USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 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 Single : A 4 GLN : amide:sc=-0.00511 X(o=-0.0051,f=-0.081) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00473 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= -0.58 (180deg=-2.02!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.444) USER MOD Single : A 34 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0651 (180deg=-0.352) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.06 K(o=-2.1,f=-9.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.83 K(o=-1.8,f=-4) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.0741 (180deg=-0.762) USER MOD Single : A 83 ASN : amide:sc=-0.000896 X(o=-0.0009,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.169 (180deg=0.129) USER MOD Single : A 91 SER OG : rot -130:sc= -1.15 USER MOD Single : A 92 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.111 F(o=-1.5,f=0.11) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 11.508 -3.542 4.837 1.00 2.11 N ATOM 19 CA ALA A 3 10.390 -4.439 4.575 1.00 65.41 C ATOM 20 C ALA A 3 9.669 -4.811 5.866 1.00 54.31 C ATOM 21 O ALA A 3 10.130 -5.670 6.618 1.00 23.22 O ATOM 22 CB ALA A 3 10.874 -5.691 3.859 1.00 71.22 C ATOM 0 HA ALA A 3 9.681 -3.917 3.932 1.00 65.41 H new ATOM 0 HB1 ALA A 3 10.028 -6.352 3.670 1.00 71.22 H new ATOM 0 HB2 ALA A 3 11.336 -5.413 2.912 1.00 71.22 H new ATOM 0 HB3 ALA A 3 11.605 -6.207 4.482 1.00 71.22 H new ATOM 28 N GLN A 4 8.539 -4.157 6.118 1.00 52.44 N ATOM 29 CA GLN A 4 7.758 -4.420 7.321 1.00 62.11 C ATOM 30 C GLN A 4 6.688 -5.474 7.056 1.00 13.02 C ATOM 31 O GLN A 4 5.989 -5.423 6.044 1.00 34.12 O ATOM 32 CB GLN A 4 7.106 -3.130 7.822 1.00 74.43 C ATOM 33 CG GLN A 4 6.585 -3.225 9.247 1.00 54.24 C ATOM 34 CD GLN A 4 6.561 -1.882 9.950 1.00 22.24 C ATOM 35 OE1 GLN A 4 7.591 -1.225 10.093 1.00 54.43 O ATOM 36 NE2 GLN A 4 5.380 -1.468 10.394 1.00 22.24 N ATOM 0 H GLN A 4 8.145 -3.442 5.506 1.00 52.44 H new ATOM 0 HA GLN A 4 8.434 -4.800 8.087 1.00 62.11 H new ATOM 0 HB2 GLN A 4 7.832 -2.319 7.763 1.00 74.43 H new ATOM 0 HB3 GLN A 4 6.281 -2.868 7.159 1.00 74.43 H new ATOM 0 HG2 GLN A 4 5.578 -3.642 9.235 1.00 54.24 H new ATOM 0 HG3 GLN A 4 7.210 -3.916 9.813 1.00 54.24 H new ATOM 0 HE21 GLN A 4 4.551 -2.046 10.253 1.00 22.24 H new ATOM 0 HE22 GLN A 4 5.302 -0.572 10.876 1.00 22.24 H new ATOM 43 N ASN A 5 6.567 -6.430 7.971 1.00 10.34 N ATOM 44 CA ASN A 5 5.583 -7.498 7.836 1.00 63.31 C ATOM 45 C ASN A 5 4.214 -7.044 8.336 1.00 54.35 C ATOM 46 O ASN A 5 4.061 -6.665 9.497 1.00 50.35 O ATOM 47 CB ASN A 5 6.035 -8.738 8.609 1.00 24.54 C ATOM 48 CG ASN A 5 7.211 -9.433 7.951 1.00 65.13 C ATOM 49 OD1 ASN A 5 7.072 -10.040 6.888 1.00 23.42 O ATOM 50 ND2 ASN A 5 8.377 -9.350 8.581 1.00 71.51 N ATOM 0 H ASN A 5 7.138 -6.487 8.814 1.00 10.34 H new ATOM 0 HA ASN A 5 5.499 -7.748 6.778 1.00 63.31 H new ATOM 0 HB2 ASN A 5 6.308 -8.450 9.624 1.00 24.54 H new ATOM 0 HB3 ASN A 5 5.202 -9.437 8.689 1.00 24.54 H new ATOM 0 HD21 ASN A 5 9.203 -9.800 8.186 1.00 71.51 H new ATOM 0 HD22 ASN A 5 8.447 -8.837 9.460 1.00 71.51 H new ATOM 56 N ILE A 6 3.223 -7.084 7.451 1.00 51.44 N ATOM 57 CA ILE A 6 1.869 -6.679 7.803 1.00 62.12 C ATOM 58 C ILE A 6 0.865 -7.783 7.490 1.00 1.32 C ATOM 59 O ILE A 6 0.737 -8.216 6.345 1.00 1.11 O ATOM 60 CB ILE A 6 1.453 -5.398 7.056 1.00 32.15 C ATOM 61 CG1 ILE A 6 2.389 -4.243 7.418 1.00 4.40 C ATOM 62 CG2 ILE A 6 0.010 -5.039 7.382 1.00 54.11 C ATOM 63 CD1 ILE A 6 2.410 -3.924 8.897 1.00 52.20 C ATOM 0 H ILE A 6 3.333 -7.393 6.485 1.00 51.44 H new ATOM 0 HA ILE A 6 1.868 -6.483 8.875 1.00 62.12 H new ATOM 0 HB ILE A 6 1.529 -5.580 5.984 1.00 32.15 H new ATOM 0 HG12 ILE A 6 3.400 -4.490 7.093 1.00 4.40 H new ATOM 0 HG13 ILE A 6 2.085 -3.353 6.867 1.00 4.40 H new ATOM 0 HG21 ILE A 6 -0.269 -4.132 6.847 1.00 54.11 H new ATOM 0 HG22 ILE A 6 -0.645 -5.855 7.079 1.00 54.11 H new ATOM 0 HG23 ILE A 6 -0.090 -4.873 8.455 1.00 54.11 H new ATOM 0 HD11 ILE A 6 3.094 -3.096 9.081 1.00 52.20 H new ATOM 0 HD12 ILE A 6 1.408 -3.646 9.224 1.00 52.20 H new ATOM 0 HD13 ILE A 6 2.743 -4.800 9.453 1.00 52.20 H new ATOM 74 N THR A 7 0.154 -8.237 8.518 1.00 4.01 N ATOM 75 CA THR A 7 -0.839 -9.292 8.354 1.00 75.04 C ATOM 76 C THR A 7 -2.239 -8.709 8.194 1.00 72.21 C ATOM 77 O THR A 7 -2.585 -7.716 8.833 1.00 45.01 O ATOM 78 CB THR A 7 -0.832 -10.259 9.552 1.00 3.11 C ATOM 79 OG1 THR A 7 -0.732 -9.525 10.777 1.00 34.31 O ATOM 80 CG2 THR A 7 0.325 -11.243 9.448 1.00 24.44 C ATOM 0 H THR A 7 0.247 -7.891 9.473 1.00 4.01 H new ATOM 0 HA THR A 7 -0.572 -9.841 7.451 1.00 75.04 H new ATOM 0 HB THR A 7 -1.767 -10.819 9.542 1.00 3.11 H new ATOM 0 HG1 THR A 7 -0.730 -10.149 11.533 1.00 34.31 H new ATOM 0 HG21 THR A 7 0.309 -11.916 10.306 1.00 24.44 H new ATOM 0 HG22 THR A 7 0.228 -11.823 8.530 1.00 24.44 H new ATOM 0 HG23 THR A 7 1.268 -10.696 9.434 1.00 24.44 H new ATOM 88 N ALA A 8 -3.040 -9.332 7.335 1.00 3.53 N ATOM 89 CA ALA A 8 -4.402 -8.877 7.094 1.00 50.03 C ATOM 90 C ALA A 8 -5.327 -10.050 6.787 1.00 3.23 C ATOM 91 O ALA A 8 -4.868 -11.155 6.495 1.00 4.33 O ATOM 92 CB ALA A 8 -4.427 -7.870 5.954 1.00 32.41 C ATOM 0 H ALA A 8 -2.768 -10.153 6.795 1.00 3.53 H new ATOM 0 HA ALA A 8 -4.763 -8.392 8.001 1.00 50.03 H new ATOM 0 HB1 ALA A 8 -5.451 -7.538 5.784 1.00 32.41 H new ATOM 0 HB2 ALA A 8 -3.806 -7.013 6.212 1.00 32.41 H new ATOM 0 HB3 ALA A 8 -4.042 -8.337 5.047 1.00 32.41 H new ATOM 98 N ARG A 9 -6.631 -9.803 6.855 1.00 74.00 N ATOM 99 CA ARG A 9 -7.621 -10.841 6.586 1.00 14.11 C ATOM 100 C ARG A 9 -8.583 -10.401 5.487 1.00 20.30 C ATOM 101 O ARG A 9 -8.872 -9.213 5.340 1.00 12.02 O ATOM 102 CB ARG A 9 -8.400 -11.174 7.858 1.00 2.34 C ATOM 103 CG ARG A 9 -7.879 -12.401 8.587 1.00 3.22 C ATOM 104 CD ARG A 9 -6.902 -12.022 9.690 1.00 2.14 C ATOM 105 NE ARG A 9 -6.888 -13.004 10.771 1.00 65.24 N ATOM 106 CZ ARG A 9 -7.846 -13.105 11.685 1.00 2.45 C ATOM 107 NH1 ARG A 9 -8.890 -12.288 11.649 1.00 34.34 N ATOM 108 NH2 ARG A 9 -7.763 -14.025 12.638 1.00 42.12 N ATOM 0 H ARG A 9 -7.027 -8.894 7.094 1.00 74.00 H new ATOM 0 HA ARG A 9 -7.094 -11.733 6.248 1.00 14.11 H new ATOM 0 HB2 ARG A 9 -8.362 -10.318 8.532 1.00 2.34 H new ATOM 0 HB3 ARG A 9 -9.448 -11.332 7.602 1.00 2.34 H new ATOM 0 HG2 ARG A 9 -8.715 -12.954 9.015 1.00 3.22 H new ATOM 0 HG3 ARG A 9 -7.387 -13.066 7.877 1.00 3.22 H new ATOM 0 HD2 ARG A 9 -5.900 -11.930 9.271 1.00 2.14 H new ATOM 0 HD3 ARG A 9 -7.170 -11.045 10.092 1.00 2.14 H new ATOM 0 HE ARG A 9 -6.099 -13.648 10.827 1.00 65.24 H new ATOM 0 HH11 ARG A 9 -8.959 -11.580 10.918 1.00 34.34 H new ATOM 0 HH12 ARG A 9 -9.624 -12.368 12.352 1.00 34.34 H new ATOM 0 HH21 ARG A 9 -6.962 -14.656 12.669 1.00 42.12 H new ATOM 0 HH22 ARG A 9 -8.500 -14.101 13.339 1.00 42.12 H new ATOM 119 N ILE A 10 -9.076 -11.366 