USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Set 1.1: A 19 LYS NZ :NH3+ 179:sc=-0.00964 (180deg=-0.587) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= -0.461 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.41 K(o=-1.9,f=-4.4!) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= -0.459 USER MOD Single : A 1 GLY N :NH3+ 166:sc= -0.178 (180deg=-0.308) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.2) USER MOD Single : A 5 ASN : amide:sc= -0.667 K(o=-0.67,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.135 (180deg=-0.564) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00127) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -8.58! C(o=-11!,f=-8.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= -3.34! (180deg=-3.71!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00403 X(o=-0.004,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.817 X(o=-0.82,f=-1.2) USER MOD Single : A 82 MET CE :methyl -169:sc= 0 (180deg=-0.168) USER MOD Single : A 83 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.24) USER MOD Single : A 85 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.065) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -130:sc=-0.00618 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -74:sc= -0.605 USER MOD Single : A 92 ASN : amide:sc= -9.33! C(o=-9.3!,f=-14!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.0033) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ASP N :NH3+ -144:sc= 0.0471 (180deg=-0.322) USER MOD Single : B 4 MCL O1 : rot -102:sc= -5.51! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.586 3.189 7.076 1.00 62.04 N ATOM 2 CA GLY A 1 12.045 2.412 5.977 1.00 45.43 C ATOM 3 C GLY A 1 12.690 1.044 5.860 1.00 73.44 C ATOM 4 O GLY A 1 13.914 0.927 5.872 1.00 55.43 O ATOM 0 H1 GLY A 1 12.295 4.182 6.975 1.00 62.04 H new ATOM 0 H2 GLY A 1 12.227 2.813 7.977 1.00 62.04 H new ATOM 0 H3 GLY A 1 13.624 3.129 7.065 1.00 62.04 H new ATOM 0 HA2 GLY A 1 10.970 2.293 6.115 1.00 45.43 H new ATOM 0 HA3 GLY A 1 12.188 2.959 5.045 1.00 45.43 H new ATOM 8 N SER A 2 11.864 0.009 5.749 1.00 11.15 N ATOM 9 CA SER A 2 12.362 -1.357 5.634 1.00 5.35 C ATOM 10 C SER A 2 11.219 -2.331 5.366 1.00 12.42 C ATOM 11 O SER A 2 10.055 -2.025 5.622 1.00 72.03 O ATOM 12 CB SER A 2 13.102 -1.761 6.912 1.00 64.11 C ATOM 13 OG SER A 2 12.428 -1.286 8.064 1.00 64.30 O ATOM 0 H SER A 2 10.847 0.090 5.736 1.00 11.15 H new ATOM 0 HA SER A 2 13.054 -1.396 4.793 1.00 5.35 H new ATOM 0 HB2 SER A 2 13.187 -2.847 6.959 1.00 64.11 H new ATOM 0 HB3 SER A 2 14.116 -1.362 6.890 1.00 64.11 H new ATOM 0 HG SER A 2 12.920 -1.559 8.867 1.00 64.30 H new ATOM 18 N ALA A 3 11.561 -3.507 4.848 1.00 21.24 N ATOM 19 CA ALA A 3 10.564 -4.526 4.545 1.00 4.43 C ATOM 20 C ALA A 3 9.833 -4.970 5.809 1.00 52.32 C ATOM 21 O ALA A 3 10.289 -5.870 6.515 1.00 45.14 O ATOM 22 CB ALA A 3 11.221 -5.719 3.866 1.00 0.40 C ATOM 0 H ALA A 3 12.520 -3.777 4.630 1.00 21.24 H new ATOM 0 HA ALA A 3 9.830 -4.093 3.865 1.00 4.43 H new ATOM 0 HB1 ALA A 3 10.466 -6.473 3.645 1.00 0.40 H new ATOM 0 HB2 ALA A 3 11.693 -5.395 2.938 1.00 0.40 H new ATOM 0 HB3 ALA A 3 11.975 -6.144 4.528 1.00 0.40 H new ATOM 28 N GLN A 4 8.701 -4.334 6.085 1.00 1.42 N ATOM 29 CA GLN A 4 7.908 -4.664 7.263 1.00 42.20 C ATOM 30 C GLN A 4 6.822 -5.680 6.922 1.00 74.41 C ATOM 31 O GLN A 4 6.112 -5.533 5.929 1.00 31.12 O ATOM 32 CB GLN A 4 7.275 -3.400 7.848 1.00 31.03 C ATOM 33 CG GLN A 4 6.561 -3.633 9.171 1.00 73.13 C ATOM 34 CD GLN A 4 7.327 -4.562 10.092 1.00 12.12 C ATOM 35 OE1 GLN A 4 8.465 -4.281 10.470 1.00 71.32 O ATOM 36 NE2 GLN A 4 6.705 -5.677 10.460 1.00 55.11 N ATOM 0 H GLN A 4 8.312 -3.587 5.510 1.00 1.42 H new ATOM 0 HA GLN A 4 8.573 -5.106 8.005 1.00 42.20 H new ATOM 0 HB2 GLN A 4 8.051 -2.648 7.991 1.00 31.03 H new ATOM 0 HB3 GLN A 4 6.565 -2.993 7.128 1.00 31.03 H new ATOM 0 HG2 GLN A 4 6.409 -2.676 9.671 1.00 73.13 H new ATOM 0 HG3 GLN A 4 5.574 -4.052 8.978 1.00 73.13 H new ATOM 0 HE21 GLN A 4 5.762 -5.870 10.123 1.00 55.11 H new ATOM 0 HE22 GLN A 4 7.171 -6.340 11.080 1.00 55.11 H new ATOM 43 N ASN A 5 6.700 -6.710 7.753 1.00 14.24 N ATOM 44 CA ASN A 5 5.701 -7.750 7.540 1.00 61.14 C ATOM 45 C ASN A 5 4.388 -7.394 8.229 1.00 11.32 C ATOM 46 O ASN A 5 4.349 -7.195 9.445 1.00 30.42 O ATOM 47 CB ASN A 5 6.215 -9.095 8.058 1.00 60.21 C ATOM 48 CG ASN A 5 6.356 -9.116 9.569 1.00 74.51 C ATOM 49 OD1 ASN A 5 5.407 -9.426 10.288 1.00 50.04 O ATOM 50 ND2 ASN A 5 7.546 -8.785 10.056 1.00 32.22 N ATOM 0 H ASN A 5 7.281 -6.846 8.580 1.00 14.24 H new ATOM 0 HA ASN A 5 5.518 -7.828 6.468 1.00 61.14 H new ATOM 0 HB2 ASN A 5 5.532 -9.886 7.748 1.00 60.21 H new ATOM 0 HB3 ASN A 5 7.181 -9.312 7.602 1.00 60.21 H new ATOM 0 HD21 ASN A 5 7.701 -8.781 11.064 1.00 32.22 H new ATOM 0 HD22 ASN A 5 8.305 -8.535 9.422 1.00 32.22 H new ATOM 56 N ILE A 6 3.317 -7.317 7.448 1.00 31.32 N ATOM 57 CA ILE A 6 2.002 -6.987 7.984 1.00 1.15 C ATOM 58 C ILE A 6 0.981 -8.066 7.641 1.00 1.22 C ATOM 59 O ILE A 6 0.738 -8.356 6.469 1.00 3.41 O ATOM 60 CB ILE A 6 1.500 -5.632 7.450 1.00 11.34 C ATOM 61 CG1 ILE A 6 2.347 -4.491 8.015 1.00 72.13 C ATOM 62 CG2 ILE A 6 0.033 -5.435 7.802 1.00 1.32 C ATOM 63 CD1 ILE A 6 3.617 -4.236 7.233 1.00 24.11 C ATOM 0 H ILE A 6 3.333 -7.479 6.441 1.00 31.32 H new ATOM 0 HA ILE A 6 2.110 -6.924 9.067 1.00 1.15 H new ATOM 0 HB ILE A 6 1.597 -5.627 6.364 1.00 11.34 H new ATOM 0 HG12 ILE A 6 1.750 -3.579 8.030 1.00 72.13 H new ATOM 0 HG13 ILE A 6 2.606 -4.719 9.049 1.00 72.13 H new ATOM 0 HG21 ILE A 6 -0.307 -4.473 7.418 1.00 1.32 H new ATOM 0 HG22 ILE A 6 -0.559 -6.234 7.355 1.00 1.32 H new ATOM 0 HG23 ILE A 6 -0.087 -5.456 8.885 1.00 1.32 H new ATOM 0 HD11 ILE A 6 4.167 -3.414 7.691 1.00 24.11 H new ATOM 0 HD12 ILE A 6 4.235 -5.134 7.239 1.00 24.11 H new ATOM 0 HD13 ILE A 6 3.365 -3.976 6.205 1.00 24.11 H new ATOM 74 N THR A 7 0.384 -8.659 8.671 1.00 34.32 N ATOM 75 CA THR A 7 -0.611 -9.706 8.479 1.00 21.44 C ATOM 76 C THR A 7 -2.024 -9.139 8.541 1.00 73.22 C ATOM 77 O THR A 7 -2.308 -8.242 9.334 1.00 64.12 O ATOM 78 CB THR A 7 -0.468 -10.816 9.538 1.00 70.32 C ATOM 79 OG1 THR A 7 -0.549 -10.253 10.852 1.00 41.02 O ATOM 80 CG2 THR A 7 0.852 -11.553 9.375 1.00 22.12 C ATOM 0 H THR A 7 0.573 -8.431 9.647 1.00 34.32 H new ATOM 0 HA THR A 7 -0.437 -10.132 7.491 1.00 21.44 H new ATOM 0 HB THR A 7 -1.282 -11.528 9.399 1.00 70.32 H new ATOM 0 HG1 THR A 7 -0.459 -10.965 11.519 1.00 41.02 H new ATOM 0 HG21 THR A 7 0.930 -12.332 10.134 1.00 22.12 H new ATOM 0 HG22 THR A 7 0.896 -12.006 8.384 1.00 22.12 H new ATOM 0 HG23 THR A 7 1.678 -10.851 9.490 1.00 22.12 H new ATOM 88 N ALA A 8 -2.906 -9.668 7.700 1.00 51.22 N ATOM 89 CA ALA A 8 -4.291 -9.216 7.660 1.00 1.11 C ATOM 90 C ALA A 8 -5.230 -10.354 7.271 1.00 14.23 C ATOM 91 O ALA A 8 -4.785 -11.417 6.836 1.00 22.42 O ATOM 92 CB ALA A 8 -4.439 -8.052 6.690 1.00 4.11 C ATOM 0 H ALA A 8 -2.686 -10.411 7.037 1.00 51.22 H new ATOM 0 HA ALA A 8 -4.566 -8.879 8.660 1.00 1.11 H new ATOM 0 HB1 ALA A 8 -5.479 -7.725 6.670 1.00 4.11 H new ATOM 0 HB2 ALA A 8 -3.805 -7.226 7.013 1.00 4.11 H new ATOM 0 HB3 ALA A 8 -4.140 -8.370 5.691 1.00 4.11 H new ATOM 98 N ARG A 9 -6.529 -10.124 7.433 1.00 14.35 N ATOM 99 CA ARG A 9 -7.529 -11.131 7.100 1.00 10.14 C ATOM 100 C ARG A 9 -8.418 -10.658 5.955 1.00 41.20 C ATOM 101 O ARG A 9 -8.680 -9.463 5.813 1.00 62.11 O ATOM 102 CB ARG A 9 -8.386 -11.453 8.327 1.00 44.45 C ATOM 103 CG ARG A 9 -8.031 -12.774 8.989 1.00 53.12 C ATOM 104 CD ARG A 9 -7.242 -12.560 10.272 1.00 50.05 C ATOM 105 NE ARG A 9 -7.316 -13.717 11.160 1.00 64.45 N ATOM 106 CZ ARG A 9 -6.625 -13.822 12.289 1.00 51.43 C ATOM 107 NH1 ARG A 9 -5.810 -12.847 12.665 1.00 63.53 N ATOM 108 NH2 ARG A 9 -6.747 -14.907 13.043 1.00 21.05 N ATOM 0 H ARG A 9 -6.913 -9.250 7.792 1.00 14.35 H new ATOM 0 HA ARG A 9 -7.008 -12.034 6.781 1.00 10.14 H new ATOM 0 HB2 ARG A 9 -8.277 -10.650 9.056 1.00 44.45 H new ATOM 0 HB3 ARG A 9 -9.435 -11.475 8.031 1.00 44.45 H new ATOM 0 HG2 ARG A 9 -8.943 -13.328 9.210 1.00 53.12 H new ATOM 0 HG3 ARG A 9 -7.447 -13.383 8.299 1.00 53.12 H new ATOM 0 HD2 ARG A 9 -6.199 -12.357 10.027 1.00 50.05 H new ATOM 0 HD3 ARG A 9 -7.624 -11.680 10.790 1.00 50.05 H new ATOM 0 HE ARG A 9 -7.932 -14.487 10.899 1.00 64.45 H new ATOM 0 HH11 ARG A 9 -5.712 -12.013 12.087 1.00 63.53 H new ATOM 0 HH12 ARG A 9 -5.281 -12.931 13.533 1.00 63.53 H new ATOM 0 HH21 ARG A 9 -7.372 -15.660 12.755 1.00 21.05 H new ATOM 0 HH22 ARG A 9 -6.216 -14.988 13.910 1.00 21.05 H new ATOM 119 N ILE A 10 -8.878 -11.601 5.141 1.00 75.12 N ATOM 120 CA ILE A 10 -9.739 -11.279 4.008 1.00 11.25 C ATOM 121 C ILE A 10 -10.978 -10.514 4.459 1.00 33.12 C ATOM 122 O ILE A 10 -11.757 -11.000 5.277 1.00 24.14 O ATOM 123 CB ILE A 10 -10.179 -12.550 3.257 1.00 22.10 C ATOM 124 CG1 ILE A 10 -8.970 -13.231 2.612 1.00 44.15 C ATOM 125 CG2 ILE A 10 -11.224 -12.208 2.206 1.00 25.02 C ATOM 126 CD1 ILE A 10 -9.118 -14.732 2.489 1.00 74.33 C ATOM 0 H ILE A 10 -8.670 -12.594 5.244 1.00 75.12 H new ATOM 0 HA ILE A 10 -9.154 -10.653 3.335 1.00 11.25 H new ATOM 0 HB ILE A 10 -10.624 -13.242 3.972 1.00 22.10 H new ATOM 0 HG12 ILE A 10 -8.810 -12.807 1.621 1.00 44.15 H new ATOM 0 HG13 ILE A 10 -8.080 -13.009 3.201 1.00 44.15 H new ATOM 0 HG21 ILE A 10 -11.525 -13.116 1.684 1.00 25.02 H new ATOM 0 HG22 ILE A 10 -12.093 -11.762 2.689 1.00 25.02 H new ATOM 0 HG23 ILE A 10 -10.803 -11.501 1.491 1.00 25.02 H new ATOM 0 HD11 ILE A 10 -8.225 -15.149 2.023 1.00 74.33 H new ATOM 0 HD12 ILE A 10 -9.247 -15.167 3.480 1.00 74.33 H new ATOM 0 HD13 ILE A 10 -9.988 -14.963 1.875 1.00 74.33 H new ATOM 137 N GLY A 11 -11.154 -9.312 3.917 1.00 21.51 N ATOM 138 CA GLY A 11 -12.302 -8.499 4.274 1.00 50.01 C ATOM 139 C GLY A 11 -12.039 -7.623 5.483 1.00 55.25 C ATOM 140 O GLY A 11 -12.943 -6.954 5.981 1.00 35.00 O ATOM 0 H GLY A 11 -10.522 -8.887 3.238 1.00 21.51 H new ATOM 0 HA2 GLY A 11 -12.576 -7.871 3.427 1.00 50.01 H new ATOM 0 HA3 GLY A 11 -13.154 -9.148 4.478 1.00 50.01 H new ATOM 144 N GLU A 12 -10.796 -7.628 5.956 1.00 31.21 N ATOM 145 CA GLU A 12 -10.417 -6.830 7.116 1.00 75.24 C ATOM 146 C GLU A 12 -9.685 -5.560 6.686 1.00 44.52 C ATOM 147 O GLU A 12 -8.884 -5.562 5.750 1.00 22.34 O ATOM 148 CB GLU A 12 -9.533 -7.646 8.058 1.00 70.01 C ATOM 149 CG GLU A 12 -10.222 -8.877 8.625 1.00 21.22 C ATOM 150 CD GLU A 12 -11.645 -8.596 9.067 1.00 13.55 C ATOM 151 OE1 GLU A 12 -11.867 -7.560 9.727 1.00 15.23 O ATOM 152 OE2 GLU A 12 -12.536 -9.414 8.756 1.00 21.20 O ATOM 0 H GLU A 12 -10.035 -8.176 5.554 1.00 31.21 H new ATOM 0 HA GLU A 12 -11.328 -6.545 7.642 1.00 75.24 H new ATOM 0 HB2 GLU A 12 -8.636 -7.956 7.523 1.00 70.01 H new ATOM 0 HB3 GLU A 12 -9.209 -7.009 8.881 1.00 70.01 H new ATOM 0 HG2 GLU A 12 -10.228 -9.665 7.872 1.00 21.22 H new ATOM 0 HG3 GLU A 12 -9.649 -9.251 9.473 1.00 21.22 H new ATOM 157 N PRO A 13 -9.967 -4.451 7.385 1.00 12.41 N ATOM 158 CA PRO A 13 -9.345 -3.154 7.095 1.00 43.30 C ATOM 159 C PRO A 13 -7.864 -3.126 7.458 1.00 4.23 C ATOM 160 O PRO A 13 -7.447 -3.726 8.450 1.00 74.04 O ATOM 161 CB PRO A 13 -10.131 -2.180 7.977 1.00 31.33 C ATOM 162 CG PRO A 13 -10.647 -3.016 9.097 1.00 52.42 C ATOM 163 CD PRO A 13 -10.910 -4.376 8.513 1.00 51.10 C ATOM 0 HA PRO A 13 -9.381 -2.913 6.033 1.00 43.30 H new ATOM 0 HB2 PRO A 13 -9.494 -1.376 8.344 1.00 31.33 H new ATOM 0 HB3 PRO A 13 -10.946 -1.713 7.423 1.00 31.33 H new ATOM 0 HG2 PRO A 13 -9.921 -3.073 9.908 1.00 52.42 H new ATOM 0 HG3 PRO A 13 -11.558 -2.588 9.515 1.00 52.42 H new ATOM 0 HD2 PRO A 13 -10.730 -5.167 9.241 1.00 51.10 H new ATOM 0 HD3 PRO A 13 -11.943 -4.478 8.181 1.00 51.10 H new ATOM 168 N LEU A 14 -7.075 -2.427 6.651 1.00 60.23 N ATOM 169 CA LEU A 14 -5.640 -2.321 6.887 1.00 72.31 C ATOM 170 C LEU A 14 -5.124 -0.940 6.493 1.00 51.25 C ATOM 171 O LEU A 14 -5.579 -0.353 5.511 1.00 71.33 O ATOM 172 CB LEU A 14 -4.892 -3.400 6.103 1.00 33.31 C ATOM 173 CG LEU A 14 -3.369 -3.395 6.240 1.00 23.44 C ATOM 174 CD1 LEU A 14 -2.959 -3.763 7.658 1.00 23.20 C ATOM 175 CD2 LEU A 14 -2.741 -4.351 5.236 1.00 13.23 C ATOM 0 H LEU A 14 -7.405 -1.925 5.827 1.00 60.23 H new ATOM 0 HA LEU A 14 -5.461 -2.466 7.952 1.00 72.31 H new ATOM 0 HB2 LEU A 14 -5.262 -4.375 6.421 1.00 33.31 H new ATOM 0 HB3 LEU A 14 -5.142 -3.293 5.047 1.00 33.31 H new ATOM 0 HG LEU A 14 -3.007 -2.389 6.029 1.00 23.44 H new ATOM 0 HD11 LEU A 14 -1.872 -3.754 7.736 1.00 23.20 H new ATOM 0 HD12 LEU A 14 -3.379 -3.040 8.357 1.00 23.20 H new ATOM 0 HD13 LEU A 14 -3.332 -4.759 7.898 1.00 23.20 H new ATOM 0 HD21 LEU A 