43 H new ATOM 0 HD13 ILE A 100 -0.116 -19.740 2.723 1.00 61.43 H new ATOM 1435 N PRO A 101 -2.636 -18.776 -2.374 1.00 54.44 N ATOM 1436 CA PRO A 101 -2.795 -19.384 -3.699 1.00 12.14 C ATOM 1437 C PRO A 101 -2.261 -20.813 -3.748 1.00 73.22 C ATOM 1438 O PRO A 101 -1.163 -21.092 -3.269 1.00 13.12 O ATOM 1439 CB PRO A 101 -1.967 -18.472 -4.608 1.00 11.42 C ATOM 1440 CG PRO A 101 -0.953 -17.858 -3.706 1.00 52.15 C ATOM 1441 CD PRO A 101 -1.624 -17.708 -2.370 1.00 11.34 C ATOM 0 HA PRO A 101 -3.843 -19.462 -3.990 1.00 12.14 H new ATOM 0 HB2 PRO A 101 -1.493 -19.038 -5.410 1.00 11.42 H new ATOM 0 HB3 PRO A 101 -2.590 -17.712 -5.079 1.00 11.42 H new ATOM 0 HG2 PRO A 101 -0.067 -18.488 -3.629 1.00 52.15 H new ATOM 0 HG3 PRO A 101 -0.625 -16.892 -4.088 1.00 52.15 H new ATOM 0 HD2 PRO A 101 -0.917 -17.828 -1.549 1.00 11.34 H new ATOM 0 HD3 PRO A 101 -2.079 -16.724 -2.257 1.00 11.34 H new ATOM 1446 N GLY A 102 -3.046 -21.712 -4.334 1.00 11.01 N ATOM 1447 CA GLY A 102 -2.634 -23.101 -4.436 1.00 71.21 C ATOM 1448 C GLY A 102 -3.506 -23.895 -5.390 1.00 4.05 C ATOM 1449 O GLY A 102 -3.780 -25.072 -5.157 1.00 72.03 O ATOM 0 H GLY A 102 -3.959 -21.504 -4.739 1.00 11.01 H new ATOM 0 HA2 GLY A 102 -1.598 -23.146 -4.772 1.00 71.21 H new ATOM 0 HA3 GLY A 102 -2.669 -23.561 -3.448 1.00 71.21 H new ATOM 1453 N LYS A 103 -3.946 -23.249 -6.464 1.00 33.21 N ATOM 1454 CA LYS A 103 -4.792 -23.901 -7.457 1.00 2.25 C ATOM 1455 C LYS A 103 -4.662 -23.219 -8.814 1.00 42.43 C ATOM 1456 O LYS A 103 -4.225 -22.074 -8.922 1.00 11.52 O ATOM 1457 CB LYS A 103 -6.253 -23.882 -7.001 1.00 53.45 C ATOM 1458 CG LYS A 103 -6.657 -25.107 -6.199 1.00 53.35 C ATOM 1459 CD LYS A 103 -8.131 -25.073 -5.832 1.00 32.31 C ATOM 1460 CE LYS A 103 -9.015 -25.257 -7.056 1.00 0.42 C ATOM 1461 NZ LYS A 103 -10.440 -25.473 -6.684 1.00 11.32 N ATOM 0 H LYS A 103 -3.731 -22.273 -6.669 1.00 33.21 H new ATOM 0 HA LYS A 103 -4.462 -24.935 -7.558 1.00 2.25 H new ATOM 0 HB2 LYS A 103 -6.425 -22.991 -6.398 1.00 53.45 H new ATOM 0 HB3 LYS A 103 -6.897 -23.803 -7.877 1.00 53.45 H new ATOM 0 HG2 LYS A 103 -6.446 -26.007 -6.777 1.00 53.35 H new ATOM 0 HG3 LYS A 103 -6.056 -25.163 -5.291 1.00 53.35 