4.720 1.00 63.41 N ATOM 120 CA ILE A 10 -10.008 -11.078 3.635 1.00 42.10 C ATOM 121 C ILE A 10 -11.232 -10.326 4.146 1.00 15.31 C ATOM 122 O ILE A 10 -11.952 -10.811 5.018 1.00 31.11 O ATOM 123 CB ILE A 10 -10.470 -12.370 2.932 1.00 35.32 C ATOM 124 CG1 ILE A 10 -9.267 -13.124 2.362 1.00 13.40 C ATOM 125 CG2 ILE A 10 -11.469 -12.045 1.831 1.00 12.04 C ATOM 126 CD1 ILE A 10 -9.539 -14.589 2.106 1.00 41.11 C ATOM 0 H ILE A 10 -8.847 -12.354 4.829 1.00 63.41 H new ATOM 0 HA ILE A 10 -9.474 -10.454 2.918 1.00 42.10 H new ATOM 0 HB ILE A 10 -10.962 -13.010 3.665 1.00 35.32 H new ATOM 0 HG12 ILE A 10 -8.961 -12.651 1.429 1.00 13.40 H new ATOM 0 HG13 ILE A 10 -8.430 -13.034 3.055 1.00 13.40 H new ATOM 0 HG21 ILE A 10 -11.786 -12.967 1.344 1.00 12.04 H new ATOM 0 HG22 ILE A 10 -12.336 -11.546 2.263 1.00 12.04 H new ATOM 0 HG23 ILE A 10 -11.001 -11.389 1.097 1.00 12.04 H new ATOM 0 HD11 ILE A 10 -8.643 -15.060 1.703 1.00 41.11 H new ATOM 0 HD12 ILE A 10 -9.816 -15.076 3.041 1.00 41.11 H new ATOM 0 HD13 ILE A 10 -10.355 -14.688 1.390 1.00 41.11 H new ATOM 137 N GLY A 11 -11.461 -9.138 3.595 1.00 21.35 N ATOM 138 CA GLY A 11 -12.600 -8.337 4.008 1.00 21.33 C ATOM 139 C GLY A 11 -12.301 -7.487 5.225 1.00 13.43 C ATOM 140 O GLY A 11 -13.180 -6.796 5.739 1.00 53.05 O ATOM 0 H GLY A 11 -10.879 -8.716 2.871 1.00 21.35 H new ATOM 0 HA2 GLY A 11 -12.904 -7.692 3.184 1.00 21.33 H new ATOM 0 HA3 GLY A 11 -13.442 -8.994 4.226 1.00 21.33 H new ATOM 144 N GLU A 12 -11.056 -7.537 5.690 1.00 30.02 N ATOM 145 CA GLU A 12 -10.644 -6.765 6.856 1.00 43.20 C ATOM 146 C GLU A 12 -9.881 -5.511 6.439 1.00 41.33 C ATOM 147 O GLU A 12 -9.080 -5.525 5.504 1.00 53.11 O ATOM 148 CB GLU A 12 -9.776 -7.622 7.781 1.00 10.33 C ATOM 149 CG GLU A 12 -10.497 -8.836 8.342 1.00 21.20 C ATOM 150 CD GLU A 12 -11.903 -8.513 8.811 1.00 4.40 C ATOM 151 OE1 GLU A 12 -12.068 -7.520 9.550 1.00 21.11 O ATOM 152 OE2 GLU A 12 -12.837 -9.254 8.440 1.00 63.52 O ATOM 0 H GLU A 12 -10.316 -8.104 5.277 1.00 30.02 H new ATOM 0 HA GLU A 12 -11.542 -6.459 7.393 1.00 43.20 H new ATOM 0 HB2 GLU A 12 -8.895 -7.955 7.233 1.00 10.33 H new ATOM 0 HB3 GLU A 12 -9.423 -7.006 8.608 1.00 10.33 H new ATOM 0 HG2 GLU A 12 -10.542 -9.613 7.578 1.00 21.20 H new ATOM 0 HG3 GLU A 12 -9.924 -9.242 9.176 1.00 21.20 H new ATOM 157 N PRO A 13 -10.134 -4.402 7.149 1.00 72.02 N ATOM 158 CA PRO A 13 -9.480 -3.120 6.871 1.00 34.42 C ATOM 159 C PRO A 13 -8.000 -3.132 7.234 1.00 42.01 C ATOM 160 O PRO A 13 -7.597 -3.753 8.220 1.00 34.41 O ATOM 161 CB PRO A 13 -10.241 -2.134 7.761 1.00 71.20 C ATOM 162 CG PRO A 13 -10.779 -2.966 8.873 1.00 10.34 C ATOM 163 CD PRO A 13 -11.076 -4.315 8.276 1.00 33.33 C ATOM 0 HA PRO A 13 -9.509 -2.870 5.811 1.00 34.42 H new ATOM 0 HB2 PRO A 13 -9.583 -1.350 8.136 1.00 71.20 H new ATOM 0 HB3 PRO A 13 -11.043 -1.642 7.211 1.00 71.20 H new ATOM 0 HG2 PRO A 13 -10.055 -3.049 9.684 1.00 10.34 H new ATOM 0 HG3 PRO A 13 -11.679 -2.519 9.294 1.00 10.34 H new ATOM 0 HD2 PRO A 13 -10.917 -5.117 8.996 1.00 33.33 H new ATOM 0 HD3 PRO A 13 -12.111 -4.388 7.942 1.00 33.33 H new ATOM 168 N LEU A 14 -7.194 -2.445 6.434 1.00 74.00 N ATOM 169 CA LEU A 14 -5.755 -2.376 6.672 1.00 12.42 C ATOM 170 C LEU A 14 -5.206 -1.003 6.294 1.00 12.42 C ATOM 171 O LEU A 14 -5.642 -0.396 5.319 1.00 70.45 O ATOM 172 CB LEU A 14 -5.034 -3.464 5.875 1.00 2.45 C ATOM 173 CG LEU A 14 -3.516 -3.529 6.050 1.00 62.21 C