14 -1.657 -4.335 5.347 1.00 13.23 H new ATOM 0 HD22 LEU A 14 -3.109 -5.361 5.416 1.00 13.23 H new ATOM 0 HD23 LEU A 14 -3.006 -4.043 4.225 1.00 13.23 H new ATOM 186 N VAL A 15 -4.171 -0.428 7.263 1.00 2.23 N ATOM 187 CA VAL A 15 -3.590 0.882 6.993 1.00 55.42 C ATOM 188 C VAL A 15 -2.082 0.784 6.791 1.00 12.32 C ATOM 189 O VAL A 15 -1.415 -0.052 7.403 1.00 74.10 O ATOM 190 CB VAL A 15 -3.879 1.872 8.137 1.00 2.52 C ATOM 191 CG1 VAL A 15 -3.455 3.280 7.745 1.00 1.32 C ATOM 192 CG2 VAL A 15 -5.353 1.836 8.510 1.00 2.15 C ATOM 0 H VAL A 15 -3.784 -0.900 8.080 1.00 2.23 H new ATOM 0 HA VAL A 15 -4.054 1.250 6.078 1.00 55.42 H new ATOM 0 HB VAL A 15 -3.298 1.573 9.009 1.00 2.52 H new ATOM 0 HG11 VAL A 15 -3.667 3.966 8.566 1.00 1.32 H new ATOM 0 HG12 VAL A 15 -2.387 3.291 7.529 1.00 1.32 H new ATOM 0 HG13 VAL A 15 -4.007 3.593 6.859 1.00 1.32 H new ATOM 0 HG21 VAL A 15 -5.541 2.541 9.320 1.00 2.15 H new ATOM 0 HG22 VAL A 15 -5.954 2.110 7.643 1.00 2.15 H new ATOM 0 HG23 VAL A 15 -5.622 0.831 8.835 1.00 2.15 H new ATOM 202 N LEU A 16 -1.549 1.642 5.929 1.00 54.10 N ATOM 203 CA LEU A 16 -0.118 1.653 5.645 1.00 14.22 C ATOM 204 C LEU A 16 0.443 3.069 5.725 1.00 5.13 C ATOM 205 O LEU A 16 -0.250 4.041 5.422 1.00 51.13 O ATOM 206 CB LEU A 16 0.153 1.062 4.260 1.00 70.13 C ATOM 207 CG LEU A 16 -0.222 -0.407 4.071 1.00 51.23 C ATOM 208 CD1 LEU A 16 -0.545 -0.694 2.612 1.00 11.31 C ATOM 209 CD2 LEU A 16 0.902 -1.311 4.559 1.00 54.14 C ATOM 0 H LEU A 16 -2.086 2.340 5.414 1.00 54.10 H new ATOM 0 HA LEU A 16 0.380 1.042 6.397 1.00 14.22 H new ATOM 0 HB2 LEU A 16 -0.391 1.653 3.523 1.00 70.13 H new ATOM 0 HB3 LEU A 16 1.214 1.176 4.040 1.00 70.13 H new ATOM 0 HG LEU A 16 -1.112 -0.614 4.665 1.00 51.23 H new ATOM 0 HD11 LEU A 16 -0.810 -1.745 2.498 1.00 11.31 H new ATOM 0 HD12 LEU A 16 -1.383 -0.073 2.296 1.00 11.31 H new ATOM 0 HD13 LEU A 16 0.326 -0.470 1.996 1.00 11.31 H new ATOM 0 HD21 LEU A 16 0.618 -2.354 4.417 1.00 54.14 H new ATOM 0 HD22 LEU A 16 1.809 -1.102 3.992 1.00 54.14 H new ATOM 0 HD23 LEU A 16 1.084 -1.126 5.618 1.00 54.14 H new ATOM 220 N LYS A 17 1.702 3.180 6.133 1.00 70.02 N ATOM 221 CA LYS A 17 2.359 4.476 6.249 1.00 5.23 C ATOM 222 C LYS A 17 3.470 4.619 5.215 1.00 45.25 C ATOM 223 O LYS A 17 4.063 3.629 4.784 1.00 35.34 O ATOM 224 CB LYS A 17 2.933 4.655 7.657 1.00 11.43 C ATOM 225 CG LYS A 17 2.599 5.997 8.285 1.00 40.02 C ATOM 226 CD LYS A 17 1.124 6.097 8.637 1.00 52.35 C ATOM 227 CE LYS A 17 0.780 5.242 9.846 1.00 32.14 C ATOM 228 NZ LYS A 17 1.537 5.667 11.057 1.00 2.51 N ATOM 0 H LYS A 17 2.289 2.386 6.389 1.00 70.02 H new ATOM 0 HA LYS A 17 1.614 5.250 6.064 1.00 5.23 H new ATOM 0 HB2 LYS A 17 2.554 3.859 8.298 1.00 11.43 H new ATOM 0 HB3 LYS A 17 4.016 4.543 7.615 1.00 11.43 H new ATOM 0 HG2 LYS A 17 3.199 6.138 9.184 1.00 40.02 H new ATOM 0 HG3 LYS A 17 2.865 6.798 7.596 1.00 40.02 H new ATOM 0 HD2 LYS A 17 0.867 7.137 8.840 1.00 52.35 H new ATOM 0 HD3 LYS A 17 0.523 5.781 7.784 1.00 52.35 H new ATOM 0 HE2 LYS A 17 -0.290 5.307 10.045 1.00 32.14 H new ATOM 0 HE3 LYS A 17 1.001 4.197 9.627 1.00 32.14 H new ATOM 0 HZ1 LYS A 17 1.046 5.330 11.909 1.00 2.51 H new ATOM 0 HZ2 LYS A 17 2.495 5.263 11.027 1.00 2.51 H new ATOM 0 HZ3 LYS A 17 1.599 6.705 11.081 1.00 2.51 H new ATOM 238 N CYS A 18 3.747 5.858 4.817 1.00 3.32 N ATOM 239 CA CYS A 18 4.786 6.131 3.833 1.00 41.33 C ATOM 240 C CYS A 18 6.009 6.759 4.494 1.00 51.00 C ATOM 241 O CYS A 18 6.033 7.959 4.770 1.00 25.41 O ATOM 242 CB CYS A 18 4.251 7.057 2.739 1.00 2.25 C ATOM 243 SG CYS A 18 5.330 7.180 1.276 1.00 53.11 S ATOM 0 H CYS A 18 3.265 6.688 5.162 1.00 3.32 H new ATOM 0 HA CYS A 18 5.084 5.184 3.384 1.00 41.33 H new ATOM 0 HB2 CYS A 18 3.270 6.701 2.425 1.00 2.25 H new ATOM 0 HB3 CYS A 18 4.110 8.053 3.158 1.00 2.25 H new ATOM 247 N LYS A 19 7.025 5.941 4.747 1.00 2.11 N ATOM 248 CA LYS A 19 8.253 6.415 5.374 1.00 2.34 C ATOM 249 C LYS A 19 8.859 7.568 4.581 1.00 24.21 C ATOM 250 O LYS A 19 9.139 7.436 3.390 1.00 34.02 O ATOM 251 CB LYS A 19 9.266 5.272 5.488 1.00 34.15 C ATOM 252 CG LYS A 19 9.310 4.633 6.865 1.00 32.21 C ATOM 253 CD LYS A 19 8.004 3.930 7.196 1.00 12.14 C ATOM 254 CE LYS A 19 7.631 4.107 8.660 1.00 51.45 C ATOM 255 NZ LYS A 19 6.164 4.289 8.841 1.00 11.52 N ATOM 0 H LYS A 19 7.022 4.945 4.527 1.00 2.11 H new ATOM 0 HA LYS A 19 8.006 6.775 6.373 1.00 2.34 H new ATOM 0 HB2 LYS A 19 9.023 4.508 4.750 1.00 34.15 H new ATOM 0 HB3 LYS A 19 10.258 5.651 5.241 1.00 34.15 H new ATOM 0 HG2 LYS A 19 10.131 3.917 6.909 1.00 32.21 H new ATOM 0 HG3 LYS A 19 9.513 5.397 7.615 1.00 32.21 H new ATOM 0 HD2 LYS A 19 7.207 4.325 6.566 1.00 12.14 H new ATOM 0 HD3 LYS A 19 8.093 2.868 6.968 1.00 12.14 H new ATOM 0 HE2 LYS A 19 7.962 3.237 9.227 1.00 51.45 H new ATOM 0 HE3 LYS A 19 8.157 4.971 9.067 1.00 51.45 H new ATOM 0 HZ1 LYS A 19 5.949 4.389 9.854 1.00 11.52 H new ATOM 0 HZ2 LYS A 19 5.855 5.144 8.335 1.00 11.52 H new ATOM 0 HZ3 LYS A 19 5.662 3.461 8.461 1.00 11.52 H new ATOM 265 N GLY A 20 9.061 8.699 5.250 1.00 73.33 N ATOM 266 CA GLY A 20 9.634 9.858 4.592 1.00 61.45 C ATOM 267 C GLY A 20 8.754 11.088 4.713 1.00 43.41 C ATOM 268 O GLY A 20 9.251 12.197 4.902 1.00 74.53 O ATOM 0 H GLY A 20 8.838 8.833 6.236 1.00 73.33 H new ATOM 0 HA2 GLY A 20 10.612 10.071 5.024 1.00 61.45 H new ATOM 0 HA3 GLY A 20 9.794 9.632 3.538 1.00 61.45 H new ATOM 272 N ALA A 21 7.445 10.889 4.601 1.00 61.10 N ATOM 273 CA ALA A 21 6.494 11.990 4.699 1.00 33.44 C ATOM 274 C ALA A 21 6.025 12.184 6.137 1.00 14.13 C ATOM 275 O ALA A 21 5.637 11.239 6.823 1.00 42.20 O ATOM 276 CB ALA A 21 5.306 11.744 3.784 1.00 65.21 C ATOM 0 H ALA A 21 7.019 9.976 4.442 1.00 61.10 H new ATOM 0 HA ALA A 21 6.999 12.903 4.383 1.00 33.44 H new ATOM 0 HB1 ALA A 21 4.604 12.574 3.868 1.00 65.21 H new ATOM 0 HB2 ALA A 21 5.651 11.663 2.753 1.00 65.21 H new ATOM 0 HB3 ALA A 21 4.809 10.818 4.074 1.00 65.21 H new ATOM 282 N PRO A 22 6.064 13.440 6.609 1.00 4.20 N ATOM 283 CA PRO A 22 5.647 13.787 7.971 1.00 53.03 C ATOM 284 C PRO A 22 4.141 13.654 8.167 1.00 43.01 C ATOM 285 O PRO A 22 3.453 13.025 7.364 1.00 20.21 O ATOM 286 CB PRO A 22 6.078 15.249 8.111 1.00 24.24 C ATOM 287 CG PRO A 22 6.103 15.773 6.717 1.00 52.40 C ATOM 288 CD PRO A 22 6.517 14.617 5.849 1.00 43.24 C ATOM 0 HA PRO A 22 6.090 13.125 8.715 1.00 53.03 H new ATOM 0 HB2 PRO A 22 5.379 15.810 8.732 1.00 24.24 H new ATOM 0 HB3 PRO A 22 7.058 15.329 8.582 1.00 24.24 H new ATOM 0 HG2 PRO A 22 5.123 16.150 6.424 1.00 52.40 H new ATOM 0 HG3 PRO A 22 6.805 16.602 6.624 1.00 52.40 H new ATOM 0 HD2 PRO A 22 6.049 14.665 4.866 1.00 43.24 H new ATOM 0 HD3 PRO A 22 7.595 14.601 5.688 1.00 43.24 H new ATOM 293 N LYS A 23 3.634 14.251 9.241 1.00 71.12 N ATOM 294 CA LYS A 23 2.208 14.201 9.542 1.00 74.30 C ATOM 295 C LYS A 23 1.379 14.548 8.311 1.00 74.44 C ATOM 296 O LYS A 23 0.451 13.824 7.950 1.00 25.51 O ATOM 297 CB LYS A 23 1.875 15.166 10.683 1.00 65.12 C ATOM 298 CG LYS A 23 2.559 16.517 10.559 1.00 44.23 C ATOM 299 CD LYS A 23 3.372 16.846 11.799 1.00 70.10 C ATOM 300 CE LYS A 23 3.411 18.344 12.057 1.00 53.10 C ATOM 301 NZ LYS A 23 4.086 19.080 10.952 1.00 52.34 N ATOM 0 H LYS A 23 4.190 14.775 9.917 1.00 71.12 H new ATOM 0 HA LYS A 23 1.961 13.184 9.848 1.00 74.30 H new ATOM 0 HB2 LYS A 23 0.796 15.317 10.716 1.00 65.12 H new ATOM 0 HB3 LYS A 23 2.163 14.709 11.630 1.00 65.12 H new ATOM 0 HG2 LYS A 23 3.210 16.517 9.685 1.00 44.23 H new ATOM 0 HG3 LYS A 23 1.810 17.292 10.398 1.00 44.23 H new ATOM 0 HD2 LYS A 23 2.943 16.338 12.662 1.00 70.10 H new ATOM 0 HD3 LYS A 23 4.388 16.469 11.680 1.00 70.10 H new ATOM 0 HE2 LYS A 23 2.394 18.719 12.175 1.00 53.10 H new ATOM 0 HE3 LYS A 23 3.933 18.538 12.994 1.00 53.10 H new ATOM 0 HZ1 LYS A 23 4.153 20.089 11.197 1.00 52.34 H new ATOM 0 HZ2 LYS A 23 5.041 18.694 10.811 1.00 52.34 H new ATOM 0 HZ3 LYS A 23 3.536 18.972 10.076 1.00 52.34 H new ATOM 311 N LYS A 24 1.720 15.660 7.667 1.00 54.20 N ATOM 312 CA LYS A 24 1.009 16.102 6.473 1.00 12.42 C ATOM 313 C LYS A 24 1.892 15.972 5.235 1.00 64.24 C ATOM 314 O LYS A 24 3.119 16.027 5.309 1.00 43.43 O ATOM 315 CB LYS A 24 0.551 17.553 6.634 1.00 21.23 C ATOM 316 CG LYS A 24 -0.763 17.695 7.384 1.00 44.51 C ATOM 317 CD LYS A 24 -1.916 17.077 6.610 1.00 42.22 C ATOM 318 CE LYS A 24 -3.250 17.343 7.289 1.00 25.35 C ATOM 319 NZ LYS A 24 -4.266 16.311 6.941 1.00 34.01 N ATOM 0 H LYS A 24 2.485 16.272 7.952 1.00 54.20 H new ATOM 0 HA LYS A 24 0.135 15.464 6.344 1.00 12.42 H new ATOM 0 HB2 LYS A 24 1.323 18.113 7.161 1.00 21.23 H new ATOM 0 HB3 LYS A 24 0.448 18.004 5.647 1.00 21.23 H new ATOM 0 HG2 LYS A 24 -0.680 17.216 8.359 1.00 44.51 H new ATOM 0 HG3 LYS A 24 -0.968 18.750 7.564 1.00 44.51 H new ATOM 0 HD2 LYS A 24 -1.935 17.482 5.598 1.00 42.22 H new ATOM 0 HD3 LYS A 24 -1.760 16.002 6.520 1.00 42.22 H new ATOM 0 HE2 LYS A 24 -3.109 17.364 8.370 1.00 25.35 H new ATOM 0 HE3 LYS A 24 -3.617 18.327 6.996 1.00 25.35 H new ATOM 0 HZ1 LYS A 24 -5.183 16.574 7.355 1.00 34.01 H new ATOM 0 HZ2 LYS A 24 -4.358 16.249 5.907 1.00 34.01 H new ATOM 0 HZ3 LYS A 24 -3.967 15.389 7.318 1.00 34.01 H new ATOM 329 N PRO A 25 1.253 15.797 4.068 1.00 20.13 N ATOM 330 CA PRO A 25 1.960 15.658 2.791 1.00 15.43 C ATOM 331 C PRO A 25 2.619 16.960 2.349 1.00 63.22 C ATOM 332 O PRO A 25 1.952 17.923 1.967 1.00 2.43 O ATOM 333 CB PRO A 25 0.853 15.259 1.813 1.00 62.21 C ATOM 334 CG PRO A 25 -0.398 15.803 2.416 1.00 11.30 C ATOM 335 CD PRO A 25 -0.209 15.722 3.905 1.00 52.13 C ATOM 0 HA PRO A 25 2.773 14.935 2.852 1.00 15.43 H new ATOM 0 HB2 PRO A 25 1.030 15.678 0.822 1.00 62.21 H new ATOM 0 HB3 PRO A 25 0.798 14.177 1.697 1.00 62.21 H new ATOM 0 HG2 PRO A 25 -0.568 16.832 2.100 1.00 11.30 H new ATOM 0 HG3 PRO A 25 -1.267 15.225 2.101 1.00 11.30 H new ATOM 0 HD2 PRO A 25 -0.713 16.540 4.419 1.00 52.13 H new ATOM 0 HD3 PRO A 25 -0.612 14.794 4.311 1.00 52.13 H new ATOM 340 N PRO A 26 3.959 16.995 2.400 1.00 42.14 N ATOM 341 CA PRO A 26 4.737 18.173 2.007 1.00 30.54 C ATOM 342 C PRO A 26 4.690 18.424 0.503 1.00 1.22 C ATOM 343 O PRO A 26 3.892 19.229 0.024 1.00 51.31 O ATOM 344 CB PRO A 26 6.160 17.823 2.447 1.00 4.30 C ATOM 345 CG PRO A 26 6.198 16.333 2.453 1.00 70.14 C ATOM 346 CD PRO A 26 4.817 15.885 2.846 1.00 11.31 C ATOM 0 HA PRO A 26 4.350 19.086 2.459 1.00 30.54 H new ATOM 0 HB2 PRO A 26 6.900 18.235 1.761 1.00 4.30 H new ATOM 0 HB3 PRO A 26 6.380 18.229 3.434 1.00 4.30 H new ATOM 0 HG2 PRO A 26 6.469 15.946 1.471 1.00 70.14 H new ATOM 0 HG3 PRO A 26 6.943 15.964 3.158 1.00 70.14 H new ATOM 0 HD2 PRO A 26 4.545 14.947 2.361 1.00 11.31 H new ATOM 0 HD3 PRO A 26 4.738 15.723 3.921 1.00 11.31 H new ATOM 351 N GLN A 27 5.548 17.726 -0.234 1.00 74.10 N ATOM 352 CA GLN A 27 5.603 17.875 -1.685 1.00 0.15 C ATOM 353 C GLN A 27 4.924 16.699 -2.378 1.00 21.13 C ATOM 354 O GLN A 27 4.378 15.810 -1.723 1.00 3.10 O ATOM 355 CB GLN A 27 7.057 17.987 -2.151 1.00 24.22 C ATOM 356 CG GLN A 27 7.413 19.356 -2.707 1.00 64.43 C ATOM 357 CD GLN A 27 8.046 20.261 -1.670 1.00 2.35 C ATOM 358 OE1 GLN A 27 7.442 21.239 -1.228 1.00 3.43 O ATOM 359 NE2 GLN A 27 9.272 19.939 -1.273 1.00 14.43 N ATOM 0 H GLN A 27 6.213 17.053 0.148 1.00 74.10 H new ATOM 0 HA GLN A 27 5.071 18.788 -1.953 1.00 0.15 H new ATOM 0 HB2 GLN A 27 7.717 17.761 -1.313 1.00 24.22 H new ATOM 0 HB3 GLN A 27 7.244 17.233 -2.916 1.00 24.22 H new ATOM 0 HG2 GLN A 27 8.099 19.236 -3.546 1.00 64.43 H new ATOM 0 HG3 GLN A 27 6.513 19.831 -3.097 1.00 64.43 H new ATOM 0 HE21 GLN A 27 9.736 19.120 -1.665 1.00 14.43 H new ATOM 0 HE22 GLN A 27 9.749 20.511 -0.576 1.00 14.43 H new ATOM 366 N ARG A 28 4.961 16.700 -3.707 1.00 20.43 N ATOM 367 CA ARG A 28 4.346 15.634 -4.488 1.00 15.20 C ATOM 368 C ARG A 28 5.033 14.299 -4.220 1.00 52.54 C ATOM 369 O ARG A 28 6.257 14.231 -4.099 1.00 30.43 O ATOM 370 CB ARG A 28 4.413 15.964 -5.980 1.00 70.05 C ATOM 371 CG ARG A 28 3.584 17.176 -6.375 1.00 20.45 C ATOM 372 CD ARG A 28 3.649 17.433 -7.872 1.00 3.12 C ATOM 373 NE ARG A 28 4.762 18.308 -8.228 1.00 53.11 N ATOM 374 CZ ARG A 28 4.724 19.631 -8.111 1.00 11.21 C ATOM 375 NH1 ARG A 28 3.633 20.228 -7.650 1.00 45.24 N ATOM 376 NH2 ARG A 28 5.778 20.361 -8.456 1.00 44.52 N ATOM 0 H ARG A 28 5.410 17.427 -4.264 1.00 20.43 H new ATOM 0 HA ARG A 28 3.302 15.552 -4.187 1.00 15.20 H new ATOM 0 HB2 ARG A 28 5.452 16.139 -6.258 1.00 70.05 H new ATOM 0 HB3 ARG A 28 4.072 15.100 -6.550 1.00 70.05 H new ATOM 0 HG2 ARG A 28 2.547 17.022 -6.076 1.00 20.45 H new ATOM 0 HG3 ARG A 28 3.943 18.054 -5.838 1.00 20.45 H new ATOM 0 HD2 ARG A 28 