H new ATOM 0 HD2 LYS A 103 -8.344 -25.858 -5.106 1.00 32.31 H new ATOM 0 HD3 LYS A 103 -8.366 -24.123 -5.352 1.00 32.31 H new ATOM 0 HE2 LYS A 103 -8.936 -24.378 -7.696 1.00 0.42 H new ATOM 0 HE3 LYS A 103 -8.658 -26.108 -7.637 1.00 0.42 H new ATOM 0 HZ1 LYS A 103 -11.009 -25.594 -7.546 1.00 11.32 H new ATOM 0 HZ2 LYS A 103 -10.519 -26.326 -6.094 1.00 11.32 H new ATOM 0 HZ3 LYS A 103 -10.788 -24.650 -6.152 1.00 11.32 H new ATOM 1471 N PRO A 104 -5.052 -23.937 -9.877 1.00 73.24 N ATOM 1472 CA PRO A 104 -4.991 -23.421 -11.249 1.00 2.24 C ATOM 1473 C PRO A 104 -6.011 -22.316 -11.497 1.00 54.31 C ATOM 1474 O PRO A 104 -6.747 -21.923 -10.593 1.00 64.24 O ATOM 1475 CB PRO A 104 -5.312 -24.648 -12.104 1.00 45.43 C ATOM 1476 CG PRO A 104 -6.113 -25.532 -11.213 1.00 50.12 C ATOM 1477 CD PRO A 104 -5.584 -25.310 -9.824 1.00 61.50 C ATOM 0 HA PRO A 104 -4.024 -22.971 -11.473 1.00 2.24 H new ATOM 0 HB2 PRO A 104 -5.873 -24.372 -12.997 1.00 45.43 H new ATOM 0 HB3 PRO A 104 -4.402 -25.145 -12.440 1.00 45.43 H new ATOM 0 HG2 PRO A 104 -7.173 -25.286 -11.270 1.00 50.12 H new ATOM 0 HG3 PRO A 104 -6.012 -26.577 -11.507 1.00 50.12 H new ATOM 0 HD2 PRO A 104 -6.369 -25.408 -9.074 1.00 61.50 H new ATOM 0 HD3 PRO A 104 -4.808 -26.032 -9.569 1.00 61.50 H new ATOM 1482 N GLU A 105 -6.049 -21.818 -12.730 1.00 4.51 N ATOM 1483 CA GLU A 105 -6.979 -20.756 -13.096 1.00 41.12 C ATOM 1484 C GLU A 105 -7.615 -21.036 -14.455 1.00 22.15 C ATOM 1485 O GLU A 105 -7.305 -22.034 -15.104 1.00 3.21 O ATOM 1486 CB GLU A 105 -6.261 -19.406 -13.123 1.00 60.14 C ATOM 1487 CG GLU A 105 -5.148 -19.329 -14.156 1.00 40.40 C ATOM 1488 CD GLU A 105 -3.868 -19.989 -13.682 1.00 23.44 C ATOM 1489 OE1 GLU A 105 -3.558 -19.888 -12.476 1.00 22.42 O ATOM 1490 OE2 GLU A 105 -3.174 -20.607 -14.517 1.00 73.42 O ATOM 0 H GLU A 105 -5.447 -22.133 -13.491 1.00 4.51 H new ATOM 0 HA GLU A 105 -7.768 -20.723 -12.345 1.00 41.12 H new ATOM 0 HB2 GLU A 105 -6.989 -18.621 -13.326 1.00 60.14 H new ATOM 0 HB3 GLU A 105 -5.844 -19.206 -12.136 1.00 60.14 H new ATOM 0 HG2 GLU A 105 -5.479 -19.807 -15.078 1.00 40.40 H new ATOM 0 HG3 GLU A 105 -4.948 -18.284 -14.392 1.00 40.40 