ATOM 174 CD1 LEU A 14 -3.159 -3.850 7.493 1.00 14.01 C ATOM 175 CD2 LEU A 14 -2.915 -4.561 5.107 1.00 10.51 C ATOM 0 H LEU A 14 -7.511 -1.927 5.614 1.00 74.00 H new ATOM 0 HA LEU A 14 -5.579 -2.537 7.736 1.00 12.42 H new ATOM 0 HB2 LEU A 14 -5.454 -4.430 6.155 1.00 2.45 H new ATOM 0 HB3 LEU A 14 -5.252 -3.316 4.817 1.00 2.45 H new ATOM 0 HG LEU A 14 -3.098 -2.553 5.803 1.00 62.21 H new ATOM 0 HD11 LEU A 14 -2.075 -3.892 7.599 1.00 14.01 H new ATOM 0 HD12 LEU A 14 -3.558 -3.075 8.147 1.00 14.01 H new ATOM 0 HD13 LEU A 14 -3.588 -4.813 7.768 1.00 14.01 H new ATOM 0 HD21 LEU A 14 -1.834 -4.594 5.245 1.00 10.51 H new ATOM 0 HD22 LEU A 14 -3.339 -5.542 5.323 1.00 10.51 H new ATOM 0 HD23 LEU A 14 -3.141 -4.287 4.076 1.00 10.51 H new ATOM 186 N VAL A 15 -4.244 -0.522 7.076 1.00 10.42 N ATOM 187 CA VAL A 15 -3.631 0.776 6.822 1.00 25.25 C ATOM 188 C VAL A 15 -2.126 0.644 6.619 1.00 10.43 C ATOM 189 O VAL A 15 -1.478 -0.207 7.231 1.00 62.03 O ATOM 190 CB VAL A 15 -3.897 1.758 7.979 1.00 53.35 C ATOM 191 CG1 VAL A 15 -3.346 3.137 7.647 1.00 41.34 C ATOM 192 CG2 VAL A 15 -5.386 1.831 8.284 1.00 44.42 C ATOM 0 H VAL A 15 -3.873 -1.012 7.890 1.00 10.42 H new ATOM 0 HA VAL A 15 -4.084 1.167 5.911 1.00 25.25 H new ATOM 0 HB VAL A 15 -3.384 1.392 8.868 1.00 53.35 H new ATOM 0 HG11 VAL A 15 -3.543 3.817 8.476 1.00 41.34 H new ATOM 0 HG12 VAL A 15 -2.271 3.069 7.482 1.00 41.34 H new ATOM 0 HG13 VAL A 15 -3.829 3.514 6.745 1.00 41.34 H new ATOM 0 HG21 VAL A 15 -5.556 2.529 9.104 1.00 44.42 H new ATOM 0 HG22 VAL A 15 -5.922 2.173 7.399 1.00 44.42 H new ATOM 0 HG23 VAL A 15 -5.748 0.843 8.568 1.00 44.42 H new ATOM 202 N LEU A 16 -1.575 1.490 5.756 1.00 12.44 N ATOM 203 CA LEU A 16 -0.144 1.469 5.471 1.00 31.03 C ATOM 204 C LEU A 16 0.448 2.873 5.550 1.00 65.44 C ATOM 205 O LEU A 16 -0.216 3.858 5.227 1.00 43.02 O ATOM 206 CB LEU A 16 0.112 0.871 4.087 1.00 62.54 C ATOM 207 CG LEU A 16 -0.220 -0.612 3.924 1.00 40.23 C ATOM 208 CD1 LEU A 16 0.103 -1.080 2.513 1.00 4.11 C ATOM 209 CD2 LEU A 16 0.537 -1.444 4.949 1.00 13.44 C ATOM 0 H LEU A 16 -2.097 2.199 5.241 1.00 12.44 H new ATOM 0 HA LEU A 16 0.342 0.848 6.223 1.00 31.03 H new ATOM 0 HB2 LEU A 16 -0.468 1.435 3.357 1.00 62.54 H new ATOM 0 HB3 LEU A 16 1.163 1.017 3.839 1.00 62.54 H new ATOM 0 HG LEU A 16 -1.288 -0.746 4.094 1.00 40.23 H new ATOM 0 HD11 LEU A 16 -0.140 -2.138 2.416 1.00 4.11 H new ATOM 0 HD12 LEU A 16 -0.484 -0.506 1.796 1.00 4.11 H new ATOM 0 HD13 LEU A 16 1.164 -0.932 2.315 1.00 4.11 H new ATOM 0 HD21 LEU A 16 0.288 -2.497 4.818 1.00 13.44 H new ATOM 0 HD22 LEU A 16 1.609 -1.304 4.811 1.00 13.44 H new ATOM 0 HD23 LEU A 16 0.256 -1.127 5.954 1.00 13.44 H new ATOM 220 N LYS A 17 1.703 2.957 5.978 1.00 50.12 N ATOM 221 CA LYS A 17 2.388 4.240 6.096 1.00 64.04 C ATOM 222 C LYS A 17 3.531 4.339 5.091 1.00 43.01 C ATOM 223 O LYS A 17 4.124 3.331 4.707 1.00 20.11 O ATOM 224 CB LYS A 17 2.925 4.425 7.517 1.00 70.33 C ATOM 225 CG LYS A 17 3.418 5.833 7.800 1.00 32.12 C ATOM 226 CD LYS A 17 3.407 6.139 9.288 1.00 20.13 C ATOM 227 CE LYS A 17 2.012 6.509 9.770 1.00 72.31 C ATOM 228 NZ LYS A 17 2.014 6.943 11.194 1.00 41.41 N ATOM 0 H LYS A 17 2.267 2.152 6.249 1.00 50.12 H new ATOM 0 HA LYS A 17 1.669 5.030 5.881 1.00 64.04 H new ATOM 0 HB2 LYS A 17 2.139 4.174 8.229 1.00 70.33 H new ATOM 0 HB3 LYS A 17 3.742 3.722 7.683 1.00 70.33 H new ATOM 0 HG2 LYS A 17 4.429 5.950 7.411 1.00 32.12 H