3.751 16.484 -8.399 1.00 3.12 H new ATOM 0 HD3 ARG A 28 2.713 17.883 -8.204 1.00 3.12 H new ATOM 0 HE ARG A 28 5.616 17.880 -8.586 1.00 53.11 H new ATOM 0 HH11 ARG A 28 2.821 19.671 -7.384 1.00 45.24 H new ATOM 0 HH12 ARG A 28 3.606 21.244 -7.561 1.00 45.24 H new ATOM 0 HH21 ARG A 28 6.619 19.906 -8.812 1.00 44.52 H new ATOM 0 HH22 ARG A 28 5.747 21.376 -8.365 1.00 44.52 H new ATOM 387 N LEU A 29 4.238 13.239 -4.128 1.00 53.23 N ATOM 388 CA LEU A 29 4.768 11.903 -3.874 1.00 53.23 C ATOM 389 C LEU A 29 4.110 10.873 -4.787 1.00 51.51 C ATOM 390 O LEU A 29 3.020 11.102 -5.311 1.00 13.55 O ATOM 391 CB LEU A 29 4.554 11.517 -2.411 1.00 33.34 C ATOM 392 CG LEU A 29 3.285 12.061 -1.754 1.00 20.34 C ATOM 393 CD1 LEU A 29 2.058 11.688 -2.572 1.00 25.24 C ATOM 394 CD2 LEU A 29 3.157 11.539 -0.330 1.00 31.42 C ATOM 0 H LEU A 29 3.223 13.278 -4.225 1.00 53.23 H new ATOM 0 HA LEU A 29 5.837 11.917 -4.086 1.00 53.23 H new ATOM 0 HB2 LEU A 29 4.538 10.429 -2.341 1.00 33.34 H new ATOM 0 HB3 LEU A 29 5.414 11.861 -1.836 1.00 33.34 H new ATOM 0 HG LEU A 29 3.355 13.148 -1.717 1.00 20.34 H new ATOM 0 HD11 LEU A 29 1.165 12.084 -2.089 1.00 25.24 H new ATOM 0 HD12 LEU A 29 2.146 12.110 -3.573 1.00 25.24 H new ATOM 0 HD13 LEU A 29 1.983 10.603 -2.641 1.00 25.24 H new ATOM 0 HD21 LEU A 29 2.248 11.936 0.123 1.00 31.42 H new ATOM 0 HD22 LEU A 29 3.109 10.450 -0.345 1.00 31.42 H new ATOM 0 HD23 LEU A 29 4.022 11.857 0.253 1.00 31.42 H new ATOM 405 N GLU A 30 4.777 9.737 -4.967 1.00 12.31 N ATOM 406 CA GLU A 30 4.255 8.672 -5.814 1.00 71.31 C ATOM 407 C GLU A 30 4.086 7.380 -5.021 1.00 0.44 C ATOM 408 O GLU A 30 4.929 7.031 -4.193 1.00 71.40 O ATOM 409 CB GLU A 30 5.186 8.433 -7.004 1.00 30.31 C ATOM 410 CG GLU A 30 4.503 7.768 -8.188 1.00 15.22 C ATOM 411 CD GLU A 30 3.406 8.627 -8.786 1.00 71.40 C ATOM 412 OE1 GLU A 30 2.257 8.543 -8.302 1.00 71.13 O ATOM 413 OE2 GLU A 30 3.695 9.384 -9.737 1.00 0.40 O ATOM 0 H GLU A 30 5.679 9.531 -4.538 1.00 12.31 H new ATOM 0 HA GLU A 30 3.278 8.983 -6.183 1.00 71.31 H new ATOM 0 HB2 GLU A 30 5.603 9.387 -7.325 1.00 30.31 H new ATOM 0 HB3 GLU A 30 6.022 7.812 -6.682 1.00 30.31 H new ATOM 0 HG2 GLU A 30 5.246 7.548 -8.955 1.00 15.22 H new ATOM 0 HG3 GLU A 30 4.081 6.815 -7.871 1.00 15.22 H new ATOM 418 N TRP A 31 2.990 6.674 -5.277 1.00 33.35 N ATOM 419 CA TRP A 31 2.710 5.420 -4.585 1.00 63.32 C ATOM 420 C TRP A 31 2.572 4.271 -5.577 1.00 3.41 C ATOM 421 O TRP A 31 1.974 4.424 -6.643 1.00 14.13 O ATOM 422 CB TRP A 31 1.432 5.548 -3.754 1.00 54.14 C ATOM 423 CG TRP A 31 1.532 6.570 -2.663 1.00 0.50 C ATOM 424 CD1 TRP A 31 1.919 7.873 -2.793 1.00 12.22 C ATOM 425 CD2 TRP A 31 1.243 6.372 -1.275 1.00 31.22 C ATOM 426 NE1 TRP A 31 1.889 8.498 -1.570 1.00 2.21 N ATOM 427 CE2 TRP A 31 1.477 7.599 -0.622 1.00 43.12 C ATOM 428 CE3 TRP A 31 0.808 5.279 -0.521 1.00 30.35 C ATOM 429 CZ2 TRP A 31 1.289 7.759 0.748 1.00 12.24 C ATOM 430 CZ3 TRP A 31 0.623 5.440 0.840 1.00 34.42 C ATOM 431 CH2 TRP A 31 0.863 6.673 1.462 1.00 33.22 C ATOM 0 H TRP A 31 2.281 6.948 -5.958 1.00 33.35 H new ATOM 0 HA TRP A 31 3.547 5.204 -3.921 1.00 63.32 H new ATOM 0 HB2 TRP A 31 0.604 5.810 -4.413 1.00 54.14 H new ATOM 0 HB3 TRP A 31 1.195 4.579 -3.314 1.00 54.14 H new ATOM 0 HD1 TRP A 31 2.207 8.343 -3.722 1.00 12.22 H new ATOM 0 HE1 TRP A 31 2.134 9.473 -1.396 1.00 2.21 H new ATOM 0 HE3 TRP A 31 0.620 4.326 -0.993 1.00 30.35 H new ATOM 0 HZ2 TRP A 31 1.473 8.708 1.230 1.00 12.24 H new ATOM 0 HZ3 TRP A 31 0.288 4.602 1.433 1.00 34.42 H new ATOM 0 HH2 TRP A 31 0.708 6.767 2.527 1.00 33.22 H new ATOM 441 N LYS A 32 3.131 3.119 -5.222 1.00 54.40 N ATOM 442 CA LYS A 32 3.071 1.942 -6.080 1.00 52.34 C ATOM 443 C LYS A 32 2.811 0.682 -5.259 1.00 21.31 C ATOM 444 O LYS A 32 3.399 0.492 -4.194 1.00 61.40 O ATOM 445 CB LYS A 32 4.375 1.791 -6.868 1.00 24.13 C ATOM 446 CG LYS A 32 4.186 1.190 -8.248 1.00 43.05 C ATOM 447 CD LYS A 32 5.232 1.699 -9.227 1.00 25.11 C ATOM 448 CE LYS A 32 6.620 1.188 -8.873 1.00 51.24 C ATOM 449 NZ LYS A 32 7.682 1.893 -9.642 1.00 14.13 N ATOM 0 H LYS A 32 3.631 2.976 -4.345 1.00 54.40 H new ATOM 0 HA LYS A 32 2.245 2.075 -6.779 1.00 52.34 H new ATOM 0 HB2 LYS A 32 4.844 2.770 -6.969 1.00 24.13 H new ATOM 0 HB3 LYS A 32 5.063 1.165 -6.299 1.00 24.13 H new ATOM 0 HG2 LYS A 32 4.245 0.103 -8.184 1.00 43.05 H new ATOM 0 HG3 LYS A 32 3.190 1.434 -8.619 1.00 43.05 H new ATOM 0 HD2 LYS A 32 4.972 1.381 -10.237 1.00 25.11 H new ATOM 0 HD3 LYS A 32 5.233 2.789 -9.226 1.00 25.11 H new ATOM 0 HE2 LYS A 32 6.795 1.322 -7.805 1.00 51.24 H new ATOM 0 HE3 LYS A 32 6.675 0.118 -9.074 1.00 51.24 H new ATOM 0 HZ1 LYS A 32 8.613 1.517 -9.373 1.00 14.13 H new ATOM 0 HZ2 LYS A 32 7.530 1.745 -10.660 1.00 14.13 H new ATOM 0 HZ3 LYS A 32 7.646 2.911 -9.431 1.00 14.13 H new ATOM 459 N LEU A 33 1.930 -0.175 -5.762 1.00 41.14 N ATOM 460 CA LEU A 33 1.595 -1.418 -5.076 1.00 22.35 C ATOM 461 C LEU A 33 1.476 -2.571 -6.066 1.00 62.50 C ATOM 462 O LEU A 33 0.843 -2.441 -7.113 1.00 14.12 O ATOM 463 CB LEU A 33 0.285 -1.258 -4.301 1.00 31.15 C ATOM 464 CG LEU A 33 0.154 -2.090 -3.025 1.00 12.15 C ATOM 465 CD1 LEU A 33 -1.109 -1.711 -2.267 1.00 53.44 C ATOM 466 CD2 LEU A 33 0.154 -3.576 -3.356 1.00 73.53 C ATOM 0 H LEU A 33 1.435 -0.032 -6.642 1.00 41.14 H new ATOM 0 HA LEU A 33 2.399 -1.647 -4.376 1.00 22.35 H new ATOM 0 HB2 LEU A 33 0.167 -0.207 -4.039 1.00 31.15 H new ATOM 0 HB3 LEU A 33 -0.540 -1.515 -4.965 1.00 31.15 H new ATOM 0 HG LEU A 33 1.012 -1.879 -2.387 1.00 12.15 H new ATOM 0 HD11 LEU A 33 -1.185 -2.314 -1.362 1.00 53.44 H new ATOM 0 HD12 LEU A 33 -1.069 -0.656 -1.998 1.00 53.44 H new ATOM 0 HD13 LEU A 33 -1.980 -1.892 -2.897 1.00 53.44 H new ATOM 0 HD21 LEU A 33 0.060 -4.154 -2.436 1.00 73.53 H new ATOM 0 HD22 LEU A 33 -0.685 -3.802 -4.014 1.00 73.53 H new ATOM 0 HD23 LEU A 33 1.087 -3.838 -3.855 1.00 73.53 H new ATOM 477 N ASN A 34 2.085 -3.703 -5.725 1.00 35.34 N ATOM 478 CA ASN A 34 2.045 -4.881 -6.584 1.00 63.13 C ATOM 479 C ASN A 34 1.306 -6.027 -5.900 1.00 71.20 C ATOM 480 O ASN A 34 1.651 -6.428 -4.787 1.00 73.33 O ATOM 481 CB ASN A 34 3.465 -5.320 -6.949 1.00 25.30 C ATOM 482 CG ASN A 34 3.999 -4.594 -8.169 1.00 65.33 C ATOM 483 OD1 ASN A 34 3.917 -3.269 -8.152 1.00 21.12 O flip ATOM 484 ND2 ASN A 34 4.478 -5.219 -9.116 1.00 62.21 N flip ATOM 0 H ASN A 34 2.612 -3.829 -4.861 1.00 35.34 H new ATOM 0 HA ASN A 34 1.508 -4.618 -7.495 1.00 63.13 H new ATOM 0 HB2 ASN A 34 4.127 -5.138 -6.103 1.00 25.30 H new ATOM 0 HB3 ASN A 34 3.474 -6.394 -7.136 1.00 25.30 H new ATOM 0 HD21 ASN A 34 4.521 -6.238 -9.085 1.00 62.21 H new ATOM 0 HD22 ASN A 34 4.832 -4.718 -9.931 1.00 62.21 H new ATOM 490 N THR A 35 0.289 -6.554 -6.575 1.00 2.23 N ATOM 491 CA THR A 35 -0.499 -7.654 -6.033 1.00 72.43 C ATOM 492 C THR A 35 -0.810 -8.689 -7.108 1.00 60.02 C ATOM 493 O THR A 35 -0.403 -8.543 -8.259 1.00 41.35 O ATOM 494 CB THR A 35 -1.821 -7.151 -5.423 1.00 61.42 C ATOM 495 OG1 THR A 35 -2.668 -6.628 -6.453 1.00 31.33 O ATOM 496 CG2 THR A 35 -1.561 -6.076 -4.379 1.00 31.02 C ATOM 0 H THR A 35 -0.008 -6.237 -7.498 1.00 2.23 H new ATOM 0 HA THR A 35 0.101 -8.117 -5.249 1.00 72.43 H new ATOM 0 HB THR A 35 -2.316 -7.993 -4.939 1.00 61.42 H new ATOM 0 HG1 THR A 35 -3.507 -6.312 -6.057 1.00 31.33 H new ATOM 0 HG21 THR A 35 -2.509 -5.736 -3.962 1.00 31.02 H new ATOM 0 HG22 THR A 35 -0.940 -6.485 -3.582 1.00 31.02 H new ATOM 0 HG23 THR A 35 -1.047 -5.235 -4.843 1.00 31.02 H new ATOM 504 N GLY A 36 -1.536 -9.735 -6.724 1.00 60.04 N ATOM 505 CA GLY A 36 -1.890 -10.778 -7.667 1.00 51.14 C ATOM 506 C GLY A 36 -0.713 -11.668 -8.016 1.00 22.03 C ATOM 507 O GLY A 36 -0.009 -12.153 -7.130 1.00 44.20 O ATOM 0 H GLY A 36 -1.885 -9.878 -5.776 1.00 60.04 H new ATOM 0 HA2 GLY A 36 -2.690 -11.387 -7.247 1.00 51.14 H new ATOM 0 HA3 GLY A 36 -2.280 -10.323 -8.577 1.00 51.14 H new ATOM 511 N ARG A 37 -0.499 -11.885 -9.310 1.00 31.30 N ATOM 512 CA ARG A 37 0.598 -12.724 -9.773 1.00 73.04 C ATOM 513 C ARG A 37 1.641 -11.895 -10.517 1.00 22.35 C ATOM 514 O ARG A 37 2.843 -12.138 -10.398 1.00 13.31 O ATOM 515 CB ARG A 37 0.072 -13.834 -10.684 1.00 21.22 C ATOM 516 CG ARG A 37 -0.725 -14.900 -9.949 1.00 12.21 C ATOM 517 CD ARG A 37 0.129 -15.620 -8.916 1.00 22.12 C ATOM 518 NE ARG A 37 -0.423 -16.926 -8.566 1.00 3.24 N ATOM 519 CZ ARG A 37 -0.271 -18.012 -9.315 1.00 25.32 C ATOM 520 NH1 ARG A 37 0.409 -17.949 -10.450 1.00 73.13 N ATOM 521 NH2 ARG A 37 -0.803 -19.165 -8.928 1.00 10.23 N ATOM 0 H ARG A 37 -1.072 -11.491 -10.056 1.00 31.30 H new ATOM 0 HA ARG A 37 1.070 -13.173 -8.899 1.00 73.04 H new ATOM 0 HB2 ARG A 37 -0.556 -13.391 -11.457 1.00 21.22 H new ATOM 0 HB3 ARG A 37 0.914 -14.306 -11.190 1.00 21.22 H new ATOM 0 HG2 ARG A 37 -1.583 -14.441 -9.458 1.00 12.21 H new ATOM 0 HG3 ARG A 37 -1.117 -15.622 -10.666 1.00 12.21 H new ATOM 0 HD2 ARG A 37 1.140 -15.746 -9.305 1.00 22.12 H new ATOM 0 HD3 ARG A 37 0.207 -15.007 -8.018 1.00 22.12 H new ATOM 0 HE ARG A 37 -0.954 -17.008 -7.699 1.00 3.24 H new ATOM 0 HH11 ARG A 37 0.818 -17.064 -10.751 1.00 73.13 H new ATOM 0 HH12 ARG A 37 0.524 -18.785 -11.023 1.00 73.13 H new ATOM 0 HH21 ARG A 37 -1.329 -19.217 -8.055 1.00 10.23 H new ATOM 0 HH22 ARG A 37 -0.686 -19.999 -9.503 1.00 10.23 H new ATOM 532 N THR A 38 1.175 -10.913 -11.283 1.00 3.41 N ATOM 533 CA THR A 38 2.065 -10.050 -12.046 1.00 14.42 C ATOM 534 C THR A 38 1.280 -9.006 -12.832 1.00 3.05 C ATOM 535 O THR A 38 1.773 -7.908 -13.087 1.00 21.44 O ATOM 536 CB THR A 38 2.935 -10.863 -13.023 1.00 35.04 C ATOM 537 OG1 THR A 38 4.060 -10.081 -13.444 1.00 61.13 O ATOM 538 CG2 THR A 38 2.127 -11.296 -14.237 1.00 33.22 C ATOM 0 H THR A 38 0.184 -10.696 -11.391 1.00 3.41 H new ATOM 0 HA THR A 38 2.711 -9.548 -11.326 1.00 14.42 H new ATOM 0 HB THR A 38 3.287 -11.755 -12.505 1.00 35.04 H new ATOM 0 HG1 THR A 38 4.609 -10.605 -14.064 1.00 61.13 H new ATOM 0 HG21 THR A 38 2.763 -11.868 -14.912 1.00 33.22 H new ATOM 0 HG22 THR A 38 1.290 -11.915 -13.915 1.00 33.22 H new ATOM 0 HG23 THR A 38 1.748 -10.415 -14.755 1.00 33.22 H new ATOM 546 N GLU A 39 0.055 -9.357 -13.213 1.00 0.15 N ATOM 547 CA GLU A 39 -0.799 -8.449 -13.970 1.00 14.53 C ATOM 548 C GLU A 39 -1.847 -7.807 -13.066 1.00 4.00 C ATOM 549 O GLU A 39 -2.968 -7.538 -13.494 1.00 63.14 O ATOM 550 CB GLU A 39 -1.485 -9.196 -15.116 1.00 32.13 C ATOM 551 CG GLU A 39 -0.525 -9.671 -16.193 1.00 3.41 C ATOM 552 CD GLU A 39 -1.053 -10.871 -16.957 1.00 32.51 C ATOM 553 OE1 GLU A 39 -1.895 -10.677 -17.858 1.00 20.51 O ATOM 554 OE2 GLU A 39 -0.624 -12.003 -16.653 1.00 74.13 O ATOM 0 H GLU A 39 -0.368 -10.263 -13.010 1.00 0.15 H new ATOM 0 HA GLU A 39 -0.171 -7.660 -14.385 1.00 14.53 H new ATOM 0 HB2 GLU A 39 -2.017 -10.056 -14.711 1.00 32.13 H new ATOM 0 HB3 GLU A 39 -2.232 -8.543 -15.569 1.00 32.13 H new ATOM 0 HG2 GLU A 39 -0.335 -8.855 -16.891 1.00 3.41 H new ATOM 0 HG3 GLU A 39 0.430 -9.928 -15.735 1.00 3.41 H new ATOM 559 N ALA A 40 -1.472 -7.566 -11.814 1.00 54.10 N ATOM 560 CA ALA A 40 -2.378 -6.955 -10.850 1.00 41.44 C ATOM 561 C ALA A 40 -1.774 -5.688 -10.255 1.00 30.03 C ATOM 562 O ALA A 40 -2.439 -4.958 -9.519 1.00 51.23 O ATOM 563 CB ALA A 40 -2.723 -7.946 -9.747 1.00 51.14 C ATOM 0 H ALA A 40 -0.547 -7.785 -11.444 1.00 54.10 H new ATOM 0 HA ALA A 40 -3.293 -6.679 -11.374 1.00 41.44 H new ATOM 0 HB1 ALA A 40 -3.400 -7.476 -9.034 1.00 51.14 H new ATOM 0 HB2 ALA A 40 -3.205 -8.822 -10.182 1.00 51.14 H new ATOM 0 HB3 ALA A 40 -1.811 -8.251 -9.234 1.00 51.14 H new ATOM 569 N TRP A 41 -0.511 -5.433 -10.576 1.00 2.20 N ATOM 570 CA TRP A 41 0.183 -4.254 -10.072 1.00 42.21 C ATOM 571 C TRP A 41 -0.520 -2.977 -10.517 1.00 22.54 C ATOM 572 O TRP A 41 -0.827 -2.804 -11.697 1.00 24.44 O ATOM 573 CB TRP A 41 1.635 -4.247 -10.554 1.00 23.31 C ATOM 574 CG TRP A 41 1.774 -3.946 -12.015 1.00 73.42 C ATOM 575 CD1 TRP A 41 1.080 -4.522 -13.040 1.00 52.22 C ATOM 576 CD2 TRP A 41 2.663 -2.995 -12.614 1.00 4.34 C ATOM 577 NE1 TRP A 41 1.485 -3.988 -14.241 1.00 74.32 N ATOM 578 CE2 TRP A 41 2.455 -3.049 -14.006 1.00 64.43 C ATOM 579 CE3 TRP A 41 3.613 -2.104 -12.109 1.00 11.53 C ATOM 580 CZ2 TRP A 41 3.162 -2.245 -14.896 1.00 22.32 C ATOM 581 CZ3 TRP A 41 4.315 -1.307 -12.993 1.00 12.55 C ATOM 582 CH2 TRP A 41 4.087 -1.382 -14.374 1.00 51.02 C ATOM 0 H TRP A 41 0.054 -6.027 -11.183 1.00 2.20 H new ATOM 0 HA TRP A 41 0.169 -4.293 -8.983 1.00 42.21 H new ATOM 0 HB2 TRP A 41 2.196 -3.507 -9.983 1.00 23.31 H new ATOM 0 HB3 TRP A 41 2.084 -5.218 -10.346 1.00 23.31 H new ATOM 0 HD1 TRP A 41 0.324 -5.285 -12.925 1.00 52.22 H new ATOM 0 HE1 TRP A 41 