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 9.973 -12.566 -8.830 1.00 3.01 N ATOM 1497 CA ASP B 1 9.803 -12.000 -7.496 1.00 73.52 C ATOM 1498 C ASP B 1 8.439 -11.329 -7.361 1.00 54.21 C ATOM 1499 O ASP B 1 7.592 -11.440 -8.246 1.00 42.22 O ATOM 1500 CB ASP B 1 10.912 -10.989 -7.202 1.00 51.22 C ATOM 1501 CG ASP B 1 10.670 -9.651 -7.872 1.00 40.10 C ATOM 1502 OD1 ASP B 1 10.120 -9.640 -8.994 1.00 20.44 O ATOM 1503 OD2 ASP B 1 11.031 -8.615 -7.276 1.00 23.33 O ATOM 0 H1 ASP B 1 10.341 -13.536 -8.751 1.00 3.01 H new ATOM 0 H2 ASP B 1 9.056 -12.583 -9.320 1.00 3.01 H new ATOM 0 H3 ASP B 1 10.644 -11.984 -9.371 1.00 3.01 H new ATOM 0 HA ASP B 1 9.862 -12.814 -6.773 1.00 73.52 H new ATOM 0 HB2 ASP B 1 10.990 -10.843 -6.125 1.00 51.22 H new ATOM 0 HB3 ASP B 1 11.866 -11.393 -7.539 1.00 51.22 H new ATOM 1507 N GLU B 2 8.235 -10.634 -6.245 1.00 45.02 N ATOM 1508 CA GLU B 2 6.973 -9.948 -5.994 1.00 3.44 C ATOM 1509 C GLU B 2 7.194 -8.448 -5.827 1.00 21.53 C ATOM 1510 O GLU B 2 6.381 -7.635 -6.267 1.00 44.12 O ATOM 1511 CB GLU B 2 6.296 -10.518 -4.746 1.00 12.45 C ATOM 1512 CG GLU B 2 7.250 -10.730 -3.580 1.00 42.24 C ATOM 1513 CD GLU B 2 7.531 -12.196 -3.315 1.00 0.03 C ATOM 1514 OE1 GLU B 2 7.500 -12.990 -4.279 1.00 14.14 O ATOM 1515 OE2 GLU B 2 7.780 -12.550 -2.144 1.00 10.13 O ATOM 0 H GLU B 2 8.926 -10.532 -5.502 1.00 45.02 H new ATOM 0 HA GLU B 2 6.324 -10.108 -6.855 1.00 3.44 H new ATOM 0 HB2 GLU B 2 5.499 -9.843 -4.435 1.00 12.45 H new ATOM 0 HB3 GLU B 2 5.827 -11.469 -4.999 1.00 12.45 H new ATOM 0 HG2 GLU B 2 8.189 -10.215 -3.785 1.00 42.24 H new ATOM 0 HG3 GLU B 2 6.828 -10.277 -2.683 1.00 42.24 H new ATOM 1520 N PHE B 3 8.300 -8.086 -5.185 1.00 2.41 N ATOM 1521 CA PHE B 3 8.628 -6.684 -4.957 1.00 51.52 C ATOM 1522 C PHE B 3 10.007 -6.545 -4.316 1.00 14.33 C ATOM 1523 O PHE B 3 10.725 -7.483 -4.331 1.00 5.04 O ATOM 1524 CB PHE B 3 7.571 -6.029 -4.066 1.00 52.31 C ATOM 1525 CG PHE B 3 6.923 -4.826 -4.691 1.00 50.40 C ATOM 1526 CD1 PHE B 3 7.691 -3.847 -5.298 1.00 35.43 C ATOM 1527 CD2 PHE B 3 5.545 -4.676 -4.669 1.00 34.14 C ATOM 1528 CE1 PHE B 3 7.098 -2.738 -5.874 1.00 10.01 C ATOM 1529 CE2 PHE B 3 4.947 -3.571 -5.243 1.00 33.12 C