new ATOM 0 HG3 LYS A 17 2.789 6.552 7.275 1.00 32.12 H new ATOM 0 HD2 LYS A 17 3.766 5.272 9.842 1.00 20.13 H new ATOM 0 HD3 LYS A 17 4.095 6.958 9.497 1.00 20.13 H new ATOM 0 HE2 LYS A 17 1.613 7.310 9.147 1.00 72.31 H new ATOM 0 HE3 LYS A 17 1.348 5.653 9.652 1.00 72.31 H new ATOM 0 HZ1 LYS A 17 1.045 7.186 11.484 1.00 41.41 H new ATOM 0 HZ2 LYS A 17 2.371 6.170 11.792 1.00 41.41 H new ATOM 0 HZ3 LYS A 17 2.627 7.776 11.302 1.00 41.41 H new ATOM 238 N CYS A 18 3.836 5.562 4.669 1.00 54.03 N ATOM 239 CA CYS A 18 4.908 5.795 3.710 1.00 55.22 C ATOM 240 C CYS A 18 6.108 6.452 4.386 1.00 55.33 C ATOM 241 O CYS A 18 6.120 7.661 4.621 1.00 20.20 O ATOM 242 CB CYS A 18 4.412 6.675 2.561 1.00 14.33 C ATOM 243 SG CYS A 18 5.730 7.254 1.445 1.00 64.21 S ATOM 0 H CYS A 18 3.355 6.407 4.977 1.00 54.03 H new ATOM 0 HA CYS A 18 5.220 4.830 3.311 1.00 55.22 H new ATOM 0 HB2 CYS A 18 3.678 6.116 1.980 1.00 14.33 H new ATOM 0 HB3 CYS A 18 3.897 7.541 2.977 1.00 14.33 H new ATOM 247 N LYS A 19 7.120 5.646 4.696 1.00 74.11 N ATOM 248 CA LYS A 19 8.327 6.148 5.344 1.00 64.42 C ATOM 249 C LYS A 19 8.952 7.277 4.530 1.00 43.11 C ATOM 250 O LYS A 19 9.211 7.125 3.337 1.00 71.53 O ATOM 251 CB LYS A 19 9.339 5.014 5.526 1.00 34.14 C ATOM 252 CG LYS A 19 8.795 3.834 6.311 1.00 54.33 C ATOM 253 CD LYS A 19 8.106 4.283 7.588 1.00 11.23 C ATOM 254 CE LYS A 19 9.055 5.053 8.494 1.00 41.12 C ATOM 255 NZ LYS A 19 8.574 6.439 8.750 1.00 32.41 N ATOM 0 H LYS A 19 7.128 4.643 4.509 1.00 74.11 H new ATOM 0 HA LYS A 19 8.050 6.541 6.322 1.00 64.42 H new ATOM 0 HB2 LYS A 19 9.665 4.668 4.545 1.00 34.14 H new ATOM 0 HB3 LYS A 19 10.221 5.403 6.035 1.00 34.14 H new ATOM 0 HG2 LYS A 19 8.090 3.278 5.692 1.00 54.33 H new ATOM 0 HG3 LYS A 19 9.610 3.153 6.556 1.00 54.33 H new ATOM 0 HD2 LYS A 19 7.250 4.910 7.339 1.00 11.23 H new ATOM 0 HD3 LYS A 19 7.720 3.413 8.119 1.00 11.23 H new ATOM 0 HE2 LYS A 19 9.162 4.525 9.441 1.00 41.12 H new ATOM 0 HE3 LYS A 19 10.044 5.090 8.037 1.00 41.12 H new ATOM 0 HZ1 LYS A 19 8.807 6.713 9.726 1.00 32.41 H new ATOM 0 HZ2 LYS A 19 9.035 7.094 8.087 1.00 32.41 H new ATOM 0 HZ3 LYS A 19 7.543 6.479 8.616 1.00 32.41 H new ATOM 265 N GLY A 20 9.193 8.409 5.185 1.00 42.14 N ATOM 266 CA GLY A 20 9.787 9.545 4.506 1.00 13.53 C ATOM 267 C GLY A 20 8.947 10.800 4.631 1.00 22.45 C ATOM 268 O GLY A 20 9.478 11.899 4.790 1.00 65.25 O ATOM 0 H GLY A 20 8.988 8.559 6.173 1.00 42.14 H new ATOM 0 HA2 GLY A 20 10.778 9.733 4.918 1.00 13.53 H new ATOM 0 HA3 GLY A 20 9.921 9.305 3.451 1.00 13.53 H new ATOM 272 N ALA A 21 7.629 10.637 4.556 1.00 10.22 N ATOM 273 CA ALA A 21 6.712 11.765 4.663 1.00 71.01 C ATOM 274 C ALA A 21 6.277 11.985 6.107 1.00 2.03 C ATOM 275 O ALA A 21 5.909 11.049 6.819 1.00 23.22 O ATOM 276 CB ALA A 21 5.500 11.545 3.771 1.00 35.31 C ATOM 0 H ALA A 21 7.173 9.734 4.422 1.00 10.22 H new ATOM 0 HA ALA A 21 7.236 12.661 4.330 1.00 71.01 H new ATOM 0 HB1 ALA A 21 4.823 12.395 3.861 1.00 35.31 H new ATOM 0 HB2 ALA A 21 5.824 11.447 2.735 1.00 35.31 H new ATOM 0 HB3 ALA A 21 4.983 10.636 4.077 1.00 35.31 H new ATOM 282 N PRO A 22 6.318 13.248 6.554 1.00 52.32 N ATOM 283 CA PRO A 22 5.931 13.619 7.918 1.00 25.52 C ATOM 284 C PRO A 22 4.430 13.483 8.152 1.00 22.02 C ATOM 285 O PRO A 22 3.726 12.839 7.374 1.00 20.04 O ATOM 286 CB PRO A 22 6.357 15.086 8.022 1.00 54.35 C ATOM 287 CG PRO A 22 6.348 15.583 6.617 1.00 0.05 C ATOM 288 CD