1.122 -4.249 -15.158 1.00 74.32 H new ATOM 0 HE3 TRP A 41 3.796 -2.039 -11.047 1.00 11.53 H new ATOM 0 HZ2 TRP A 41 2.987 -2.300 -15.960 1.00 22.32 H new ATOM 0 HZ3 TRP A 41 5.052 -0.615 -12.613 1.00 12.55 H new ATOM 0 HH2 TRP A 41 4.652 -0.746 -15.039 1.00 51.02 H new ATOM 592 N LYS A 42 -0.772 -2.083 -9.567 1.00 20.43 N ATOM 593 CA LYS A 42 -1.439 -0.819 -9.860 1.00 40.33 C ATOM 594 C LYS A 42 -0.685 0.351 -9.238 1.00 23.33 C ATOM 595 O LYS A 42 0.010 0.190 -8.234 1.00 23.22 O ATOM 596 CB LYS A 42 -2.879 -0.846 -9.345 1.00 30.05 C ATOM 597 CG LYS A 42 -2.980 -0.950 -7.832 1.00 61.20 C ATOM 598 CD LYS A 42 -2.834 -2.386 -7.359 1.00 60.25 C ATOM 599 CE LYS A 42 -3.548 -2.612 -6.035 1.00 12.01 C ATOM 600 NZ LYS A 42 -3.225 -1.551 -5.042 1.00 74.14 N ATOM 0 H LYS A 42 -0.524 -2.210 -8.586 1.00 20.43 H new ATOM 0 HA LYS A 42 -1.451 -0.686 -10.942 1.00 40.33 H new ATOM 0 HB2 LYS A 42 -3.391 0.058 -9.674 1.00 30.05 H new ATOM 0 HB3 LYS A 42 -3.402 -1.690 -9.795 1.00 30.05 H new ATOM 0 HG2 LYS A 42 -2.207 -0.335 -7.372 1.00 61.20 H new ATOM 0 HG3 LYS A 42 -3.941 -0.554 -7.503 1.00 61.20 H new ATOM 0 HD2 LYS A 42 -3.240 -3.061 -8.112 1.00 60.25 H new ATOM 0 HD3 LYS A 42 -1.777 -2.628 -7.250 1.00 60.25 H new ATOM 0 HE2 LYS A 42 -4.625 -2.637 -6.203 1.00 12.01 H new ATOM 0 HE3 LYS A 42 -3.266 -3.585 -5.632 1.00 12.01 H new ATOM 0 HZ1 LYS A 42 -3.620 -1.811 -4.116 1.00 74.14 H new ATOM 0 HZ2 LYS A 42 -2.193 -1.452 -4.963 1.00 74.14 H new ATOM 0 HZ3 LYS A 42 -3.637 -0.648 -5.353 1.00 74.14 H new ATOM 610 N VAL A 43 -0.828 1.528 -9.838 1.00 2.24 N ATOM 611 CA VAL A 43 -0.164 2.726 -9.339 1.00 13.54 C ATOM 612 C VAL A 43 -1.072 3.507 -8.396 1.00 41.53 C ATOM 613 O VAL A 43 -2.170 3.918 -8.772 1.00 4.45 O ATOM 614 CB VAL A 43 0.272 3.647 -10.494 1.00 51.22 C ATOM 615 CG1 VAL A 43 0.995 4.872 -9.956 1.00 14.34 C ATOM 616 CG2 VAL A 43 1.151 2.888 -11.478 1.00 13.22 C ATOM 0 H VAL A 43 -1.398 1.678 -10.671 1.00 2.24 H new ATOM 0 HA VAL A 43 0.720 2.394 -8.794 1.00 13.54 H new ATOM 0 HB VAL A 43 -0.619 3.984 -11.023 1.00 51.22 H new ATOM 0 HG11 VAL A 43 1.296 5.511 -10.786 1.00 14.34 H new ATOM 0 HG12 VAL A 43 0.329 5.426 -9.294 1.00 14.34 H new ATOM 0 HG13 VAL A 43 1.879 4.558 -9.401 1.00 14.34 H new ATOM 0 HG21 VAL A 43 1.450 3.554 -12.288 1.00 13.22 H new ATOM 0 HG22 VAL A 43 2.039 2.520 -10.964 1.00 13.22 H new ATOM 0 HG23 VAL A 43 0.594 2.045 -11.888 1.00 13.22 H new ATOM 626 N LEU A 44 -0.606 3.708 -7.168 1.00 55.00 N ATOM 627 CA LEU A 44 -1.376 4.442 -6.169 1.00 51.44 C ATOM 628 C LEU A 44 -1.066 5.934 -6.230 1.00 70.45 C ATOM 629 O LEU A 44 0.062 6.333 -6.518 1.00 41.44 O ATOM 630 CB LEU A 44 -1.075 3.904 -4.769 1.00 75.42 C ATOM 631 CG LEU A 44 -1.865 2.667 -4.341 1.00 30.24 C ATOM 632 CD1 LEU A 44 -3.354 2.977 -4.288 1.00 14.23 C ATOM 633 CD2 LEU A 44 -1.594 1.507 -5.287 1.00 15.51 C ATOM 0 H LEU A 44 0.300 3.374 -6.840 1.00 55.00 H new ATOM 0 HA LEU A 44 -2.435 4.301 -6.387 1.00 51.44 H new ATOM 0 HB2 LEU A 44 -0.012 3.669 -4.713 1.00 75.42 H new ATOM 0 HB3 LEU A 44 -1.264 4.699 -4.048 1.00 75.42 H new ATOM 0 HG LEU A 44 -1.538 2.379 -3.342 1.00 30.24 H new ATOM 0 HD11 LEU A 44 -3.901 2.085 -3.982 1.00 14.23 H new ATOM 0 HD12 LEU A 44 -3.534 3.777 -3.570 1.00 14.23 H new ATOM 0 HD13 LEU A 44 -3.696 3.291 -5.274 1.00 14.23 H new ATOM 0 HD21 LEU A 44 -2.165 0.635 -4.967 1.00 15.51 H new ATOM 0 HD22 LEU A 44 -1.892 1.785 -6.298 1.00 15.51 H new ATOM 0 HD23 LEU A 44 -0.530 1.269 -5.275 1.00 15.51 H new ATOM 644 N SER A 45 -2.075 6.754 -5.956 1.00 25.23 N ATOM 645 CA SER A 45 -1.911 8.203 -5.980 1.00 74.15 C ATOM 646 C SER A 45 -2.394 8.827 -4.673 1.00 53.41 C ATOM 647 O SER A 45 -3.124 8.214 -3.896 1.00 44.04 O ATOM 648 CB SER A 45 -2.680 8.804 -7.159 1.00 0.40 C ATOM 649 OG SER A 45 -3.754 7.965 -7.549 1.00 32.13 O ATOM 0 H SER A 45 -3.015 6.440 -5.715 1.00 25.23 H new ATOM 0 HA SER A 45 -0.850 8.422 -6.097 1.00 74.15 H new ATOM 0 HB2 SER A 45 -3.063 9.787 -6.884 1.00 0.40 H new ATOM 0 HB3 SER A 45 -2.004 8.950 -8.002 1.00 0.40 H new ATOM 0 HG SER A 45 -4.230 8.372 -8.303 1.00 32.13 H new ATOM 654 N PRO A 46 -1.973 10.077 -4.425 1.00 62.14 N ATOM 655 CA PRO A 46 -2.349 10.813 -3.215 1.00 12.04 C ATOM 656 C PRO A 46 -3.823 11.201 -3.208 1.00 65.23 C ATOM 657 O PRO A 46 -4.307 11.818 -2.258 1.00 41.54 O ATOM 658 CB PRO A 46 -1.467 12.062 -3.270 1.00 42.35 C ATOM 659 CG PRO A 46 -1.166 12.249 -4.718 1.00 60.03 C ATOM 660 CD PRO A 46 -1.099 10.867 -5.309 1.00 23.21 C ATOM 0 HA PRO A 46 -2.208 10.215 -2.314 1.00 12.04 H new ATOM 0 HB2 PRO A 46 -1.982 12.929 -2.857 1.00 42.35 H new ATOM 0 HB3 PRO A 46 -0.554 11.928 -2.690 1.00 42.35 H new ATOM 0 HG2 PRO A 46 -1.939 12.844 -5.204 1.00 60.03 H new ATOM 0 HG3 PRO A 46 -0.223 12.778 -4.855 1.00 60.03 H new ATOM 0 HD2 PRO A 46 -1.452 10.853 -6.340 1.00 23.21 H new ATOM 0 HD3 PRO A 46 -0.079 10.481 -5.316 1.00 23.21 H new ATOM 665 N GLN A 47 -4.533 10.838 -4.272 1.00 4.43 N ATOM 666 CA GLN A 47 -5.953 11.149 -4.386 1.00 35.00 C ATOM 667 C GLN A 47 -6.682 10.080 -5.192 1.00 0.54 C ATOM 668 O GLN A 47 -6.801 10.181 -6.412 1.00 33.34 O ATOM 669 CB GLN A 47 -6.145 12.518 -5.041 1.00 11.52 C ATOM 670 CG GLN A 47 -6.660 13.583 -4.088 1.00 21.14 C ATOM 671 CD GLN A 47 -8.175 13.642 -4.043 1.00 10.42 C ATOM 672 OE1 GLN A 47 -8.785 14.596 -4.527 1.00 15.20 O ATOM 673 NE2 GLN A 47 -8.791 12.619 -3.462 1.00 42.13 N ATOM 0 H GLN A 47 -4.148 10.328 -5.067 1.00 4.43 H new ATOM 0 HA GLN A 47 -6.376 11.171 -3.382 1.00 35.00 H new ATOM 0 HB2 GLN A 47 -5.194 12.847 -5.460 1.00 11.52 H new ATOM 0 HB3 GLN A 47 -6.843 12.419 -5.872 1.00 11.52 H new ATOM 0 HG2 GLN A 47 -6.278 13.385 -3.087 1.00 21.14 H new ATOM 0 HG3 GLN A 47 -6.271 14.555 -4.391 1.00 21.14 H new ATOM 0 HE21 GLN A 47 -8.246 11.849 -3.074 1.00 42.13 H new ATOM 0 HE22 GLN A 47 -9.809 12.603 -3.404 1.00 42.13 H new ATOM 680 N GLY A 48 -7.167 9.053 -4.500 1.00 73.24 N ATOM 681 CA GLY A 48 -7.878 7.979 -5.170 1.00 10.13 C ATOM 682 C GLY A 48 -9.200 8.434 -5.754 1.00 20.42 C ATOM 683 O GLY A 48 -9.521 8.123 -6.900 1.00 63.34 O ATOM 0 H GLY A 48 -7.081 8.946 -3.489 1.00 73.24 H new ATOM 0 HA2 GLY A 48 -7.253 7.575 -5.966 1.00 10.13 H new ATOM 0 HA3 GLY A 48 -8.056 7.169 -4.463 1.00 10.13 H new ATOM 687 N GLY A 49 -9.972 9.174 -4.964 1.00 13.15 N ATOM 688 CA GLY A 49 -11.259 9.660 -5.425 1.00 32.34 C ATOM 689 C GLY A 49 -12.011 8.624 -6.237 1.00 75.44 C ATOM 690 O GLY A 49 -12.663 8.956 -7.228 1.00 10.22 O ATOM 0 H GLY A 49 -9.728 9.446 -4.012 1.00 13.15 H new ATOM 0 HA2 GLY A 49 -11.863 9.953 -4.566 1.00 32.34 H new ATOM 0 HA3 GLY A 49 -11.111 10.554 -6.030 1.00 32.34 H new ATOM 694 N GLY A 50 -11.920 7.365 -5.820 1.00 62.44 N ATOM 695 CA GLY A 50 -12.602 6.298 -6.529 1.00 11.34 C ATOM 696 C GLY A 50 -13.206 5.273 -5.590 1.00 31.10 C ATOM 697 O GLY A 50 -13.386 5.521 -4.398 1.00 12.44 O ATOM 0 H GLY A 50 -11.386 7.065 -5.004 1.00 62.44 H new ATOM 0 HA2 GLY A 50 -13.389 6.724 -7.152 1.00 11.34 H new ATOM 0 HA3 GLY A 50 -11.899 5.803 -7.199 1.00 11.34 H new ATOM 701 N PRO A 51 -13.531 4.089 -6.131 1.00 40.14 N ATOM 702 CA PRO A 51 -14.126 2.999 -5.351 1.00 75.33 C ATOM 703 C PRO A 51 -13.138 2.387 -4.364 1.00 1.22 C ATOM 704 O PRO A 51 -12.083 1.888 -4.758 1.00 41.41 O ATOM 705 CB PRO A 51 -14.521 1.974 -6.417 1.00 74.34 C ATOM 706 CG PRO A 51 -13.601 2.242 -7.559 1.00 64.41 C ATOM 707 CD PRO A 51 -13.345 3.724 -7.545 1.00 44.33 C ATOM 0 HA PRO A 51 -14.961 3.343 -4.741 1.00 75.33 H new ATOM 0 HB2 PRO A 51 -14.407 0.955 -6.048 1.00 74.34 H new ATOM 0 HB3 PRO A 51 -15.564 2.092 -6.712 1.00 74.34 H new ATOM 0 HG2 PRO A 51 -12.671 1.684 -7.450 1.00 64.41 H new ATOM 0 HG3 PRO A 51 -14.050 1.932 -8.503 1.00 64.41 H new ATOM 0 HD2 PRO A 51 -12.339 3.961 -7.892 1.00 44.33 H new ATOM 0 HD3 PRO A 51 -14.040 4.258 -8.193 1.00 44.33 H new ATOM 712 N TRP A 52 -13.486 2.428 -3.083 1.00 52.24 N ATOM 713 CA TRP A 52 -12.628 1.876 -2.041 1.00 74.32 C ATOM 714 C TRP A 52 -12.830 0.371 -1.910 1.00 14.42 C ATOM 715 O TRP A 52 -11.887 -0.368 -1.627 1.00 42.14 O ATOM 716 CB TRP A 52 -12.914 2.560 -0.703 1.00 4.25 C ATOM 717 CG TRP A 52 -14.351 2.473 -0.286 1.00 5.52 C ATOM 718 CD1 TRP A 52 -14.939 1.463 0.423 1.00 14.53 C ATOM 719 CD2 TRP A 52 -15.381 3.430 -0.553 1.00 51.35 C ATOM 720 NE1 TRP A 52 -16.271 1.736 0.611 1.00 44.12 N ATOM 721 CE2 TRP A 52 -16.568 2.937 0.023 1.00 71.45 C ATOM 722 CE3 TRP A 52 -15.416 4.656 -1.222 1.00 2.34 C ATOM 723 CZ2 TRP A 52 -17.774 3.629 -0.052 1.00 5.02 C ATOM 724 CZ3 TRP A 52 -16.612 5.342 -1.295 1.00 63.44 C ATOM 725 CH2 TRP A 52 -17.779 4.828 -0.713 1.00 4.52 C ATOM 0 H TRP A 52 -14.355 2.837 -2.741 1.00 52.24 H new ATOM 0 HA TRP A 52 -11.591 2.061 -2.322 1.00 74.32 H new ATOM 0 HB2 TRP A 52 -12.291 2.107 0.069 1.00 4.25 H new ATOM 0 HB3 TRP A 52 -12.626 3.609 -0.771 1.00 4.25 H new ATOM 0 HD1 TRP A 52 -14.431 0.580 0.782 1.00 14.53 H new ATOM 0 HE1 TRP A 52 -16.933 1.140 1.108 1.00 44.12 H new ATOM 0 HE3 TRP A 52 -14.523 5.060 -1.674 1.00 2.34 H new ATOM 0 HZ2 TRP A 52 -18.674 3.234 0.396 1.00 5.02 H new ATOM 0 HZ3 TRP A 52 -16.649 6.291 -1.809 1.00 63.44 H new ATOM 0 HH2 TRP A 52 -18.699 5.388 -0.787 1.00 4.52 H new ATOM 735 N ASP A 53 -14.062 -0.077 -2.120 1.00 25.25 N ATOM 736 CA ASP A 53 -14.387 -1.496 -2.026 1.00 74.40 C ATOM 737 C ASP A 53 -13.628 -2.296 -3.080 1.00 52.04 C ATOM 738 O ASP A 53 -13.377 -3.489 -2.906 1.00 43.41 O ATOM 739 CB ASP A 53 -15.893 -1.708 -2.192 1.00 11.32 C ATOM 740 CG ASP A 53 -16.305 -3.146 -1.941 1.00 0.20 C ATOM 741 OD1 ASP A 53 -15.929 -3.695 -0.885 1.00 13.34 O ATOM 742 OD2 ASP A 53 -17.003 -3.722 -2.802 1.00 53.33 O ATOM 0 H ASP A 53 -14.853 0.522 -2.357 1.00 25.25 H new ATOM 0 HA ASP A 53 -14.086 -1.850 -1.040 1.00 74.40 H new ATOM 0 HB2 ASP A 53 -16.427 -1.054 -1.503 1.00 11.32 H new ATOM 0 HB3 ASP A 53 -16.189 -1.419 -3.200 1.00 11.32 H new ATOM 746 N SER A 54 -13.269 -1.633 -4.175 1.00 10.41 N ATOM 747 CA SER A 54 -12.542 -2.284 -5.259 1.00 23.11 C ATOM 748 C SER A 54 -11.050 -2.354 -4.950 1.00 63.13 C ATOM 749 O SER A 54 -10.418 -3.397 -5.112 1.00 65.22 O ATOM 750 CB SER A 54 -12.769 -1.535 -6.574 1.00 42.41 C ATOM 751 OG SER A 54 -13.533 -2.315 -7.480 1.00 34.35 O ATOM 0 H SER A 54 -13.470 -0.646 -4.335 1.00 10.41 H new ATOM 0 HA SER A 54 -12.921 -3.301 -5.358 1.00 23.11 H new ATOM 0 HB2 SER A 54 -13.283 -0.594 -6.376 1.00 42.41 H new ATOM 0 HB3 SER A 54 -11.808 -1.285 -7.025 1.00 42.41 H new ATOM 0 HG SER A 54 -13.666 -1.814 -8.312 1.00 34.35 H new ATOM 756 N VAL A 55 -10.492 -1.232 -4.504 1.00 31.34 N ATOM 757 CA VAL A 55 -9.074 -1.164 -4.171 1.00 22.40 C ATOM 758 C VAL A 55 -8.864 -0.565 -2.784 1.00 4.23 C ATOM 759 O VAL A 55 -9.004 -1.252 -1.773 1.00 2.21 O ATOM 760 CB VAL A 55 -8.295 -0.327 -5.202 1.00 63.44 C ATOM 761 CG1 VAL A 55 -7.825 -1.201 -6.355 1.00 5.05 C ATOM 762 CG2 VAL A 55 -9.151 0.824 -5.711 1.00 4.31 C ATOM 0 H VAL A 55 -11.000 -0.359 -4.365 1.00 31.34 H new ATOM 0 HA VAL A 55 -8.696 -2.186 -4.184 1.00 22.40 H new ATOM 0 HB VAL A 55 -7.416 0.092 -4.713 1.00 63.44 H new ATOM 0 HG11 VAL A 55 -7.276 -0.592 -7.073 1.00 5.05 H new ATOM 0 HG12 VAL A 55 -7.173 -1.987 -5.974 1.00 5.05 H new ATOM 0 HG13 VAL A 55 -8.688 -1.651 -6.845 1.00 5.05 H new ATOM 0 HG21 VAL A 55 -8.584 1.405 -6.439 1.00 4.31 H new ATOM 0 HG22 VAL A 55 -10.050 0.428 -6.184 1.00 4.31 H new ATOM 0 HG23 VAL A 55 -9.433 1.465 -4.876 1.00 4.31 H new ATOM 772 N ALA A 56 -8.528 0.720 -2.745 1.00 33.11 N ATOM 773 CA ALA A 56 -8.300 1.411 -1.483 1.00 61.33 C ATOM 774 C ALA A 56 -8.232 2.921 -1.689 1.00 15.10 C ATOM 775 O ALA A 56 -8.241 3.404 -2.821 1.00 45.32 O ATOM 776 CB ALA A 56 -7.023 0.908 -0.827 1.00 63.13 C ATOM 0 H ALA A 56 -8.408 1.303 -3.573 1.00 33.11 H new ATOM 0 HA ALA A 56 -9.141 1.197 -0.824 1.00 61.33 H new ATOM 0 HB1 ALA A 56 -6.866 1.434 0.115 1.00 63.13 H new ATOM 0 HB2 ALA A 56 -7.109 -0.162 -0.636 1.00 63.13 H new ATOM 0 HB3 ALA A 56 -6.177 1.091 -1.490 1.00 63.13 H new ATOM 782 N ARG A 57 -8.161 3.662 -0.587 1.00 45.31 N ATOM 783 CA ARG A 57 -8.093 5.115 -0.647 1.00 74.22 C ATOM 784 C ARG A 57 -6.851 5.632 0.073 1.00 51.24 C ATOM 785 O ARG A 57 -6.274 4.939 0.911 1.00 31.11 O ATOM 786 CB ARG A 57 -9.348 5.733 -0.028 1.00 51.25 C ATOM 787 CG ARG A 57 -10.643 5.118 -0.534 1.00 13.44 C ATOM 788 CD ARG A 57 -10.832 5.364 -2.022 1.00 42.33 C ATOM 789 NE ARG A 57 -10.898 6.788 -2.337 1.00 72.20 N ATOM 790 CZ ARG A 57 -11.920 7.568 -2.007 1.00 71.12 C ATOM 791 NH1 ARG A 57 -12.959 7.065 -1.355 1.00 22.33 N ATOM 792 NH2 ARG A 57 -11.906 8.856 -2.329 1.00 4.12 N ATOM 0 H ARG A 57 -8.149 3.278 0.358 1.00 45.31 H new ATOM 0 HA ARG A 57 -8.032 5.407 -1.696 1.00 74.22 H new ATOM 0 HB2 ARG A 57 -9.301 5.621 1.055 1.00 51.25 H new ATOM 0 HB3 ARG A 57 -9.357 6.803 -0.238 1.00 51.25 H new ATOM 0 HG2 ARG A 57 -10.638 4.046 -0.339 1.00 13.44 H new ATOM 0 HG3 ARG A 57 -11.486 5.538 0.015 1.00 13.44 H new ATOM 0 HD2 ARG A 57 -10.008 4.909 -2.572 1.00 42.33 H new ATOM 0 HD3 ARG A 57 -11.747 4.876 -2.357 1.00 42.33 H new ATOM 0 HE ARG A 57 -10.115 7.207 -2.839 1.00 72.20 H new ATOM 0 HH11 ARG A 57 -12.974 6.076 -1.106 1.00 22.33 H new ATOM 0 HH12 ARG A 57 -13.743 7.667 -1.103 1.00 22.33 H new ATOM 0 HH21 ARG A 57 -11.109 9.248 -2.831 1.00 4.12 H new ATOM 0 HH22 ARG A 57 -12.692 9.454 -2.075 1.00 4.12 H new ATOM 803 N VAL A 58 -6.444 6.853 -0.260 1.00 72.42 N ATOM 804 CA VAL A 58 -5.271 7.462 0.355 1.00 62.52 C ATOM 805 C VAL A 58 -5.670 8.585 1.308 1.00 43.31 C ATOM 806 O VAL A 58 -6.449 9.469 0.950 1.00 45.12 O ATOM 807 CB VAL A 58 -4.308 8.023 -0.707 1.00 31.30 C ATOM 808 CG1 VAL A 58 -3.336 9.011 -0.079 1.00 52.31 C ATOM 809 CG2 VAL A 58 -3.560 6.893 -1.398 1.00 45.21 C ATOM 0 H VAL A 58 -6.910 7.440 -0.952 1.00 72.42 H new ATOM 0 HA VAL A 58 -4.764 6.677 0.916 1.00 62.52 H new ATOM 0 HB VAL A 58 -4.893 8.554 -1.458 1.00 31.30 H new ATOM 0 HG11 VAL A 58 -2.663 9.397 -0.845 1.00 52.31 H new ATOM 0 HG12 VAL A 58 -3.892 9.837 0.365 1.00 52.31 H new ATOM 0 HG13 VAL A 58 -2.755 8.508 0.694 1.00 52.31 H new ATOM 0 HG21 VAL A 58 -2.884 7.308 -2.146 1.00 45.21 H new ATOM 0 HG22 VAL A 58 -2.986 6.332 -0.660 1.00 45.21 H new ATOM 0 HG23 VAL A 58 -4.274 6.228 -1.884 1.00 45.21 H new ATOM 819 N LEU A 59 -5.131 8.544 2.521 1.00 53.30 N ATOM 820 CA LEU A 59 -5.429 9.558 3.525 1.00 21.41 C ATOM 821 C LEU A 59 -4.821 10.903 3.139 1.00 3.11 C ATOM 822 O LEU A 59 -3.867 10.980 2.365 1.00 70.43 O ATOM 823 CB LEU A 59 -4.903 9.121 4.893 1.00 44.52 C ATOM 824 CG LEU A 59 -5.715 8.043 5.613 1.00 74.23 C ATOM 825 CD1 LEU A 59 -4.967 7.538 6.836 1.00 51.43 C ATOM 826 CD2 LEU A 59 -7.083 8.583 6.008 1.00 51.15 C ATOM 0 H LEU A 59 -4.485 7.819 2.833 1.00 53.30 H new ATOM 0 HA LEU A 59 -6.512 9.672 3.579 1.00 21.41 H new ATOM 0 HB2 LEU A 59 -3.883 8.756 4.768 1.00 44.52 H new ATOM 0 HB3 LEU A 59 -4.851 9.999 5.537 1.00 44.52 H new ATOM 0 HG LEU A 59 -5.859 7.206 4.930 1.00 74.23 H new ATOM 0 HD11 LEU A 59 -5.561 6.772 7.335 1.00 51.43 H new ATOM 0 HD12 LEU A 59 -4.011 7.114 6.528 1.00 51.43 H new ATOM 0 HD13 LEU A 59 -4.792 8.366 7.523 1.00 51.43 H new ATOM 0 HD21 LEU A 59 -7.648 7.804 6.519 1.00 51.15 H new ATOM 0 HD22 LEU A 59 -6.959 9.437 6.674 1.00 51.15 H new ATOM 0 HD23 LEU A 59 -7.623 8.895 5.114 1.00 51.15 H new ATOM 837 N PRO A 60 -5.383 11.988 3.694 1.00 53.53 N ATOM 838 CA PRO A 60 -4.910 13.348 3.424 1.00 31.51 C ATOM 839 C PRO A 60 -3.542 13.620 4.042 1.00 65.23 C ATOM 840 O PRO A 60 -2.824 14.520 3.610 1.00 24.14 O ATOM 841 CB PRO A 60 -5.976 14.230 4.078 1.00 41.11 C ATOM 842 CG PRO A 60 -6.570 13.379 5.146 1.00 42.01 C ATOM 843 CD PRO A 60 -6.523 11.969 4.626 1.00 71.42 C ATOM 0 HA PRO A 60 -4.781 13.530 2.357 1.00 31.51 H new ATOM 0 HB2 PRO A 60 -5.538 15.138 4.493 1.00 41.11 H new ATOM 0 HB3 PRO A 60 -6.730 14.541 3.355 1.00 41.11 H new ATOM 0 HG2 PRO A 60 -6.008 13.471 6.076 1.00 42.01 H new ATOM 0 HG3 PRO A 60 -7.595 13.682 5.361 1.00 42.01 H new ATOM 0 HD2 PRO A 60 -6.373 11.249 5.430 1.00 71.42 H new ATOM 0 HD3 PRO A 60 -7.450 11.695 4.122 1.00 71.42 H new ATOM 848 N ASN A 61 -3.190 12.836 5.056 1.00 40.54 N ATOM 849 CA ASN A 61 -1.909 12.992 5.733 1.00 52.41 C ATOM 850 C ASN A 61 -0.805 12.247 4.988 1.00 53.35 C ATOM 851 O ASN A 61 0.350 12.237 5.415 1.00 44.44 O ATOM 852 CB ASN A 61 -2.002 12.479 7.172 1.00 72.42 C ATOM 853 CG ASN A 61 -2.873 11.244 7.289 1.00 50.11 C ATOM 854 OD1 ASN A 61 -4.099 11.327 7.224 1.00 63.41 O ATOM 855 ND2 ASN A 61 -2.239 10.090 7.465 1.00 63.04 N ATOM 0 H ASN A 61 -3.774 12.087 5.426 1.00 40.54 H new ATOM 0 HA ASN A 61 -1.662 14.054 5.747 1.00 52.41 H new ATOM 0 HB2 ASN A 61 -1.001 12.251 7.539 1.00 72.42 H new ATOM 0 HB3 ASN A 61 -2.404 13.266 7.810 1.00 72.42 H new ATOM 0 HD21 ASN A 61 -2.771 9.224 7.552 1.00 63.04 H new ATOM 0 HD22 ASN A 61 -1.220 10.070 7.513 1.00 63.04 H new ATOM 861 N GLY A 62 -1.167 11.626 3.870 1.00 71.40 N ATOM 862 CA GLY A 62 -0.197 10.889 3.082 1.00 62.24 C ATOM 863 C GLY A 62 -0.108 9.431 3.489 1.00 51.21 C ATOM 864 O GLY A 62 0.960 8.825 3.418 1.00 2.23 O ATOM 0 H GLY A 62 -2.116 11.620 3.496 1.00 71.40 H new ATOM 0 HA2 GLY A 62 -0.466 10.953 2.028 1.00 62.24 H new ATOM 0 HA3 GLY A 62 0.783 11.354 3.190 1.00 62.24 H new ATOM 868 N SER A 63 -1.233 8.869 3.918 1.00 21.34 N ATOM 869 CA SER A 63 -1.276 7.475 4.344 1.00 62.24 C ATOM 870 C SER A 63 -2.168 6.651 3.419 1.00 25.55 C ATOM 871 O SER A 63 -2.753 7.178 2.472 1.00 65.01 O ATOM 872 CB SER A 63 -1.784 7.374 5.783 1.00 4.34 C ATOM 873 OG SER A 63 -0.717 7.479 6.709 1.00 5.13 O ATOM 0 H SER A 63 -2.127 9.357 3.980 1.00 21.34 H new ATOM 0 HA SER A 63 -0.263 7.075 4.295 1.00 62.24 H new ATOM 0 HB2 SER A 63 -2.512 8.163 5.971 1.00 4.34 H new ATOM 0 HB3 SER A 63 -2.300 6.424 5.924 1.00 4.34 H new ATOM 0 HG SER A 63 -1.068 7.413 7.622 1.00 5.13 H new ATOM 878 N LEU A 64 -2.268 5.357 3.701 1.00 30.20 N ATOM 879 CA LEU A 64 -3.088 4.460 2.895 1.00 22.55 C ATOM 880 C LEU A 64 -4.025 3.640 3.778 1.00 61.24 C ATOM 881 O LEU A 64 -3.592 3.005 4.739 1.00 23.32 O ATOM 882 CB LEU A 64 -2.200 3.527 2.071 1.00 5.15 C ATOM 883 CG LEU A 64 -2.898 2.325 1.435 1.00 51.51 C ATOM 884 CD1 LEU A 64 -4.034 2.782 0.533 1.00 23.32 C ATOM 885 CD2 LEU A 64 -1.901 1.482 0.652 1.00 0.11 C ATOM 0 H LEU A 64 -1.791 4.905 4.482 1.00 30.20 H new ATOM 0 HA LEU A 64 -3.691 5.067 2.220 1.00 22.55 H new ATOM 0 HB2 LEU A 64 -1.731 4.110 1.279 1.00 5.15 H new ATOM 0 HB3 LEU A 64 -1.399 3.159 2.713 1.00 5.15 H new ATOM 0 HG LEU A 64 -3.318 1.711 2.231 1.00 51.51 H new ATOM 0 HD11 LEU A 64 -4.519 1.912 0.089 1.00 23.32 H new ATOM 0 HD12 LEU A 64 -4.761 3.343 1.120 1.00 23.32 H new ATOM 0 HD13 LEU A 64 -3.637 3.419 -0.258 1.00 23.32 H new ATOM 0 HD21 LEU A 64 -2.415 0.631 0.206 1.00 0.11 H new ATOM 0 HD22 LEU A 64 -1.452 2.087 -0.135 1.00 0.11 H new ATOM 0 HD23 LEU A 64 -1.121 1.123 1.324 1.00 0.11 H new ATOM 896 N PHE A 65 -5.311 3.657 3.442 1.00 60.43 N ATOM 897 CA PHE A 65 -6.310 2.915 4.203 1.00 60.53 C ATOM 898 C PHE A 65 -7.128 2.010 3.286 1.00 14.34 C ATOM 899 O PHE A 65 -7.538 2.414 2.199 1.00 32.31 O ATOM 900 CB PHE A 65 -7.237 3.881 4.945 1.00 64.23 C ATOM 901 CG PHE A 65 -8.428 3.209 5.566 1.00 13.31 C ATOM 902 CD1 PHE A 65 -9.596 3.032 4.841 1.00 4.41 C ATOM 903 CD2 PHE A 65 -8.380 2.753 6.873 1.00 54.41 C ATOM 904 CE1 PHE A 65 -10.694 2.414 5.410 1.00 33.21 C ATOM 905 CE2 PHE A 65 -9.474 2.134 7.448 1.00 72.31 C ATOM 906 CZ PHE A 65 -10.633 1.964 6.715 1.00 50.34 C ATOM 0 H PHE A 65 -5.686 4.176 2.648 1.00 60.43 H new ATOM 0 HA PHE A 65 -5.789 2.292 4.930 1.00 60.53 H new ATOM 0 HB2 PHE A 65 -6.670 4.390 5.724 1.00 64.23 H new ATOM 0 HB3 PHE A 65 -7.583 4.646 4.250 1.00 64.23 H new ATOM 0 HD1 PHE A 65 -9.649 3.381 3.820 1.00 4.41 H new ATOM 0 HD2 PHE A 65 -7.476 2.883 7.450 1.00 54.41 H new ATOM 0 HE1 PHE A 65 -11.599 2.283 4.835 1.00 33.21 H new ATOM 0 HE2 PHE A 65 -9.423 1.784 8.468 1.00 72.31 H new ATOM 0 HZ PHE A 65 -11.489 1.480 7.161 1.00 50.34 H new ATOM 915 N LEU A 66 -7.360 0.781 3.735 1.00 3.10 N ATOM 916 CA LEU A 66 -8.128 -0.185 2.958 1.00 44.23 C ATOM 917 C LEU A 66 -9.388 -0.608 3.705 1.00 62.54 C ATOM 918 O LEU A 66 -9.350 -0.973 4.880 1.00 23.52 O ATOM 919 CB LEU A 66 -7.271 -1.414 2.644 1.00 62.43 C ATOM 920 CG LEU A 66 -6.072 -1.179 1.725 1.00 52.15 C ATOM 921 CD1 LEU A 66 -4.771 -1.358 2.490 1.00 74.20 C ATOM 922 CD2 LEU A 66 -6.124 -2.119 0.529 1.00 63.24 C ATOM 0 H LEU A 66 -7.027 0.430 4.633 1.00 3.10 H new ATOM 0 HA LEU A 66 -8.425 0.292 2.024 1.00 44.23 H new ATOM 0 HB2 LEU A 66 -6.907 -1.828 3.584 1.00 62.43 H new ATOM 0 HB3 LEU A 66 -7.910 -2.171 2.188 1.00 62.43 H new ATOM 0 HG LEU A 66 -6.115 -0.154 1.357 1.00 52.15 H new ATOM 0 HD11 LEU A 66 -3.928 -1.187 1.820 1.00 74.20 H new ATOM 0 HD12 LEU A 66 -4.731 -0.644 3.313 1.00 74.20 H new ATOM 0 HD13 LEU A 66 -4.719 -2.372 2.887 1.00 74.20 H new ATOM 0 HD21 LEU A 66 -5.263 -1.937 -0.114 1.00 63.24 H new ATOM 0 HD22 LEU A 66 -6.106 -3.152 0.877 1.00 63.24 H new ATOM 0 HD23 LEU A 66 -7.041 -1.942 -0.033 1.00 63.24 H new ATOM 933 N PRO A 67 -10.533 -0.559 3.008 1.00 60.40 N ATOM 934 CA PRO A 67 -11.827 -0.934 3.585 1.00 64.01 C ATOM 935 C PRO A 67 -11.934 -2.434 3.843 1.00 43.42 C ATOM 936 O PRO A 67 -12.555 -2.864 4.814 1.00 50.53 O ATOM 937 CB PRO A 67 -12.832 -0.504 2.514 1.00 21.14 C ATOM 938 CG PRO A 67 -12.060 -0.523 1.240 1.00 10.22 C ATOM 939 CD PRO A 67 -10.654 -0.133 1.604 1.00 34.31 C ATOM 0 HA PRO A 67 -11.991 -0.466 4.555 1.00 64.01 H new ATOM 0 HB2 PRO A 67 -13.682 -1.186 2.472 1.00 21.14 H new ATOM 0 HB3 PRO A 67 -13.230 0.489 2.721 1.00 21.14 H new ATOM 0 HG2 PRO A 67 -12.085 -1.512 0.783 1.00 10.22 H new ATOM 0 HG3 PRO A 67 -12.484 0.173 0.516 1.00 10.22 H new ATOM 0 HD2 PRO A 67 -9.922 -0.631 0.969 1.00 34.31 H new ATOM 0 HD3 PRO A 67 -10.494 0.940 1.495 1.00 34.31 H new ATOM 944 N ALA A 68 -11.322 -3.225 2.966 1.00 21.33 N ATOM 945 CA ALA A 68 -11.345 -4.676 3.102 1.00 41.25 C ATOM 946 C ALA A 68 -10.317 -5.330 2.184 1.00 71.53 C ATOM 947 O ALA A 68 -10.540 -5.463 0.981 1.00 5.21 O ATOM 948 CB ALA A 68 -12.738 -5.211 2.802 1.00 74.12 C ATOM 0 H ALA A 68 -10.805 -2.885 2.155 1.00 21.33 H new ATOM 0 HA ALA A 68 -11.085 -4.924 4.131 1.00 41.25 H new ATOM 0 HB1 ALA A 68 -12.742 -6.296 2.907 1.00 74.12 H new ATOM 0 HB2 ALA A 68 -13.453 -4.776 3.501 1.00 74.12 H new ATOM 0 HB3 ALA A 68 -13.019 -4.944 1.783 1.00 74.12 H new ATOM 954 N VAL A 69 -9.189 -5.735 2.761 1.00 61.35 N ATOM 955 CA VAL A 69 -8.127 -6.373 1.994 1.00 13.31 C ATOM 956 C VAL A 69 -8.517 -7.791 1.590 1.00 3.40 C ATOM 957 O VAL A 69 -8.655 -8.673 2.437 1.00 42.23 O ATOM 958 CB VAL A 69 -6.811 -6.423 2.793 1.00 42.34 C ATOM 959 CG1 VAL A 69 -6.218 -5.030 2.932 1.00 35.25 C ATOM 960 CG2 VAL A 69 -7.041 -7.052 4.160 1.00 45.32 C ATOM 0 H VAL A 69 -8.988 -5.632 3.756 1.00 61.35 H new ATOM 0 HA VAL A 69 -7.977 -5.771 1.098 1.00 13.31 H new ATOM 0 HB VAL A 69 -6.099 -7.043 2.248 1.00 42.34 H new ATOM 0 HG11 VAL A 69 -5.289 -5.085 3.499 1.00 35.25 H new ATOM 0 HG12 VAL A 69 -6.015 -4.620 1.942 1.00 35.25 H new ATOM 0 HG13 VAL A 69 -6.924 -4.384 3.454 1.00 35.25 H new ATOM 0 HG21 VAL A 69 -6.101 -7.079 4.711 1.00 45.32 H new ATOM 0 HG22 VAL A 69 -7.770 -6.461 4.715 1.00 45.32 H new ATOM 0 HG23 VAL A 69 -7.418 -8.067 4.035 1.00 45.32 H new ATOM 970 N GLY A 70 -8.692 -8.003 0.289 1.00 32.52 N ATOM 971 CA GLY A 70 -9.065 -9.316 -0.205 1.00 62.01 C ATOM 972 C GLY A 70 -7.863 -10.203 -0.457 1.00 51.41 C ATOM 973 O GLY A 70 -6.737 -9.716 -0.570 1.00 25.11 O ATOM 0 H GLY A 70 -8.582 -7.289 -0.431 1.00 32.52 H new ATOM 0 HA2 GLY A 70 -9.724 -9.799 0.517 1.00 62.01 H new ATOM 0 HA3 GLY A 70 -9.631 -9.206 -1.130 1.00 62.01 H new ATOM 977 N ILE A 71 -8.100 -11.507 -0.545 1.00 52.10 N ATOM 978 CA ILE A 71 -7.027 -12.463 -0.784 1.00 51.43 C ATOM 979 C ILE A 71 -6.255 -12.118 -2.054 1.00 3.43 C ATOM 980 O ILE A 71 -5.058 -12.382 -2.155 1.00 23.13 O ATOM 981 CB ILE A 71 -7.569 -13.901 -0.902 1.00 74.10 C ATOM 982 CG1 ILE A 71 -6.544 -14.901 -0.362 1.00 0.13 C ATOM 983 CG2 ILE A 71 -7.916 -14.218 -2.349 1.00 5.41 C ATOM 984 CD1 ILE A 71 -6.466 -16.179 -1.166 1.00 41.45 C ATOM 0 H ILE A 71 -9.026 -11.926 -0.454 1.00 52.10 H new ATOM 0 HA ILE A 71 -6.357 -12.405 0.074 1.00 51.43 H new ATOM 0 HB ILE A 71 -8.477 -13.983 -0.305 1.00 74.10 H new ATOM 0 HG12 ILE A 71 -5.561 -14.430 -0.348 1.00 0.13 H new ATOM 0 HG13 ILE A 71 -6.795 -15.145 0.670 1.00 0.13 H new ATOM 0 HG21 ILE A 71 -8.297 -15.237 -2.417 1.00 5.41 H new ATOM 0 HG22 ILE A 71 -8.677 -13.521 -2.702 1.00 5.41 H new ATOM 0 HG23 ILE A 71 -7.023 -14.123 -2.967 1.00 5.41 H new ATOM 0 HD11 ILE A 71 -5.720 -16.841 -0.726 1.00 41.45 H new ATOM 0 HD12 ILE A 71 -7.438 -16.673 -1.159 1.00 41.45 H new ATOM 0 HD13 ILE A 71 -6.184 -15.946 -2.193 1.00 41.45 H new ATOM 995 N GLN A 72 -6.950 -11.525 -3.019 1.00 21.24 N ATOM 996 CA GLN A 72 -6.329 -11.141 -4.281 1.00 33.23 C ATOM 997 C GLN A 72 -5.481 -9.885 -4.111 1.00 54.33 C ATOM 998 O GLN A 72 -4.593 -9.610 -4.920 1.00 41.24 O ATOM 999 CB GLN A 72 -7.400 -10.906 -5.349 1.00 61.22 C ATOM 1000 CG GLN A 72 -7.859 -12.180 -6.040 1.00 60.12 C ATOM 1001 CD GLN A 72 -8.814 -11.910 -7.186 1.00 12.35 