ATOM 1530 CZ PHE B 3 5.724 -2.600 -5.845 1.00 34.03 C ATOM 0 H PHE B 3 8.984 -8.745 -4.813 1.00 2.41 H new ATOM 0 HA PHE B 3 8.643 -6.179 -5.923 1.00 51.52 H new ATOM 0 HB2 PHE B 3 6.802 -6.764 -3.828 1.00 52.31 H new ATOM 0 HB3 PHE B 3 8.033 -5.735 -3.124 1.00 52.31 H new ATOM 0 HD1 PHE B 3 8.766 -3.950 -5.322 1.00 35.43 H new ATOM 0 HD2 PHE B 3 4.933 -5.431 -4.198 1.00 34.14 H new ATOM 0 HE1 PHE B 3 7.708 -1.982 -6.345 1.00 10.01 H new ATOM 0 HE2 PHE B 3 3.872 -3.466 -5.221 1.00 33.12 H new ATOM 0 HZ PHE B 3 5.258 -1.735 -6.292 1.00 34.03 H new HETATM 1539 N MCL B 4 10.273 -5.430 -3.819 1.00 41.02 N HETATM 1540 CA MCL B 4 11.550 -5.137 -3.175 1.00 61.45 C HETATM 1541 CB MCL B 4 11.553 -3.687 -2.648 1.00 75.42 C HETATM 1542 CG MCL B 4 12.688 -3.508 -1.619 1.00 2.13 C HETATM 1543 CD MCL B 4 13.326 -2.112 -1.783 1.00 21.11 C HETATM 1544 CE MCL B 4 12.247 -1.027 -1.586 1.00 71.32 C HETATM 1545 NZ MCL B 4 12.136 -0.213 -2.805 1.00 54.31 N HETATM 1546 CX1 MCL B 4 12.745 1.158 -2.557 1.00 14.23 C HETATM 1547 C1 MCL B 4 14.278 1.034 -2.487 1.00 14.31 C HETATM 1548 CX2 MCL B 4 12.245 2.012 -1.378 1.00 22.43 C HETATM 1549 O1 MCL B 4 11.986 3.413 -1.847 1.00 62.11 O HETATM 1550 O2 MCL B 4 10.974 1.423 -0.837 1.00 53.33 O HETATM 1551 C MCL B 4 11.710 -6.081 -2.037 1.00 70.25 C HETATM 1552 O MCL B 4 12.715 -6.783 -1.930 1.00 31.14 O HETATM 0 HZ MCL B 4 11.715 -0.520 -3.682 1.00 54.31 H new HETATM 0 HX1 MCL B 4 12.387 1.725 -3.416 1.00 14.23 H new HETATM 0 HO1 MCL B 4 11.044 3.638 -1.700 1.00 62.11 H new HETATM 0 HG3 MCL B 4 12.297 -3.623 -0.608 1.00 2.13 H new HETATM 0 HG2 MCL B 4 13.443 -4.282 -1.758 1.00 2.13 H new HETATM 0 HE3 MCL B 4 11.288 -1.491 -1.358 1.00 71.32 H new HETATM 0 HE2 MCL B 4 12.504 -0.394 -0.737 1.00 71.32 H new HETATM 0 HD3 MCL B 4 14.128 -1.979 -1.056 1.00 21.11 H new HETATM 0 HD2 MCL B 4 13.774 -2.019 -2.772 1.00 21.11 H new HETATM 0 HB3 MCL B 4 11.686 -2.990 -3.475 1.00 75.42 H new HETATM 0 HB2 MCL B 4 10.592 -3.456 -2.188 1.00 75.42 H new HETATM 0 HA MCL B 4 12.368 -5.249 -3.887 1.00 61.45 H new HETATM 0 H13 MCL B 4 14.552 0.363 -1.673 1.00 14.31 H new HETATM 0 H12 MCL B 4 14.654 0.635 -3.429 1.00 14.31 H new