PRO A 22 6.747 14.413 5.761 1.00 2.23 C ATOM 0 HA PRO A 22 6.395 12.972 8.663 1.00 25.52 H new ATOM 0 HB2 PRO A 22 5.669 15.655 8.648 1.00 54.35 H new ATOM 0 HB3 PRO A 22 7.347 15.180 8.469 1.00 54.35 H new ATOM 0 HG2 PRO A 22 5.360 15.951 6.339 1.00 0.05 H new ATOM 0 HG3 PRO A 22 7.044 16.413 6.492 1.00 0.05 H new ATOM 0 HD2 PRO A 22 6.255 14.440 4.789 1.00 2.23 H new ATOM 0 HD3 PRO A 22 7.821 14.399 5.575 1.00 2.23 H new ATOM 293 N LYS A 23 3.946 14.093 9.228 1.00 32.02 N ATOM 294 CA LYS A 23 2.529 14.041 9.565 1.00 23.33 C ATOM 295 C LYS A 23 1.668 14.364 8.347 1.00 32.03 C ATOM 296 O LYS A 23 0.746 13.621 8.011 1.00 53.04 O ATOM 297 CB LYS A 23 2.216 15.024 10.697 1.00 1.35 C ATOM 298 CG LYS A 23 2.624 14.517 12.070 1.00 21.22 C ATOM 299 CD LYS A 23 4.070 14.862 12.385 1.00 72.21 C ATOM 300 CE LYS A 23 4.338 14.826 13.881 1.00 4.03 C ATOM 301 NZ LYS A 23 3.977 16.111 14.541 1.00 5.43 N ATOM 0 H LYS A 23 4.515 14.630 9.882 1.00 32.02 H new ATOM 0 HA LYS A 23 2.297 13.029 9.895 1.00 23.33 H new ATOM 0 HB2 LYS A 23 2.726 15.967 10.500 1.00 1.35 H new ATOM 0 HB3 LYS A 23 1.147 15.235 10.699 1.00 1.35 H new ATOM 0 HG2 LYS A 23 1.972 14.951 12.828 1.00 21.22 H new ATOM 0 HG3 LYS A 23 2.489 13.436 12.115 1.00 21.22 H new ATOM 0 HD2 LYS A 23 4.731 14.159 11.879 1.00 72.21 H new ATOM 0 HD3 LYS A 23 4.302 15.854 11.997 1.00 72.21 H new ATOM 0 HE2 LYS A 23 3.768 14.014 14.332 1.00 4.03 H new ATOM 0 HE3 LYS A 23 5.392 14.612 14.056 1.00 4.03 H new ATOM 0 HZ1 LYS A 23 4.175 16.045 15.560 1.00 5.43 H new ATOM 0 HZ2 LYS A 23 4.539 16.883 14.128 1.00 5.43 H new ATOM 0 HZ3 LYS A 23 2.965 16.303 14.396 1.00 5.43 H new ATOM 311 N LYS A 24 1.977 15.476 7.688 1.00 54.45 N ATOM 312 CA LYS A 24 1.235 15.895 6.505 1.00 35.24 C ATOM 313 C LYS A 24 2.097 15.778 5.252 1.00 30.44 C ATOM 314 O LYS A 24 3.323 15.869 5.302 1.00 2.12 O ATOM 315 CB LYS A 24 0.749 17.339 6.668 1.00 42.32 C ATOM 316 CG LYS A 24 -0.764 17.470 6.698 1.00 5.22 C ATOM 317 CD LYS A 24 -1.256 17.948 8.055 1.00 11.41 C ATOM 318 CE LYS A 24 -2.756 18.197 8.048 1.00 0.13 C ATOM 319 NZ LYS A 24 -3.316 18.249 9.426 1.00 34.13 N ATOM 0 H LYS A 24 2.736 16.103 7.953 1.00 54.45 H new ATOM 0 HA LYS A 24 0.373 15.237 6.395 1.00 35.24 H new ATOM 0 HB2 LYS A 24 1.160 17.750 7.590 1.00 42.32 H new ATOM 0 HB3 LYS A 24 1.142 17.941 5.848 1.00 42.32 H new ATOM 0 HG2 LYS A 24 -1.085 18.170 5.926 1.00 5.22 H new ATOM 0 HG3 LYS A 24 -1.218 16.507 6.464 1.00 5.22 H new ATOM 0 HD2 LYS A 24 -1.013 17.204 8.814 1.00 11.41 H new ATOM 0 HD3 LYS A 24 -0.735 18.865 8.330 1.00 11.41 H new ATOM 0 HE2 LYS A 24 -2.966 19.136 7.535 1.00 0.13 H new ATOM 0 HE3 LYS A 24 -3.253 17.408 7.484 1.00 0.13 H new ATOM 0 HZ1 LYS A 24 -4.341 18.420 9.378 1.00 34.13 H new ATOM 0 HZ2 LYS A 24 -3.138 17.344 9.907 1.00 34.13 H new ATOM 0 HZ3 LYS A 24 -2.861 19.019 9.957 1.00 34.13 H new ATOM 366 N ARG A 28 4.890 16.561 -3.781 1.00 33.25 N ATOM 367 CA ARG A 28 4.254 15.492 -4.540 1.00 22.21 C ATOM 368 C ARG A 28 4.945 14.157 -4.283 1.00 44.51 C ATOM 369 O ARG A 28 6.173 14.067 -4.302 1.00 74.12 O ATOM 370 CB ARG A 28 4.281 15.813 -6.034 1.00 71.55 C ATOM 371 CG ARG A 28 3.563 17.105 -6.394 1.00 2.40 C ATOM 372 CD ARG A 28 2.061 16.897 -6.495 1.00 64.51 C ATOM 373 NE ARG A 28 1.706 15.974 -7.571 1.00 52.31 N ATOM 374 CZ ARG A 28 0.467 15.813 -8.023 1.00 5.51 C ATOM 375 NH1 ARG A 28 -0.531 16.509 -7.493 1.00 1.31 N ATOM 376 