C ATOM 1002 OE1 GLN A 72 -9.970 -12.336 -7.158 1.00 73.42 O ATOM 1003 NE2 GLN A 72 -8.337 -11.199 -8.201 1.00 43.42 N ATOM 0 H GLN A 72 -7.943 -11.300 -2.951 1.00 21.24 H new ATOM 0 HA GLN A 72 -5.679 -11.956 -4.600 1.00 33.23 H new ATOM 0 HB2 GLN A 72 -8.261 -10.422 -4.888 1.00 61.22 H new ATOM 0 HB3 GLN A 72 -7.010 -10.217 -6.098 1.00 61.22 H new ATOM 0 HG2 GLN A 72 -6.989 -12.719 -6.416 1.00 60.12 H new ATOM 0 HG3 GLN A 72 -8.345 -12.829 -5.312 1.00 60.12 H new ATOM 0 HE21 GLN A 72 -7.373 -10.866 -8.182 1.00 43.42 H new ATOM 0 HE22 GLN A 72 -8.935 -10.986 -9.000 1.00 43.42 H new ATOM 1010 N ASP A 73 -5.756 -9.129 -3.055 1.00 0.01 N ATOM 1011 CA ASP A 73 -5.016 -7.903 -2.779 1.00 22.24 C ATOM 1012 C ASP A 73 -3.619 -8.218 -2.254 1.00 73.12 C ATOM 1013 O ASP A 73 -2.814 -7.316 -2.025 1.00 13.12 O ATOM 1014 CB ASP A 73 -5.772 -7.043 -1.764 1.00 60.12 C ATOM 1015 CG ASP A 73 -6.383 -5.806 -2.395 1.00 44.20 C ATOM 1016 OD1 ASP A 73 -7.454 -5.930 -3.024 1.00 31.21 O ATOM 1017 OD2 ASP A 73 -5.788 -4.717 -2.260 1.00 21.21 O ATOM 0 H ASP A 73 -6.486 -9.343 -2.376 1.00 0.01 H new ATOM 0 HA ASP A 73 -4.918 -7.349 -3.713 1.00 22.24 H new ATOM 0 HB2 ASP A 73 -6.559 -7.639 -1.302 1.00 60.12 H new ATOM 0 HB3 ASP A 73 -5.091 -6.743 -0.968 1.00 60.12 H new ATOM 1021 N GLU A 74 -3.339 -9.504 -2.068 1.00 12.25 N ATOM 1022 CA GLU A 74 -2.038 -9.937 -1.569 1.00 71.31 C ATOM 1023 C GLU A 74 -0.915 -9.435 -2.472 1.00 21.34 C ATOM 1024 O GLU A 74 -1.057 -9.391 -3.692 1.00 74.34 O ATOM 1025 CB GLU A 74 -1.986 -11.463 -1.471 1.00 63.40 C ATOM 1026 CG GLU A 74 -2.512 -12.007 -0.154 1.00 53.10 C ATOM 1027 CD GLU A 74 -2.482 -13.522 -0.095 1.00 41.32 C ATOM 1028 OE1 GLU A 74 -2.964 -14.164 -1.052 1.00 63.42 O ATOM 1029 OE2 GLU A 74 -1.975 -14.066 0.909 1.00 52.12 O ATOM 0 H GLU A 74 -3.994 -10.263 -2.255 1.00 12.25 H new ATOM 0 HA GLU A 74 -1.899 -9.512 -0.575 1.00 71.31 H new ATOM 0 HB2 GLU A 74 -2.566 -11.891 -2.289 1.00 63.40 H new ATOM 0 HB3 GLU A 74 -0.956 -11.792 -1.605 1.00 63.40 H new ATOM 0 HG2 GLU A 74 -1.917 -11.603 0.665 1.00 53.10 H new ATOM 0 HG3 GLU A 74 -3.535 -11.662 -0.005 1.00 53.10 H new ATOM 1034 N GLY A 75 0.204 -9.056 -1.859 1.00 62.13 N ATOM 1035 CA GLY A 75 1.335 -8.561 -2.622 1.00 11.31 C ATOM 1036 C GLY A 75 2.277 -7.723 -1.781 1.00 55.33 C ATOM 1037 O GLY A 75 2.353 -7.891 -0.565 1.00 22.04 O ATOM 0 H GLY A 75 0.346 -9.083 -0.849 1.00 62.13 H new ATOM 0 HA2 GLY A 75 1.882 -9.404 -3.044 1.00 11.31 H new ATOM 0 HA3 GLY A 75 0.972 -7.965 -3.459 1.00 11.31 H new ATOM 1041 N ILE A 76 3.000 -6.817 -2.433 1.00 23.03 N ATOM 1042 CA ILE A 76 3.942 -5.949 -1.738 1.00 70.22 C ATOM 1043 C ILE A 76 3.633 -4.479 -2.001 1.00 1.44 C ATOM 1044 O ILE A 76 3.388 -4.079 -3.139 1.00 60.31 O ATOM 1045 CB ILE A 76 5.395 -6.240 -2.162 1.00 22.30 C ATOM 1046 CG1 ILE A 76 5.484 -7.605 -2.847 1.00 1.30 C ATOM 1047 CG2 ILE A 76 6.320 -6.184 -0.956 1.00 10.32 C ATOM 1048 CD1 ILE A 76 5.174 -8.764 -1.927 1.00 3.03 C ATOM 0 H ILE A 76 2.951 -6.666 -3.441 1.00 23.03 H new ATOM 0 HA ILE A 76 3.834 -6.156 -0.673 1.00 70.22 H new ATOM 0 HB ILE A 76 5.712 -5.476 -2.872 1.00 22.30 H new ATOM 0 HG12 ILE A 76 4.793 -7.625 -3.689 1.00 1.30 H new ATOM 0 HG13 ILE A 76 6.487 -7.733 -3.254 1.00 1.30 H new ATOM 0 HG21 ILE A 76 7.342 -6.392 -1.272 1.00 10.32 H new ATOM 0 HG22 ILE A 76 6.273 -5.192 -0.507 1.00 10.32 H new ATOM 0 HG23 ILE A 76 6.008 -6.928 -0.223 1.00 10.32 H new ATOM 0 HD11 ILE A 76 5.256 -9.700 -2.480 1.00 3.03 H new ATOM 0 HD12 ILE A 76 5.881 -8.769 -1.097 1.00 3.03 H new ATOM 0 HD13 ILE A 76 4.161 -8.660 -1.539 1.00 3.03 H new ATOM 1059 N PHE A 77 3.648 -3.679 -0.940 1.00 73.43 N ATOM 1060 CA PHE A 77 3.369 -2.251 -1.056 1.00 41.31 C ATOM 1061 C PHE A 77 4.656 -1.437 -0.964 1.00 2.02 C ATOM 1062 O PHE A 77 5.437 -1.594 -0.025 1.00 13.15 O ATOM 1063 CB PHE A 77 2.394 -1.810 0.036 1.00 1.13 C ATOM 1064 CG PHE A 77 2.364 -0.324 0.249 1.00 15.13 C ATOM 1065 CD1 PHE A 77 2.277 0.543 -0.828 1.00 53.32 C ATOM 1066 CD2 PHE A 77 2.426 0.208 1.528 1.00 22.03 C ATOM 1067 CE1 PHE A 77 2.249 1.910 -0.636 1.00 33.03 C ATOM 1068 CE2 PHE A 77 2.398 1.575 1.726 1.00 13.24 C ATOM 1069 CZ PHE A 77 2.311 2.428 0.643 1.00 40.33 C ATOM 0 H PHE A 77 3.850 -3.994 0.009 1.00 73.43 H new ATOM 0 HA PHE A 77 2.916 -2.073 -2.031 1.00 41.31 H new ATOM 0 HB2 PHE A 77 1.392 -2.152 -0.223 1.00 1.13 H new ATOM 0 HB3 PHE A 77 2.665 -2.298 0.972 1.00 1.13 H new ATOM 0 HD1 PHE A 77 2.230 0.144 -1.831 1.00 53.32 H new ATOM 0 HD2 PHE A 77 2.497 -0.454 2.379 1.00 22.03 H new ATOM 0 HE1 PHE A 77 2.179 2.574 -1.485 1.00 33.03 H new ATOM 0 HE2 PHE A 77 2.444 1.977 2.727 1.00 13.24 H new ATOM 0 HZ PHE A 77 2.292 3.497 0.796 1.00 40.33 H new ATOM 1078 N ARG A 78 4.871 -0.567 -1.946 1.00 52.41 N ATOM 1079 CA ARG A 78 6.064 0.271 -1.977 1.00 44.12 C ATOM 1080 C ARG A 78 5.690 1.743 -2.110 1.00 55.11 C ATOM 1081 O ARG A 78 4.919 2.122 -2.992 1.00 43.24 O ATOM 1082 CB ARG A 78 6.973 -0.143 -3.137 1.00 1.45 C ATOM 1083 CG ARG A 78 8.278 -0.782 -2.689 1.00 61.43 C ATOM 1084 CD ARG A 78 9.330 0.266 -2.367 1.00 33.33 C ATOM 1085 NE ARG A 78 9.826 0.931 -3.569 1.00 62.31 N ATOM 1086 CZ ARG A 78 10.483 2.087 -3.552 1.00 25.14 C ATOM 1087 NH1 ARG A 78 10.722 2.700 -2.401 1.00 53.35 N ATOM 1088 NH2 ARG A 78 10.901 2.630 -4.688 1.00 63.43 N ATOM 0 H ARG A 78 4.235 -0.424 -2.730 1.00 52.41 H new ATOM 0 HA ARG A 78 6.600 0.134 -1.038 1.00 44.12 H new ATOM 0 HB2 ARG A 78 6.436 -0.843 -3.777 1.00 1.45 H new ATOM 0 HB3 ARG A 78 7.197 0.735 -3.743 1.00 1.45 H new ATOM 0 HG2 ARG A 78 8.098 -1.401 -1.810 1.00 61.43 H new ATOM 0 HG3 ARG A 78 8.649 -1.442 -3.473 1.00 61.43 H new ATOM 0 HD2 ARG A 78 8.907 1.008 -1.690 1.00 33.33 H new ATOM 0 HD3 ARG A 78 10.162 -0.205 -1.844 1.00 33.33 H new ATOM 0 HE ARG A 78 9.659 0.484 -4.471 1.00 62.31 H new ATOM 0 HH11 ARG A 78 10.402 2.285 -1.526 1.00 53.35 H new ATOM 0 HH12 ARG A 78 11.226 3.587 -2.390 1.00 53.35 H new ATOM 0 HH21 ARG A 78 10.718 2.161 -5.575 1.00 63.43 H new ATOM 0 HH22 ARG A 78 11.405 3.517 -4.674 1.00 63.43 H new ATOM 1099 N CYS A 79 6.241 2.571 -1.229 1.00 51.03 N ATOM 1100 CA CYS A 79 5.966 4.002 -1.247 1.00 13.03 C ATOM 1101 C CYS A 79 7.252 4.801 -1.441 1.00 40.22 C ATOM 1102 O CYS A 79 8.330 4.370 -1.034 1.00 25.43 O ATOM 1103 CB CYS A 79 5.282 4.427 0.053 1.00 5.41 C ATOM 1104 SG CYS A 79 4.403 6.018 -0.055 1.00 33.32 S ATOM 0 H CYS A 79 6.882 2.275 -0.493 1.00 51.03 H new ATOM 0 HA CYS A 79 5.300 4.208 -2.085 1.00 13.03 H new ATOM 0 HB2 CYS A 79 4.574 3.653 0.349 1.00 5.41 H new ATOM 0 HB3 CYS A 79 6.032 4.491 0.841 1.00 5.41 H new ATOM 1108 N GLN A 80 7.129 5.968 -2.067 1.00 23.01 N ATOM 1109 CA GLN A 80 8.280 6.826 -2.316 1.00 44.02 C ATOM 1110 C GLN A 80 7.919 8.294 -2.114 1.00 31.30 C ATOM 1111 O GLN A 80 6.888 8.762 -2.594 1.00 41.45 O ATOM 1112 CB GLN A 80 8.807 6.609 -3.736 1.00 62.30 C ATOM 1113 CG GLN A 80 7.754 6.817 -4.813 1.00 14.12 C ATOM 1114 CD GLN A 80 8.331 6.743 -6.214 1.00 45.22 C ATOM 1115 OE1 GLN A 80 8.444 7.755 -6.906 1.00 10.33 O ATOM 1116 NE2 GLN A 80 8.698 5.539 -6.640 1.00 11.04 N ATOM 0 H GLN A 80 6.244 6.340 -2.410 1.00 23.01 H new ATOM 0 HA GLN A 80 9.060 6.561 -1.602 1.00 44.02 H new ATOM 0 HB2 GLN A 80 9.638 7.292 -3.915 1.00 62.30 H new ATOM 0 HB3 GLN A 80 9.203 5.597 -3.817 1.00 62.30 H new ATOM 0 HG2 GLN A 80 6.975 6.063 -4.705 1.00 14.12 H new ATOM 0 HG3 GLN A 80 7.280 7.788 -4.670 1.00 14.12 H new ATOM 0 HE21 GLN A 80 8.586 4.727 -6.033 1.00 11.04 H new ATOM 0 HE22 GLN A 80 9.091 5.427 -7.574 1.00 11.04 H new ATOM 1123 N ALA A 81 8.776 9.015 -1.398 1.00 70.14 N ATOM 1124 CA ALA A 81 8.548 10.430 -1.134 1.00 22.51 C ATOM 1125 C ALA A 81 9.799 11.252 -1.425 1.00 23.52 C ATOM 1126 O ALA A 81 10.899 10.711 -1.524 1.00 43.21 O ATOM 1127 CB ALA A 81 8.104 10.632 0.308 1.00 71.10 C ATOM 0 H ALA A 81 9.634 8.642 -0.991 1.00 70.14 H new ATOM 0 HA ALA A 81 7.756 10.776 -1.799 1.00 22.51 H new ATOM 0 HB1 ALA A 81 7.937 11.693 0.492 1.00 71.10 H new ATOM 0 HB2 ALA A 81 7.179 10.083 0.484 1.00 71.10 H new ATOM 0 HB3 ALA A 81 8.878 10.264 0.982 1.00 71.10 H new ATOM 1133 N MET A 82 9.623 12.562 -1.561 1.00 24.43 N ATOM 1134 CA MET A 82 10.738 13.459 -1.838 1.00 51.33 C ATOM 1135 C MET A 82 10.745 14.636 -0.869 1.00 0.45 C ATOM 1136 O MET A 82 9.756 15.356 -0.746 1.00 1.32 O ATOM 1137 CB MET A 82 10.662 13.969 -3.279 1.00 70.11 C ATOM 1138 CG MET A 82 10.769 12.868 -4.321 1.00 54.45 C ATOM 1139 SD MET A 82 11.397 13.465 -5.902 1.00 71.41 S ATOM 1140 CE MET A 82 13.152 13.174 -5.702 1.00 5.21 C ATOM 0 H MET A 82 8.718 13.026 -1.484 1.00 24.43 H new ATOM 0 HA MET A 82 11.664 12.899 -1.706 1.00 51.33 H new ATOM 0 HB2 MET A 82 9.720 14.499 -3.419 1.00 70.11 H new ATOM 0 HB3 MET A 82 11.462 14.691 -3.442 1.00 70.11 H new ATOM 0 HG2 MET A 82 11.426 12.082 -3.947 1.00 54.45 H new ATOM 0 HG3 MET A 82 9.787 12.419 -4.471 1.00 54.45 H new ATOM 0 HE1 MET A 82 13.697 13.666 -6.508 1.00 5.21 H new ATOM 0 HE2 MET A 82 13.481 13.576 -4.744 1.00 5.21 H new ATOM 0 HE3 MET A 82 13.349 12.102 -5.733 1.00 5.21 H new ATOM 1148 N ASN A 83 11.869 14.825 -0.183 1.00 24.40 N ATOM 1149 CA ASN A 83 12.003 15.915 0.776 1.00 40.52 C ATOM 1150 C ASN A 83 12.476 17.191 0.086 1.00 1.02 C ATOM 1151 O ASN A 83 12.820 17.180 -1.096 1.00 13.42 O ATOM 1152 CB ASN A 83 12.984 15.528 1.884 1.00 0.34 C ATOM 1153 CG ASN A 83 12.895 14.057 2.246 1.00 13.44 C ATOM 1154 OD1 ASN A 83 13.807 13.281 1.960 1.00 40.43 O ATOM 1155 ND2 ASN A 83 11.796 13.669 2.878 1.00 64.31 N ATOM 0 H ASN A 83 12.698 14.238 -0.274 1.00 24.40 H new ATOM 0 HA ASN A 83 11.023 16.102 1.216 1.00 40.52 H new ATOM 0 HB2 ASN A 83 14.000 15.760 1.564 1.00 0.34 H new ATOM 0 HB3 ASN A 83 12.784 16.130 2.770 1.00 0.34 H new ATOM 0 HD21 ASN A 83 11.681 12.692 3.148 1.00 64.31 H new ATOM 0 HD22 ASN A 83 11.066 14.347 3.095 1.00 64.31 H new ATOM 1161 N ARG A 84 12.492 18.290 0.835 1.00 50.35 N ATOM 1162 CA ARG A 84 12.923 19.574 0.295 1.00 75.33 C ATOM 1163 C ARG A 84 14.428 19.582 0.044 1.00 51.01 C ATOM 1164 O ARG A 84 14.937 20.408 -0.711 1.00 53.34 O ATOM 1165 CB ARG A 84 12.550 20.705 1.255 1.00 65.51 C ATOM 1166 CG ARG A 84 13.382 20.725 2.526 1.00 4.34 C ATOM 1167 CD ARG A 84 12.710 21.542 3.619 1.00 14.13 C ATOM 1168 NE ARG A 84 13.588 21.745 4.769 1.00 12.30 N ATOM 1169 CZ ARG A 84 13.800 20.825 5.704 1.00 72.03 C ATOM 1170 NH1 ARG A 84 13.199 19.645 5.626 1.00 33.42 N ATOM 1171 NH2 ARG A 84 14.613 21.086 6.720 1.00 45.32 N ATOM 0 H ARG A 84 12.212 18.316 1.815 1.00 50.35 H new ATOM 0 HA ARG A 84 12.413 19.729 -0.656 1.00 75.33 H new ATOM 0 HB2 ARG A 84 12.665 21.659 0.741 1.00 65.51 H new ATOM 0 HB3 ARG A 84 11.497 20.611 1.522 1.00 65.51 H new ATOM 0 HG2 ARG A 84 13.538 19.705 2.876 1.00 4.34 H new ATOM 0 HG3 ARG A 84 14.366 21.142 2.312 1.00 4.34 H new ATOM 0 HD2 ARG A 84 12.411 22.510 3.216 1.00 14.13 H new ATOM 0 HD3 ARG A 84 11.800 21.036 3.942 1.00 14.13 H new ATOM 0 HE ARG A 84 14.064 22.642 4.859 1.00 12.30 H new ATOM 0 HH11 ARG A 84 12.573 19.442 4.847 1.00 33.42 H new ATOM 0 HH12 ARG A 84 13.363 18.940 6.345 1.00 33.42 H new ATOM 0 HH21 ARG A 84 15.075 21.993 6.783 1.00 45.32 H new ATOM 0 HH22 ARG A 84 14.776 20.380 7.438 1.00 45.32 H new ATOM 1182 N ASN A 85 15.134 18.656 0.685 1.00 21.11 N ATOM 1183 CA ASN A 85 16.582 18.557 0.532 1.00 64.11 C ATOM 1184 C ASN A 85 16.945 17.970 -0.828 1.00 50.32 C ATOM 1185 O ASN A 85 18.067 18.133 -1.307 1.00 23.14 O ATOM 1186 CB ASN A 85 17.175 17.695 1.648 1.00 23.15 C ATOM 1187 CG ASN A 85 16.552 17.990 3.000 1.00 43.01 C ATOM 1188 OD1 ASN A 85 15.863 17.148 3.574 1.00 73.00 O ATOM 1189 ND2 ASN A 85 16.794 19.191 3.512 1.00 40.12 N ATOM 0 H ASN A 85 14.728 17.964 1.315 1.00 21.11 H new ATOM 0 HA ASN A 85 17.000 19.561 0.597 1.00 64.11 H new ATOM 0 HB2 ASN A 85 17.030 16.642 1.406 1.00 23.15 H new ATOM 0 HB3 ASN A 85 18.250 17.864 1.702 1.00 23.15 H new ATOM 0 HD21 ASN A 85 16.402 19.448 4.418 1.00 40.12 H new ATOM 0 HD22 ASN A 85 17.372 19.857 2.999 1.00 40.12 H new ATOM 1195 N GLY A 86 15.989 17.285 -1.447 1.00 5.04 N ATOM 1196 CA GLY A 86 16.228 16.682 -2.745 1.00 60.33 C ATOM 1197 C GLY A 86 16.366 15.175 -2.669 1.00 41.05 C ATOM 1198 O GLY A 86 16.400 14.495 -3.695 1.00 51.31 O ATOM 0 H GLY A 86 15.052 17.137 -1.072 1.00 5.04 H new ATOM 0 HA2 GLY A 86 15.407 16.935 -3.416 1.00 60.33 H new ATOM 0 HA3 GLY A 86 17.135 17.105 -3.177 1.00 60.33 H new ATOM 1202 N LYS A 87 16.447 14.650 -1.452 1.00 21.00 N ATOM 1203 CA LYS A 87 16.582 13.213 -1.244 1.00 52.31 C ATOM 1204 C LYS A 87 15.219 12.532 -1.248 1.00 60.20 C ATOM 1205 