HETATM 0 H11 MCL B 4 14.715 2.017 -2.309 1.00 14.31 H new HETATM 0 H MCL B 4 9.548 -4.714 -3.864 1.00 41.02 H new ATOM 1568 N ALA B 5 10.710 -6.111 -1.162 1.00 74.43 N ATOM 1569 CA ALA B 5 10.737 -6.990 0.000 1.00 73.54 C ATOM 1570 C ALA B 5 11.085 -8.419 -0.402 1.00 30.55 C ATOM 1571 O ALA B 5 10.579 -8.934 -1.399 1.00 73.45 O ATOM 1572 CB ALA B 5 9.397 -6.953 0.721 1.00 74.03 C ATOM 0 H ALA B 5 9.871 -5.536 -1.236 1.00 74.43 H new ATOM 0 HA ALA B 5 11.512 -6.632 0.678 1.00 73.54 H new ATOM 0 HB1 ALA B 5 9.431 -7.614 1.587 1.00 74.03 H new ATOM 0 HB2 ALA B 5 9.189 -5.935 1.050 1.00 74.03 H new ATOM 0 HB3 ALA B 5 8.610 -7.283 0.043 1.00 74.03 H new ATOM 1578 N ASP B 6 11.950 -9.055 0.382 1.00 54.14 N ATOM 1579 CA ASP B 6 12.364 -10.425 0.107 1.00 54.12 C ATOM 1580 C ASP B 6 12.671 -11.170 1.402 1.00 12.51 C ATOM 1581 O ASP B 6 13.669 -10.892 2.067 1.00 2.34 O ATOM 1582 CB ASP B 6 13.594 -10.436 -0.805 1.00 1.21 C ATOM 1583 CG ASP B 6 13.792 -11.773 -1.492 1.00 55.33 C ATOM 1584 OD1 ASP B 6 13.063 -12.051 -2.467 1.00 43.55 O ATOM 1585 OD2 ASP B 6 14.676 -12.539 -1.057 1.00 12.35 O ATOM 0 H ASP B 6 12.377 -8.643 1.212 1.00 54.14 H new ATOM 0 HA ASP B 6 11.542 -10.932 -0.398 1.00 54.12 H new ATOM 0 HB2 ASP B 6 13.491 -9.655 -1.558 1.00 1.21 H new ATOM 0 HB3 ASP B 6 14.481 -10.198 -0.218 1.00 1.21 H new ATOM 1589 N GLU B 7 11.805 -12.115 1.754 1.00 52.11 N ATOM 1590 CA GLU B 7 11.984 -12.898 2.971 1.00 22.41 C ATOM 1591 C GLU B 7 11.133 -14.165 2.933 1.00 54.11 C ATOM 1592 O GLU B 7 11.593 -15.219 2.493 1.00 15.34 O ATOM 1593 CB GLU B 7 11.616 -12.063 4.200 1.00 63.53 C ATOM 1594 CG GLU B 7 10.148 -11.671 4.254 1.00 75.15 C ATOM 1595 CD GLU B 7 9.710 -11.242 5.639 1.00 1.14 C ATOM 1596 OE1 GLU B 7 10.548 -10.694 6.386 1.00 55.52 O ATOM 1597 OE2 GLU B 7 8.526 -11.454 5.978 1.00 72.01 O ATOM 0 H GLU B 7 10.974 -12.357 1.215 1.00 52.11 H new ATOM 0 HA GLU B 7 13.033 -13.186 3.036 1.00 22.41 H new ATOM 0 HB2 GLU B 7 11.866 -12.626 5.099 1.00 63.53 H new ATOM 0 HB3 GLU B 7 12.225 -11.159 4.210 1.00 63.53 H new ATOM 0 HG2 GLU B 7 9.967 -10.857 3.552 1.00 75.15 H new ATOM 0 HG3 GLU B 7 9.538 -12.514 3.929 1.00 75.15 H new TER 1602 GLU B 7