NH2 ARG A 28 0.224 14.955 -9.005 1.00 1.55 N ATOM 0 HA ARG A 28 3.218 15.414 -4.211 1.00 22.21 H new ATOM 0 HB2 ARG A 28 5.318 15.880 -6.364 1.00 71.55 H new ATOM 0 HB3 ARG A 28 3.824 14.989 -6.582 1.00 71.55 H new ATOM 0 HG2 ARG A 28 3.777 17.863 -5.641 1.00 2.40 H new ATOM 0 HG3 ARG A 28 3.944 17.482 -7.343 1.00 2.40 H new ATOM 0 HD2 ARG A 28 1.684 16.511 -5.548 1.00 64.51 H new ATOM 0 HD3 ARG A 28 1.573 17.857 -6.665 1.00 64.51 H new ATOM 0 HE ARG A 28 2.450 15.423 -7.999 1.00 52.31 H new ATOM 0 HH11 ARG A 28 -0.348 17.169 -6.737 1.00 1.31 H new ATOM 0 HH12 ARG A 28 -1.481 16.384 -7.841 1.00 1.31 H new ATOM 0 HH21 ARG A 28 0.989 14.418 -9.414 1.00 1.55 H new ATOM 0 HH22 ARG A 28 -0.728 14.832 -9.351 1.00 1.55 H new ATOM 387 N LEU A 29 4.150 13.121 -4.041 1.00 64.11 N ATOM 388 CA LEU A 29 4.685 11.788 -3.780 1.00 34.23 C ATOM 389 C LEU A 29 3.902 10.727 -4.545 1.00 23.11 C ATOM 390 O LEU A 29 2.687 10.840 -4.714 1.00 54.42 O ATOM 391 CB LEU A 29 4.645 11.488 -2.282 1.00 5.33 C ATOM 392 CG LEU A 29 3.471 12.088 -1.506 1.00 72.53 C ATOM 393 CD1 LEU A 29 2.158 11.469 -1.960 1.00 44.32 C ATOM 394 CD2 LEU A 29 3.665 11.895 -0.010 1.00 1.12 C ATOM 0 H LEU A 29 3.132 13.178 -4.020 1.00 64.11 H new ATOM 0 HA LEU A 29 5.720 11.764 -4.122 1.00 34.23 H new ATOM 0 HB2 LEU A 29 4.627 10.406 -2.149 1.00 5.33 H new ATOM 0 HB3 LEU A 29 5.572 11.848 -1.835 1.00 5.33 H new ATOM 0 HG LEU A 29 3.434 13.158 -1.712 1.00 72.53 H new ATOM 0 HD11 LEU A 29 1.335 11.908 -1.397 1.00 44.32 H new ATOM 0 HD12 LEU A 29 2.014 11.661 -3.023 1.00 44.32 H new ATOM 0 HD13 LEU A 29 2.183 10.393 -1.786 1.00 44.32 H new ATOM 0 HD21 LEU A 29 2.820 12.328 0.525 1.00 1.12 H new ATOM 0 HD22 LEU A 29 3.729 10.830 0.214 1.00 1.12 H new ATOM 0 HD23 LEU A 29 4.585 12.388 0.304 1.00 1.12 H new ATOM 405 N GLU A 30 4.605 9.696 -5.003 1.00 72.52 N ATOM 406 CA GLU A 30 3.974 8.613 -5.749 1.00 15.12 C ATOM 407 C GLU A 30 4.210 7.270 -5.063 1.00 74.14 C ATOM 408 O GLU A 30 5.331 6.951 -4.672 1.00 11.44 O ATOM 409 CB GLU A 30 4.512 8.569 -7.181 1.00 31.55 C ATOM 410 CG GLU A 30 3.519 8.013 -8.188 1.00 3.33 C ATOM 411 CD GLU A 30 3.899 8.332 -9.620 1.00 11.50 C ATOM 412 OE1 GLU A 30 5.096 8.213 -9.956 1.00 61.23 O ATOM 413 OE2 GLU A 30 3.000 8.702 -10.404 1.00 54.14 O ATOM 0 H GLU A 30 5.611 9.588 -4.871 1.00 72.52 H new ATOM 0 HA GLU A 30 2.901 8.803 -5.778 1.00 15.12 H new ATOM 0 HB2 GLU A 30 4.798 9.576 -7.484 1.00 31.55 H new ATOM 0 HB3 GLU A 30 5.416 7.961 -7.202 1.00 31.55 H new ATOM 0 HG2 GLU A 30 3.451 6.932 -8.066 1.00 3.33 H new ATOM 0 HG3 GLU A 30 2.530 8.420 -7.979 1.00 3.33 H new ATOM 418 N TRP A 31 3.145 6.491 -4.923 1.00 42.03 N ATOM 419 CA TRP A 31 3.236 5.181 -4.284 1.00 20.32 C ATOM 420 C TRP A 31 2.779 4.079 -5.235 1.00 14.42 C ATOM 421 O TRP A 31 1.862 4.273 -6.032 1.00 73.40 O ATOM 422 CB TRP A 31 2.392 5.155 -3.009 1.00 44.32 C ATOM 423 CG TRP A 31 2.513 6.404 -2.191 1.00 30.03 C ATOM 424 CD1 TRP A 31 3.619 7.194 -2.057 1.00 61.30 C ATOM 425 CD2 TRP A 31 1.490 7.005 -1.390 1.00 32.13 C ATOM 426 NE1 TRP A 31 3.345 8.250 -1.223 1.00 62.33 N ATOM 427 CE2 TRP A 31 2.046 8.158 -0.800 1.00 32.31 C ATOM 428 CE3 TRP A 31 0.157 6.685 -1.115 1.00 55.24 C ATOM 429 CZ2 TRP A 31 1.315 8.987 0.047 1.00 1.12 C ATOM 430 CZ3 TRP A 31 -0.566 7.509 -0.273 1.00 41.03 C ATOM 431 CH2 TRP A 31 0.014 8.648 0.298 1.00 31.15 C ATOM 0 H TRP A 31 2.209 6.741 -5.242 1.00 42.03 H new