O LYS A 87 14.224 13.112 -0.813 1.00 44.24 O ATOM 1206 CB LYS A 87 17.301 12.934 0.078 1.00 40.44 C ATOM 1207 CG LYS A 87 18.815 12.932 -0.041 1.00 71.11 C ATOM 1208 CD LYS A 87 19.373 14.344 -0.075 1.00 35.23 C ATOM 1209 CE LYS A 87 19.605 14.818 -1.502 1.00 32.42 C ATOM 1210 NZ LYS A 87 20.956 14.438 -2.000 1.00 34.11 N ATOM 0 H LYS A 87 16.421 15.199 -0.593 1.00 21.00 H new ATOM 0 HA LYS A 87 17.173 12.806 -2.065 1.00 52.31 H new ATOM 0 HB2 LYS A 87 17.004 13.686 0.809 1.00 40.44 H new ATOM 0 HB3 LYS A 87 16.974 11.968 0.463 1.00 40.44 H new ATOM 0 HG2 LYS A 87 19.246 12.389 0.800 1.00 71.11 H new ATOM 0 HG3 LYS A 87 19.109 12.402 -0.947 1.00 71.11 H new ATOM 0 HD2 LYS A 87 18.682 15.021 0.427 1.00 35.23 H new ATOM 0 HD3 LYS A 87 20.312 14.379 0.478 1.00 35.23 H new ATOM 0 HE2 LYS A 87 18.844 14.391 -2.155 1.00 32.42 H new ATOM 0 HE3 LYS A 87 19.493 15.901 -1.548 1.00 32.42 H new ATOM 0 HZ1 LYS A 87 21.075 14.779 -2.975 1.00 34.11 H new ATOM 0 HZ2 LYS A 87 21.683 14.866 -1.392 1.00 34.11 H new ATOM 0 HZ3 LYS A 87 21.055 13.403 -1.981 1.00 34.11 H new ATOM 1220 N GLU A 88 15.179 11.297 -1.740 1.00 35.44 N ATOM 1221 CA GLU A 88 13.936 10.537 -1.799 1.00 73.43 C ATOM 1222 C GLU A 88 13.905 9.461 -0.718 1.00 31.33 C ATOM 1223 O GLU A 88 14.925 8.840 -0.414 1.00 22.42 O ATOM 1224 CB GLU A 88 13.769 9.897 -3.177 1.00 45.12 C ATOM 1225 CG GLU A 88 12.486 9.095 -3.324 1.00 52.14 C ATOM 1226 CD GLU A 88 12.530 8.135 -4.497 1.00 75.45 C ATOM 1227 OE1 GLU A 88 12.597 8.609 -5.651 1.00 33.42 O ATOM 1228 OE2 GLU A 88 12.496 6.909 -4.262 1.00 71.31 O ATOM 0 H GLU A 88 15.993 10.802 -2.103 1.00 35.44 H new ATOM 0 HA GLU A 88 13.110 11.226 -1.625 1.00 73.43 H new ATOM 0 HB2 GLU A 88 13.788 10.679 -3.936 1.00 45.12 H new ATOM 0 HB3 GLU A 88 14.620 9.244 -3.371 1.00 45.12 H new ATOM 0 HG2 GLU A 88 12.305 8.534 -2.407 1.00 52.14 H new ATOM 0 HG3 GLU A 88 11.647 9.779 -3.450 1.00 52.14 H new ATOM 1233 N THR A 89 12.728 9.245 -0.141 1.00 5.33 N ATOM 1234 CA THR A 89 12.563 8.244 0.908 1.00 70.52 C ATOM 1235 C THR A 89 11.880 6.992 0.370 1.00 32.30 C ATOM 1236 O THR A 89 10.856 7.073 -0.310 1.00 33.24 O ATOM 1237 CB THR A 89 11.740 8.798 2.088 1.00 51.41 C ATOM 1238 OG1 THR A 89 11.765 10.230 2.073 1.00 24.01 O ATOM 1239 CG2 THR A 89 12.288 8.291 3.413 1.00 3.35 C ATOM 0 H THR A 89 11.874 9.749 -0.381 1.00 5.33 H new ATOM 0 HA THR A 89 13.562 7.987 1.260 1.00 70.52 H new ATOM 0 HB THR A 89 10.712 8.452 1.981 1.00 51.41 H new ATOM 0 HG1 THR A 89 12.007 10.562 2.963 1.00 24.01 H new ATOM 0 HG21 THR A 89 11.692 8.695 4.232 1.00 3.35 H new ATOM 0 HG22 THR A 89 12.242 7.202 3.433 1.00 3.35 H new ATOM 0 HG23 THR A 89 13.323 8.612 3.525 1.00 3.35 H new ATOM 1247 N LYS A 90 12.451 5.834 0.680 1.00 44.22 N ATOM 1248 CA LYS A 90 11.896 4.562 0.229 1.00 25.25 C ATOM 1249 C LYS A 90 11.145 3.866 1.360 1.00 25.01 C ATOM 1250 O LYS A 90 11.551 3.930 2.521 1.00 74.21 O ATOM 1251 CB LYS A 90 13.010 3.653 -0.293 1.00 64.31 C ATOM 1252 CG LYS A 90 13.787 4.249 -1.454 1.00 12.14 C ATOM 1253 CD LYS A 90 14.646 3.204 -2.146 1.00 0.33 C ATOM 1254 CE LYS A 90 13.795 2.109 -2.770 1.00 62.55 C ATOM 1255 NZ LYS A 90 14.599 1.211 -3.644 1.00 74.25 N ATOM 0 H LYS A 90 13.298 5.749 1.242 1.00 44.22 H new ATOM 0 HA LYS A 90 11.194 4.766 -0.579 1.00 25.25 H new ATOM 0 HB2 LYS A 90 13.701 3.434 0.521 1.00 64.31 H new ATOM 0 HB3 LYS A 90 12.576 2.704 -0.606 1.00 64.31 H new ATOM 0 HG2 LYS A 90 13.092 4.684 -2.173 1.00 12.14 H new ATOM 0 HG3 LYS A 90 14.420 5.059 -1.092 1.00 12.14 H new ATOM 0 HD2 LYS A 90 15.250 3.681 -2.918 1.00 0.33 H new ATOM 0 HD3 LYS A 90 15.337 2.764 -1.426 1.00 0.33 H new ATOM 0 HE2 LYS A 90 13.324 1.522 -1.982 1.00 62.55 H new ATOM 0 HE3 LYS A 90 12.993 2.561 -3.354 1.00 62.55 H new ATOM 0 HZ1 LYS A 90 13.982 0.479 -4.050 1.00 74.25 H new ATOM 0 HZ2 LYS A 90 15.028 1.767 -4.411 1.00 74.25 H new ATOM 0 HZ3 LYS A 90 15.349 0.760 -3.082 1.00 74.25 H new ATOM 1265 N SER A 91 10.049 3.199 1.014 1.00 12.24 N ATOM 1266 CA SER A 91 9.240 2.492 2.001 1.00 50.44 C ATOM 1267 C SER A 91 8.666 1.207 1.413 1.00 75.24 C ATOM 1268 O SER A 91 8.012 1.226 0.370 1.00 54.14 O ATOM 1269 CB SER A 91 8.106 3.389 2.500 1.00 52.13 C ATOM 1270 OG SER A 91 7.663 2.986 3.783 1.00 20.14 O ATOM 0 H SER A 91 9.700 3.133 0.058 1.00 12.24 H new ATOM 0 HA SER A 91 9.883 2.231 2.841 1.00 50.44 H new ATOM 0 HB2 SER A 91 8.447 4.424 2.538 1.00 52.13 H new ATOM 0 HB3 SER A 91 7.274 3.353 1.797 1.00 52.13 H new ATOM 0 HG SER A 91 7.142 2.159 3.705 1.00 20.14 H new ATOM 1275 N ASN A 92 8.916 0.091 2.088 1.00 71.22 N ATOM 1276 CA ASN A 92 8.424 -1.205 1.633 1.00 52.41 C ATOM 1277 C ASN A 92 7.651 -1.913 2.741 1.00 60.13 C ATOM 1278 O ASN A 92 8.182 -2.160 3.824 1.00 52.02 O ATOM 1279 CB ASN A 92 9.589 -2.082 1.169 1.00 73.31 C ATOM 1280 CG ASN A 92 9.237 -3.557 1.162 1.00 34.01 C ATOM 1281 OD1 ASN A 92 10.023 -4.396 1.603 1.00 61.24 O ATOM 1282 ND2 ASN A 92 8.050 -3.879 0.660 1.00 53.12 N ATOM 0 H ASN A 92 9.456 0.057 2.952 1.00 71.22 H new ATOM 0 HA ASN A 92 7.749 -1.035 0.794 1.00 52.41 H new ATOM 0 HB2 ASN A 92 9.891 -1.779 0.167 1.00 73.31 H new ATOM 0 HB3 ASN A 92 10.446 -1.919 1.823 1.00 73.31 H new ATOM 0 HD21 ASN A 92 7.757 -4.856 0.629 1.00 53.12 H new ATOM 0 HD22 ASN A 92 7.431 -3.150 0.306 1.00 53.12 H new ATOM 1288 N TYR A 93 6.393 -2.239 2.462 1.00 52.21 N ATOM 1289 CA TYR A 93 5.545 -2.918 3.435 1.00 34.03 C ATOM 1290 C TYR A 93 4.908 -4.163 2.826 1.00 24.22 C ATOM 1291 O TYR A 93 4.197 -4.083 1.824 1.00 4.20 O ATOM 1292 CB TYR A 93 4.457 -1.971 3.943 1.00 74.13 C ATOM 1293 CG TYR A 93 4.942 -1.002 4.998 1.00 63.21 C ATOM 1294 CD1 TYR A 93 5.928 -0.066 4.711 1.00 5.42 C ATOM 1295 CD2 TYR A 93 4.412 -1.023 6.283 1.00 72.11 C ATOM 1296 CE1 TYR A 93 6.375 0.820 5.673 1.00 45.11 C ATOM 1297 CE2 TYR A 93 4.851 -0.139 7.251 1.00 44.44 C ATOM 1298 CZ TYR A 93 5.832 0.779 6.941 1.00 0.52 C ATOM 1299 OH TYR A 93 6.274 1.660 7.902 1.00 41.44 O ATOM 0 H TYR A 93 5.938 -2.044 1.570 1.00 52.21 H new ATOM 0 HA TYR A 93 6.170 -3.225 4.273 1.00 34.03 H new ATOM 0 HB2 TYR A 93 4.056 -1.407 3.101 1.00 74.13 H new ATOM 0 HB3 TYR A 93 3.636 -2.560 4.352 1.00 74.13 H new ATOM 0 HD1 TYR A 93 6.353 -0.030 3.719 1.00 5.42 H new ATOM 0 HD2 TYR A 93 3.645 -1.742 6.529 1.00 72.11 H new ATOM 0 HE1 TYR A 93 7.144 1.540 5.434 1.00 45.11 H new ATOM 0 HE2 TYR A 93 4.428 -0.167 8.244 1.00 44.44 H new ATOM 0 HH TYR A 93 5.790 1.501 8.739 1.00 41.44 H new ATOM 1308 N ARG A 94 5.166 -5.312 3.441 1.00 50.40 N ATOM 1309 CA ARG A 94 4.618 -6.575 2.961 1.00 10.44 C ATOM 1310 C ARG A 94 3.203 -6.789 3.487 1.00 25.50 C ATOM 1311 O ARG A 94 2.933 -6.590 4.672 1.00 64.54 O ATOM 1312 CB ARG A 94 5.515 -7.740 3.389 1.00 60.43 C ATOM 1313 CG ARG A 94 6.997 -7.405 3.373 1.00 40.32 C ATOM 1314 CD ARG A 94 7.482 -7.098 1.964 1.00 34.35 C ATOM 1315 NE ARG A 94 7.373 -8.255 1.081 1.00 21.13 N ATOM 1316 CZ ARG A 94 8.235 -9.268 1.086 1.00 34.51 C ATOM 1317 NH1 ARG A 94 9.264 -9.261 1.923 1.00 62.35 N ATOM 1318 NH2 ARG A 94 8.068 -10.285 0.253 1.00 20.22 N ATOM 0 H ARG A 94 5.751 -5.395 4.273 1.00 50.40 H new ATOM 0 HA ARG A 94 4.580 -6.535 1.872 1.00 10.44 H new ATOM 0 HB2 ARG A 94 5.233 -8.054 4.394 1.00 60.43 H new ATOM 0 HB3 ARG A 94 5.336 -8.588 2.728 1.00 60.43 H new ATOM 0 HG2 ARG A 94 7.185 -6.547 4.019 1.00 40.32 H new ATOM 0 HG3 ARG A 94 7.565 -8.241 3.781 1.00 40.32 H new ATOM 0 HD2 ARG A 94 6.901 -6.273 1.553 1.00 34.35 H new ATOM 0 HD3 ARG A 94 8.520 -6.768 2.002 1.00 34.35 H new ATOM 0 HE ARG A 94 6.593 -8.289 0.424 1.00 21.13 H new ATOM 0 HH11 ARG A 94 9.395 -8.478 2.564 1.00 62.35 H new ATOM 0 HH12 ARG A 94 9.924 -10.038 1.926 1.00 62.35 H new ATOM 0 HH21 ARG A 94 7.278 -10.291 -0.392 1.00 20.22 H new ATOM 0 HH22 ARG A 94 8.729 -11.062 0.257 1.00 20.22 H new ATOM 1329 N VAL A 95 2.301 -7.196 2.598 1.00 13.14 N ATOM 1330 CA VAL A 95 0.913 -7.436 2.973 1.00 61.22 C ATOM 1331 C VAL A 95 0.519 -8.887 2.718 1.00 25.30 C ATOM 1332 O VAL A 95 0.723 -9.413 1.624 1.00 61.10 O ATOM 1333 CB VAL A 95 -0.045 -6.512 2.199 1.00 24.43 C ATOM 1334 CG1 VAL A 95 -1.489 -6.945 2.407 1.00 51.34 C ATOM 1335 CG2 VAL A 95 0.151 -5.065 2.627 1.00 35.02 C ATOM 0 H VAL A 95 2.507 -7.366 1.614 1.00 13.14 H new ATOM 0 HA VAL A 95 0.831 -7.221 4.038 1.00 61.22 H new ATOM 0 HB VAL A 95 0.183 -6.589 1.136 1.00 24.43 H new ATOM 0 HG11 VAL A 95 -2.152 -6.280 1.853 1.00 51.34 H new ATOM 0 HG12 VAL A 95 -1.618 -7.967 2.050 1.00 51.34 H new ATOM 0 HG13 VAL A 95 -1.734 -6.898 3.468 1.00 51.34 H new ATOM 0 HG21 VAL A 95 -0.534 -4.425 2.070 1.00 35.02 H new ATOM 0 HG22 VAL A 95 -0.051 -4.971 3.694 1.00 35.02 H new ATOM 0 HG23 VAL A 95 1.178 -4.761 2.424 1.00 35.02 H new ATOM 1345 N ARG A 96 -0.047 -9.529 3.735 1.00 1.24 N ATOM 1346 CA ARG A 96 -0.471 -10.919 3.620 1.00 12.25 C ATOM 1347 C ARG A 96 -1.879 -11.106 4.174 1.00 61.21 C ATOM 1348 O ARG A 96 -2.255 -10.484 5.167 1.00 32.00 O ATOM 1349 CB ARG A 96 0.507 -11.833 4.363 1.00 42.34 C ATOM 1350 CG ARG A 96 -0.036 -13.232 4.609 1.00 41.31 C ATOM 1351 CD ARG A 96 -0.319 -13.957 3.302 1.00 64.21 C ATOM 1352 NE ARG A 96 0.621 -15.048 3.066 1.00 61.12 N ATOM 1353 CZ ARG A 96 0.637 -16.170 3.777 1.00 14.13 C ATOM 1354 NH1 ARG A 96 -0.229 -16.348 4.763 1.00 22.33 N ATOM 1355 NH2 ARG A 96 1.525 -17.119 3.502 1.00 35.20 N ATOM 0 H ARG A 96 -0.222 -9.109 4.648 1.00 1.24 H new ATOM 0 HA ARG A 96 -0.478 -11.185 2.563 1.00 12.25 H new ATOM 0 HB2 ARG A 96 1.431 -11.906 3.789 1.00 42.34 H new ATOM 0 HB3 ARG A 96 0.762 -11.377 5.320 1.00 42.34 H new ATOM 0 HG2 ARG A 96 0.682 -13.804 5.196 1.00 41.31 H new ATOM 0 HG3 ARG A 96 -0.951 -13.170 5.198 1.00 41.31 H new ATOM 0 HD2 ARG A 96 -1.335 -14.351 3.319 1.00 64.21 H new ATOM 0 HD3 ARG A 96 -0.266 -13.248 2.476 1.00 64.21 H new ATOM 0 HE ARG A 96 1.303 -14.943 2.314 1.00 61.12 H new ATOM 0 HH11 ARG A 96 -0.912 -15.622 4.979 1.00 22.33 H new ATOM 0 HH12 ARG A 96 -0.213 -17.211 5.306 1.00 22.33 H new ATOM 0 HH21 ARG A 96 2.195 -16.986 2.745 1.00 35.20 H new ATOM 0 HH22 ARG A 96 1.537 -17.980 4.048 1.00 35.20 H new ATOM 1366 N VAL A 97 -2.656 -11.968 3.524 1.00 13.11 N ATOM 1367 CA VAL A 97 -4.023 -12.238 3.951 1.00 32.11 C ATOM 1368 C VAL A 97 -4.146 -13.632 4.555 1.00 64.12 C ATOM 1369 O VAL A 97 -3.150 -14.338 4.719 1.00 71.02 O ATOM 1370 CB VAL A 97 -5.013 -12.109 2.777 1.00 23.41 C ATOM 1371 CG1 VAL A 97 -4.798 -10.797 2.039 1.00 23.52 C ATOM 1372 CG2 VAL A 97 -4.873 -13.292 1.832 1.00 71.14 C ATOM 0 H VAL A 97 -2.361 -12.491 2.699 1.00 13.11 H new ATOM 0 HA VAL A 97 -4.270 -11.495 4.709 1.00 32.11 H new ATOM 0 HB VAL A 97 -6.027 -12.110 3.177 1.00 23.41 H new ATOM 0 HG11 VAL A 97 -5.506 -10.724 1.213 1.00 23.52 H new ATOM 0 HG12 VAL A 97 -4.953 -9.964 2.725 1.00 23.52 H new ATOM 0 HG13 VAL A 97 -3.781 -10.761 1.649 1.00 23.52 H new ATOM 0 HG21 VAL A 97 -5.579 -13.185 1.009 1.00 71.14 H new ATOM 0 HG22 VAL A 97 -3.857 -13.324 1.437 1.00 71.14 H new ATOM 0 HG23 VAL A 97 -5.082 -14.216 2.372 1.00 71.14 H new ATOM 1382 N TYR A 98 -5.372 -14.024 4.882 1.00 71.22 N ATOM 1383 CA TYR A 98 -5.625 -15.333 5.470 1.00 42.53 C ATOM 1384 C TYR A 98 -5.339 -16.445 4.464 1.00 23.12 C ATOM 1385 O TYR A 98 -4.290 -17.086 4.514 1.00 41.14 O ATOM 1386 CB TYR A 98 -7.073 -15.427 5.953 1.00 3.23 C ATOM 1387 CG TYR A 98 -7.453 -16.798 6.469 1.00 11.11 C ATOM 1388 CD1 TYR A 98 -6.653 -17.460 7.393 1.00 73.33 C ATOM 1389 CD2 TYR A 98 -8.609 -17.431 6.030 1.00 44.33 C ATOM 1390 CE1 TYR A 98 -6.995 -18.712 7.865 1.00 23.41 C ATOM 1391 CE2 TYR A 98 -8.959 -18.683 6.499 1.00 14.22 C ATOM 1392 CZ TYR A 98 -8.149 -19.319 7.415 1.00 71.03 C ATOM 1393 OH TYR A 98 -8.493 -20.566 7.885 1.00 42.45 O ATOM 0 H TYR A 98 -6.207 -13.453 4.750 1.00 71.22 H new ATOM 0 HA TYR A 98 -4.957 -15.457 6.322 1.00 42.53 H new ATOM 0 HB2 TYR A 98 -7.231 -14.694 6.744 1.00 3.23 H new ATOM 0 HB3 TYR A 98 -7.739 -15.160 5.132 1.00 3.23 H new ATOM 0 HD1 TYR A 98 -5.749 -16.987 7.748 1.00 73.33 H new ATOM 0 HD2 TYR A 98 -9.245 -16.937 5.310 1.00 44.33 H new ATOM 0 HE1 TYR A 98 -6.362 -19.213 8.583 1.00 23.41 H new ATOM 0 HE2 TYR A 98 -9.862 -19.161 6.150 1.00 14.22 H new ATOM 0 HH TYR A 98 -9.334 -20.852 7.470 1.00 42.45 H new ATOM 1402 N GLN A 99 -6.282 -16.667 3.554 1.00 52.12 N ATOM 1403 CA GLN A 99 -6.132 -17.701 2.537 1.00 13.40 C ATOM 1404 C GLN A 99 -4.948 -17.399 1.623 1.00 4.15 C ATOM 1405 O GLN A 99 -4.651 -16.238 1.340 1.00 65.15 O ATOM 1406 CB GLN A 99 -7.412 -17.821 1.709 1.00 70.31 C ATOM 1407 CG GLN A 99 -7.450 -19.055 0.821 1.00 33.43 C ATOM 1408 CD GLN A 99 -7.791 -20.316 1.590 1.00 32.45 C ATOM 1409 OE1 GLN A 99 -8.944 -20.749 1.614 1.00 11.52 O ATOM 1410 NE2 GLN A 99 -6.789 -20.912 2.225 1.00 41.25 N ATOM 0 H GLN A 99 -7.157 -16.145 3.500 1.00 52.12 H new ATOM 0 HA GLN A 99 -5.945 -18.648 3.043 1.00 13.40 H new ATOM 0 HB2 GLN A 99 -8.269 -17.841 2.382 1.00 70.31 H new ATOM 0 HB3 GLN A 99 -7.517 -16.932 1.086 1.00 70.31 H new ATOM 0 HG2 GLN A 99 -8.185 -18.906 0.030 1.00 33.43 H new ATOM 0 HG3 GLN A 99 -6.481 -19.180 0.337 1.00 33.43 H new ATOM 0 HE21 GLN A 99 -5.849 -20.518 2.178 1.00 41.25 H new ATOM 0 HE22 GLN A 99 -6.959 -21.764 2.760 1.00 41.25 H new ATOM 1417 N ILE A 100 -4.276 -18.452 1.168 1.00 72.24 N ATOM 1418 CA ILE A 100 -3.126 -18.299 0.287 1.00 74.30 C ATOM 1419 C ILE A 100 -3.345 -19.023 -1.036 1.00 31.23 C ATOM 1420 O ILE A 100 -4.177 -19.925 -1.147 1.00 51.10 O ATOM 1421 CB ILE A 100 -1.839 -18.831 0.944 1.00 41.32 C ATOM 1422 CG1 ILE A 100 -2.183 -19.761 2.109 1.00 51.51 C ATOM 1423 CG2 ILE A 100 -0.968 -17.677 1.418 1.00 23.11 C ATOM 1424 CD1 ILE A 100 -0.970 -20.394 2.755 1.00 22.21 C ATOM 0 H ILE A 100 -4.509 -19.419 1.395 1.00 72.24 H new ATOM 0 HA ILE A 100 -3.014 -17.231 0.099 1.00 74.30 H new ATOM 0 HB ILE A 100 -1.279 -19.400 0.202 1.00 41.32 H new ATOM 0 HG12 ILE A 100 -2.734 -19.198 2.863 1.00 51.51 H new ATOM 0 HG13 ILE A 100 -2.847 -20.548 1.751 1.00 51.51 H new ATOM 0 HG21 ILE A 100 -0.062 -18.070 1.880 1.00 23.11 H new ATOM 0 HG22 ILE A 100 -0.699 -17.051 0.567 1.00 23.11 H new ATOM 0 HG23 ILE A 100 -1.518 -17.082 2.147 1.00 23.11 H new ATOM 0 HD11 ILE A 100 -1.289 -21.040 3.573 1.00 22.21 H new ATOM 0 HD12 ILE A 100 -0.430 -20.985 2.015 1.00 22.21 H new ATOM 0 HD13 ILE A 100 -0.316 -19.614 3.143 1.00 22.21 H new ATOM 1435 N PRO A 101 -2.583 -18.623 -2.066 1.00 24.05 N ATOM 1436 CA PRO A 101 -2.674 -19.223 -3.399 1.00 45.21 C ATOM 1437 C PRO A 101 -2.140 -20.650 -3.430 1.00 2.11 C ATOM 1438 O PRO A 101 -1.678 -21.173 -2.417 1.00 43.20 O ATOM 1439 CB PRO A 101 -1.804 -18.307 -4.261 1.00 32.22 C ATOM 1440 CG PRO A 101 -0.835 -17.697 -3.308 1.00 33.44 C ATOM 1441 CD PRO A 101 -1.573 -17.554 -2.004 1.00 72.23 C ATOM 0 HA PRO A 101 -3.706 -19.299 -3.742 1.00 45.21 H new ATOM 0 HB2 PRO A 101 -1.291 -18.868 -5.042 1.00 32.22 H new ATOM 0 HB3 PRO A 101 -2.404 -17.544 -4.758 1.00 32.22 H new ATOM 0 HG2 PRO A 101 0.047 -18.327 -3.191 1.00 33.44 H new ATOM 0 HG3 PRO A 101 -0.489 -16.729 -3.669 1.00 33.44 H new ATOM 0 HD2 PRO A 101 -0.908 -17.679 -1.150 1.00 72.23 H new ATOM 0 HD3 PRO A 101 -2.034 -16.571 -1.908 1.00 72.23 H new ATOM 1446 N GLY A 102 -2.205 -21.276 -4.602 1.00 5.32 N ATOM 1447 CA GLY A 102 -1.722 -22.638 -4.742 1.00 75.45 C ATOM 1448 C GLY A 102 -2.209 -23.297 -6.018 1.00 75.40 C ATOM 1449 O GLY A 102 -1.426 -23.896 -6.754 1.00 72.32 O ATOM 0 H GLY A 102 -2.583 -20.865 -5.456 1.00 5.32 H new ATOM 0 HA2 GLY A 102 -0.632 -22.637 -4.730 1.00 75.45 H new ATOM 0 HA3 GLY A 102 -2.049 -23.226 -3.885 1.00 75.45 H new ATOM 1453 N LYS A 103 -3.507 -23.186 -6.281 1.00 3.21 N ATOM 1454 CA LYS A 103 -4.100 -23.776 -7.476 1.00 30.24 C ATOM 1455 C LYS A 103 -5.326 -22.985 -7.921 1.00 70.02 C ATOM 1456 O LYS A 103 -6.465 -23.432 -7.790 1.00 12.54 O ATOM 1457 CB LYS A 103 -4.488 -25.232 -7.212 1.00 45.50 C ATOM 1458 CG LYS A 103 -5.020 -25.952 -8.439 1.00 73.40 C ATOM 1459 CD LYS A 103 -5.857 -27.162 -8.057 1.00 43.14 C ATOM 1460 CE LYS A 103 -4.987 -28.381 -7.799 1.00 41.51 C ATOM 1461 NZ LYS A 103 -5.727 -29.652 -8.037 1.00 53.24 N ATOM 0 H LYS A 103 -4.169 -22.692 -5.682 1.00 3.21 H new ATOM 0 HA LYS A 103 -3.358 -23.743 -8.274 1.00 30.24 H new ATOM 0 HB2 LYS A 103 -3.617 -25.769 -6.835 1.00 45.50 H new ATOM 0 HB3 LYS A 103 -5.244 -25.261 -6.428 1.00 45.50 H new ATOM 0 HG2 LYS A 103 -5.623 -25.264 -9.033 1.00 73.40 H new ATOM 0 HG3 LYS A 103 -4.187 -26.268 -9.066 1.00 73.40 H new ATOM 0 HD2 LYS A 103 -6.441 -26.935 -7.165 1.00 43.14 H new ATOM 0 HD3 LYS A 103 -6.566 -27.382 -8.855 1.00 43.14 H new ATOM 0 HE2 LYS A 103 -4.110 -28.345 -8.446 1.00 41.51 H new ATOM 0 HE3 LYS A 103 -4.626 -28.358 -6.771 1.00 41.51 H new ATOM 0 HZ1 LYS A 103 -5.099 -30.460 -7.850 1.00 53.24 H new ATOM 0 HZ2 LYS A 103 -6.549 -29.699 -7.402 1.00 53.24 H new ATOM 0 HZ3 LYS A 103 -6.050 -29.686 -9.025 1.00 53.24 H new ATOM 1471 N PRO A 104 -5.089 -21.782 -8.465 1.00 33.43 N ATOM 1472 CA PRO A 104 -6.162 -20.905 -8.944 1.00 14.43 C ATOM 1473 C PRO A 104 -6.837 -21.447 -10.198 1.00 11.11 C ATOM 1474 O PRO A 104 -6.337 -22.377 -10.831 1.00 12.01 O ATOM 1475 CB PRO A 104 -5.437 -19.592 -9.251 1.00 11.41 C ATOM 1476 CG PRO A 104 -4.029 -19.994 -9.531 1.00 24.42 C ATOM 1477 CD PRO A 104 -3.756 -21.184 -8.653 1.00 41.43 C ATOM 0 HA PRO A 104 -6.963 -20.804 -8.212 1.00 14.43 H new ATOM 0 HB2 PRO A 104 -5.882 -19.085 -10.107 1.00 11.41 H new ATOM 0 HB3 PRO A 104 -5.492 -18.903 -8.408 1.00 11.41 H new ATOM 0 HG2 PRO A 104 -3.897 -20.247 -10.583 1.00 24.42 H new ATOM 0 HG3 PRO A 104 -3.339 -19.179 -9.310 1.00 24.42 H new ATOM 0 HD2 PRO A 104 -3.065 -21.882 -9.126 1.00 41.43 H new ATOM 0 HD3 PRO A 104 -3.310 -20.889 -7.703 1.00 41.43 H new ATOM 1482 N GLU A 105 -7.975 -20.858 -10.553 1.00 0.30 N ATOM 1483 CA GLU A 105 -8.719 -21.284 -11.732 1.00 54.25 C ATOM 1484 C GLU A 105 -9.739 -20.227 -12.145 1.00 73.23 C ATOM 1485 O GLU A 105 -10.253 -19.486 -11.309 1.00 22.24 O ATOM 1486 CB GLU A 105 -9.427 -22.616 -11.465 1.00 72.42 C ATOM 1487 CG GLU A 105 -9.806 -23.369 -12.728 1.00 72.34 C ATOM 1488 CD GLU A 105 -8.597 -23.898 -13.477 1.00 64.23 C ATOM 1489 OE1 GLU A 105 -7.616 -24.295 -12.813 1.00 63.43 O ATOM 1490 OE2 GLU A 105 -8.633 -23.916 -14.724 1.00 53.33 O ATOM 0 H GLU A 105 -8.401 -20.085 -10.041 1.00 0.30 H new ATOM 0 HA GLU A 105 -8.009 -21.416 -12.548 1.00 54.25 H new ATOM 0 HB2 GLU A 105 -8.778 -23.247 -10.857 1.00 72.42 H new ATOM 0 HB3 GLU A 105 -10.328 -22.428 -10.880 1.00 72.42 H new ATOM 0 HG2 GLU A 105 -10.460 -24.201 -12.468 1.00 72.34 H new ATOM 0 HG3 GLU A 105 -10.375 -22.709 -13.383 1.00 72.34 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 8.823 -13.382 -7.515 1.00 35.30 N ATOM 1497 CA ASP B 1 8.945 -12.439 -6.410 1.00 74.12 C ATOM 1498 C ASP B 1 7.610 -11.759 -6.125 1.00 34.53 C ATOM 1499 O ASP B 1 6.586 -12.114 -6.708 1.00 21.02 O ATOM 1500 CB ASP B 1 10.012 -11.388 -6.723 1.00 1.21 C ATOM 1501 CG ASP B 1 11.287 -12.001 -7.268 1.00 30.12 C ATOM 1502 OD1 ASP B 1 11.706 -13.056 -6.748 1.00 2.43 O ATOM 1503 OD2 ASP B 1 11.865 -11.425 -8.213 1.00 43.15 O ATOM 0 H1 ASP B 1 9.429 -14.208 -7.335 1.00 35.30 H new ATOM 0 H2 ASP B 1 7.833 -13.690 -7.601 1.00 35.30 H new ATOM 0 H3 ASP B 1 9.120 -12.921 -8.399 1.00 35.30 H new ATOM 0 HA ASP B 1 9.245 -12.995 -5.522 1.00 74.12 H new ATOM 0 HB2 ASP B 1 9.616 -10.677 -7.448 1.00 1.21 H new ATOM 0 HB3 ASP B 1 10.241 -10.826 -5.817 1.00 1.21 H new ATOM 1507 N GLU B 2 7.630 -10.779 -5.227 1.00 1.24 N ATOM 1508 CA GLU B 2 6.420 -10.051 -4.864 1.00 33.01 C ATOM 1509 C GLU B 2 6.599 -8.552 -5.089 1.00 23.13 C ATOM 1510 O GLU B 2 5.666 -7.857 -5.489 1.00 34.31 O ATOM 1511 CB GLU B 2 6.055 -10.320 -3.403 1.00 31.21 C ATOM 1512 CG GLU B 2 7.170 -9.987 -2.426 1.00 63.10 C ATOM 1513 CD GLU B 2 8.265 -11.034 -2.412 1.00 53.34 C ATOM 1514 OE1 GLU B 2 7.935 -12.236 -2.329 1.00 52.03 O ATOM 1515 OE2 GLU B 2 9.452 -10.653 -2.485 1.00 54.34 O ATOM 0 H GLU B 2 8.470 -10.471 -4.738 1.00 1.24 H new ATOM 0 HA GLU B 2 5.610 -10.402 -5.503 1.00 33.01 H new ATOM 0 HB2 GLU B 2 5.171 -9.737 -3.145 1.00 31.21 H new ATOM 0 HB3 GLU B 2 5.788 -11.371 -3.292 1.00 31.21 H new ATOM 0 HG2 GLU B 2 7.600 -9.020 -2.687 1.00 63.10 H new ATOM 0 HG3 GLU B 2 6.753 -9.890 -1.424 1.00 63.10 H new ATOM 1520 N PHE B 3 7.806 -8.061 -4.827 1.00 31.11 N ATOM 1521 CA PHE B 3 8.108 -6.645 -4.998 1.00 11.12 C ATOM 1522 C PHE B 3 9.532 -6.334 -4.542 1.00 63.03 C ATOM 1523 O PHE B 3 10.304 -7.226 -4.481 1.00 35.11 O ATOM 1524 CB PHE B 3 7.111 -5.790 -4.213 1.00 22.53 C ATOM 1525 CG PHE B 3 6.522 -4.667 -5.016 1.00 55.00 C ATOM 1526 CD1 PHE B 3 7.297 -3.971 -5.930 1.00 62.31 C ATOM 1527 CD2 PHE B 3 5.194 -4.305 -4.857 1.00 10.23 C ATOM 1528 CE1 PHE B 3 6.757 -2.936 -6.672 1.00 42.42 C ATOM 1529 CE2 PHE B 3 4.649 -3.273 -5.596 1.00 51.12 C ATOM 1530 CZ PHE B 3 5.431 -2.587 -6.504 1.00 33.13 C ATOM 0 H PHE B 3 8.590 -8.623 -4.496 1.00 31.11 H new ATOM 0 HA PHE B 3 8.024 -6.407 -6.058 1.00 11.12 H new ATOM 0 HB2 PHE B 3 6.305 -6.428 -3.849 1.00 22.53 H new ATOM 0 HB3 PHE B 3 7.610 -5.376 -3.337 1.00 22.53 H new ATOM 0 HD1 PHE B 3 8.334 -4.240 -6.065 1.00 62.31 H new ATOM 0 HD2 PHE B 3 4.578 -4.836 -4.147 1.00 10.23 H new ATOM 0 HE1 PHE B 3 7.371 -2.402 -7.382 1.00 42.42 H new ATOM 0 HE2 PHE B 3 3.612 -3.003 -5.464 1.00 51.12 H new ATOM 0 HZ PHE B 3 5.007 -1.779 -7.082 1.00 33.13 H new HETATM 1539 N MCL B 4 9.773 -5.139 -4.265 1.00 42.14 N HETATM 1540 CA MCL B 4 11.084 -4.680 -3.821 1.00 40.34 C HETATM 1541 CB MCL B 4 11.020 -3.187 -3.441 1.00 33.35 C HETATM 1542 CG MCL B 4 12.200 -2.432 -4.090 1.00 10.11 C HETATM 1543 CD MCL B 4 13.523 -2.865 -3.422 1.00 4.12 C HETATM 1544 CE MCL B 4 13.340 -2.900 -1.891 1.00 5.11 C HETATM 1545 NZ MCL B 4 12.723 -1.647 -1.435 1.00 61.31 N HETATM 1546 CX1 MCL B 4 13.612 -0.994 -0.389 1.00 65.15 C HETATM 1547 C1 MCL B 4 13.722 -1.918 0.839 1.00 32.43 C HETATM 1548 CX2 MCL B 4 13.043 0.370 0.043 1.00 41.42 C HETATM 1549 O1 MCL B 4 14.145 1.386 0.066 1.00 31.15 O HETATM 1550 O2 MCL B 4 11.986 0.801 -0.930 1.00 14.11 O HETATM 1551 C MCL B 4 11.464 -5.483 -2.628 1.00 13.04 C HETATM 1552 O MCL B 4 12.612 -5.904 -2.482 1.00 63.32 O HETATM 0 HZ MCL B 4 11.835 -1.273 -1.769 1.00 61.31 H new HETATM 0 HX1 MCL B 4 14.598 -0.834 -0.824 1.00 65.15 H new HETATM 0 HO1 MCL B 4 14.428 1.540 0.991 1.00 31.15 H new HETATM 0 HG3 MCL B 4 12.235 -2.642 -5.159 1.00 10.11 H new HETATM 0 HG2 MCL B 4 12.061 -1.356 -3.981 1.00 10.11 H new HETATM 0 HE3 MCL B 4 12.715 -3.747 -1.610 1.00 5.11 H new HETATM 0 HE2 MCL B 4 14.305 -3.040 -1.403 1.00 5.11 H new HETATM 0 HD3 MCL B 4 13.821 -3.848 -3.786 1.00 4.12 H new HETATM 0 HD2 MCL B 4 14.321 -2.171 -3.688 1.00 4.12 H new HETATM 0 HB3 MCL B 4 10.075 -2.758 -3.773 1.00 33.35 H new HETATM 0 HB2 MCL B 4 11.057 -3.076 -2.357 1.00 33.35 H new HETATM 0 HA MCL B 4 11.818 -4.802 -4.618 1.00 40.34 H new HETATM 0 H13 MCL B 4 12.730 -2.085 1.258 1.00 32.43 H new HETATM 0 H12 MCL B 4 14.155 -2.872 0.539 1.00 32.43 H new HETATM 0 H11 MCL B 4 14.359 -1.451 1.590 1.00 32.43 H new HETATM 0 H MCL B 4 8.986 -4.490 -4.287 1.00 42.14 H new ATOM 1568 N ALA B 5 10.494 -5.706 -1.746 1.00 73.44 N ATOM 1569 CA ALA B 5 10.728 -6.478 -0.533 1.00 3.04 C ATOM 1570 C ALA B 5 11.447 -7.786 -0.844 1.00 4.13 C ATOM 1571 O ALA B 5 11.083 -8.498 -1.781 1.00 64.20 O ATOM 1572 CB ALA B 5 9.412 -6.752 0.180 1.00 14.45 C ATOM 0 H ALA B 5 9.539 -5.363 -1.850 1.00 73.44 H new ATOM 0 HA ALA B 5 11.369 -5.890 0.124 1.00 3.04 H new ATOM 0 HB1 ALA B 5 9.602 -7.330 1.085 1.00 14.45 H new ATOM 0 HB2 ALA B 5 8.938 -5.807 0.446 1.00 14.45 H new ATOM 0 HB3 ALA B 5 8.752 -7.316 -0.479 1.00 14.45 H new ATOM 1578 N ASP B 6 12.466 -8.099 -0.053 1.00 13.43 N ATOM 1579 CA ASP B 6 13.236 -9.323 -0.244 1.00 31.21 C ATOM 1580 C ASP B 6 13.136 -10.225 0.983 1.00 33.42 C ATOM 1581 O ASP B 6 13.906 -11.173 1.132 1.00 70.21 O ATOM 1582 CB ASP B 6 14.701 -8.991 -0.530 1.00 11.23 C ATOM 1583 CG ASP B 6 15.380 -10.050 -1.376 1.00 32.13 C ATOM 1584 OD1 ASP B 6 15.032 -10.167 -2.571 1.00 42.43 O ATOM 1585 OD2 ASP B 6 16.259 -10.760 -0.845 1.00 62.02 O ATOM 0 H ASP B 6 12.779 -7.522 0.728 1.00 13.43 H new ATOM 0 HA ASP B 6 12.819 -9.855 -1.099 1.00 31.21 H new ATOM 0 HB2 ASP B 6 14.760 -8.030 -1.040 1.00 11.23 H new ATOM 0 HB3 ASP B 6 15.237 -8.885 0.413 1.00 11.23 H new ATOM 1589 N GLU B 7 12.183 -9.919 1.860 1.00 51.21 N ATOM 1590 CA GLU B 7 11.985 -10.701 3.074 1.00 12.43 C ATOM 1591 C GLU B 7 13.302 -10.884 3.825 1.00 73.13 C ATOM 1592 O GLU B 7 13.506 -11.887 4.507 1.00 65.33 O ATOM 1593 CB GLU B 7 11.387 -12.067 2.735 1.00 65.12 C ATOM 1594 CG GLU B 7 9.945 -11.998 2.258 1.00 41.51 C ATOM 1595 CD GLU B 7 9.613 -13.078 1.248 1.00 44.24 C ATOM 1596 OE1 GLU B 7 9.929 -12.891 0.054 1.00 40.32 O ATOM 1597 OE2 GLU B 7 9.036 -14.110 1.650 1.00 62.14 O ATOM 0 H GLU B 7 11.538 -9.136 1.752 1.00 51.21 H new ATOM 0 HA GLU B 7 11.292 -10.157 3.716 1.00 12.43 H new ATOM 0 HB2 GLU B 7 11.994 -12.539 1.963 1.00 65.12 H new ATOM 0 HB3 GLU B 7 11.439 -12.706 3.616 1.00 65.12 H new ATOM 0 HG2 GLU B 7 9.278 -12.090 3.115 1.00 41.51 H new ATOM 0 HG3 GLU B 7 9.760 -11.020 1.813 1.00 41.51 H new TER 1602 GLU B 7