ATOM 0 HA TRP A 31 4.279 5.001 -4.025 1.00 20.32 H new ATOM 0 HB2 TRP A 31 1.346 5.005 -3.277 1.00 44.32 H new ATOM 0 HB3 TRP A 31 2.691 4.301 -2.401 1.00 44.32 H new ATOM 0 HD1 TRP A 31 4.570 7.014 -2.537 1.00 61.30 H new ATOM 0 HE1 TRP A 31 4.003 8.984 -0.961 1.00 62.33 H new ATOM 0 HE3 TRP A 31 -0.300 5.810 -1.553 1.00 55.24 H new ATOM 0 HZ2 TRP A 31 1.759 9.866 0.490 1.00 1.12 H new ATOM 0 HZ3 TRP A 31 -1.596 7.270 -0.052 1.00 41.03 H new ATOM 0 HH2 TRP A 31 -0.578 9.272 0.951 1.00 31.15 H new ATOM 441 N LYS A 32 3.424 2.921 -5.144 1.00 74.11 N ATOM 442 CA LYS A 32 3.084 1.787 -5.994 1.00 55.42 C ATOM 443 C LYS A 32 3.048 0.493 -5.186 1.00 31.45 C ATOM 444 O LYS A 32 3.908 0.257 -4.336 1.00 61.14 O ATOM 445 CB LYS A 32 4.094 1.659 -7.136 1.00 20.41 C ATOM 446 CG LYS A 32 4.104 2.854 -8.075 1.00 61.15 C ATOM 447 CD LYS A 32 5.072 3.926 -7.603 1.00 2.32 C ATOM 448 CE LYS A 32 5.638 4.719 -8.769 1.00 22.32 C ATOM 449 NZ LYS A 32 6.716 5.650 -8.336 1.00 72.04 N ATOM 0 H LYS A 32 4.186 2.743 -4.489 1.00 74.11 H new ATOM 0 HA LYS A 32 2.092 1.962 -6.412 1.00 55.42 H new ATOM 0 HB2 LYS A 32 5.091 1.529 -6.715 1.00 20.41 H new ATOM 0 HB3 LYS A 32 3.870 0.759 -7.709 1.00 20.41 H new ATOM 0 HG2 LYS A 32 4.381 2.528 -9.077 1.00 61.15 H new ATOM 0 HG3 LYS A 32 3.100 3.273 -8.143 1.00 61.15 H new ATOM 0 HD2 LYS A 32 4.562 4.601 -6.916 1.00 2.32 H new ATOM 0 HD3 LYS A 32 5.887 3.462 -7.047 1.00 2.32 H new ATOM 0 HE2 LYS A 32 6.031 4.032 -9.518 1.00 22.32 H new ATOM 0 HE3 LYS A 32 4.838 5.286 -9.245 1.00 22.32 H new ATOM 0 HZ1 LYS A 32 6.829 6.403 -9.044 1.00 72.04 H new ATOM 0 HZ2 LYS A 32 6.463 6.071 -7.419 1.00 72.04 H new ATOM 0 HZ3 LYS A 32 7.610 5.126 -8.242 1.00 72.04 H new ATOM 459 N LEU A 33 2.051 -0.341 -5.457 1.00 11.32 N ATOM 460 CA LEU A 33 1.904 -1.612 -4.756 1.00 60.54 C ATOM 461 C LEU A 33 1.601 -2.742 -5.736 1.00 13.01 C ATOM 462 O LEU A 33 0.857 -2.559 -6.698 1.00 22.30 O ATOM 463 CB LEU A 33 0.791 -1.515 -3.712 1.00 63.01 C ATOM 464 CG LEU A 33 -0.222 -0.388 -3.912 1.00 72.02 C ATOM 465 CD1 LEU A 33 0.448 0.967 -3.744 1.00 21.15 C ATOM 466 CD2 LEU A 33 -0.876 -0.496 -5.281 1.00 73.13 C ATOM 0 H LEU A 33 1.332 -0.160 -6.157 1.00 11.32 H new ATOM 0 HA LEU A 33 2.846 -1.834 -4.254 1.00 60.54 H new ATOM 0 HB2 LEU A 33 0.252 -2.462 -3.696 1.00 63.01 H new ATOM 0 HB3 LEU A 33 1.250 -1.393 -2.731 1.00 63.01 H new ATOM 0 HG LEU A 33 -0.998 -0.483 -3.153 1.00 72.02 H new ATOM 0 HD11 LEU A 33 -0.288 1.757 -3.890 1.00 21.15 H new ATOM 0 HD12 LEU A 33 0.868 1.043 -2.741 1.00 21.15 H new ATOM 0 HD13 LEU A 33 1.245 1.073 -4.480 1.00 21.15 H new ATOM 0 HD21 LEU A 33 -1.594 0.314 -5.406 1.00 73.13 H new ATOM 0 HD22 LEU A 33 -0.112 -0.427 -6.056 1.00 73.13 H new ATOM 0 HD23 LEU A 33 -1.391 -1.453 -5.364 1.00 73.13 H new ATOM 477 N ASN A 34 2.183 -3.909 -5.482 1.00 25.11 N ATOM 478 CA ASN A 34 1.974 -5.070 -6.340 1.00 23.31 C ATOM 479 C ASN A 34 1.179 -6.149 -5.611 1.00 63.45 C ATOM 480 O ASN A 34 1.558 -6.589 -4.524 1.00 70.14 O ATOM 481 CB ASN A 34 3.318 -5.635 -6.805 1.00 20.25 C ATOM 482 CG ASN A 34 3.171 -6.973 -7.506 1.00 2.02 C ATOM 483 OD1 ASN A 34 2.855 -7.983 -6.878 1.00 32.45 O ATOM 484 ND2 ASN A 34 3.400 -6.983 -8.813 1.00 43.52 N ATOM 0 H ASN A 34 2.803 -4.076 -4.689 1.00 25.11 H new ATOM 0 HA ASN A 34 1.402 -4.749 -7.211 1.00 23.31 H new ATOM 0 HB2 ASN A 34 3.794 -4.924 -7.481 1.00 20.25 H new ATOM 0 HB3 ASN A 34 3.978 -5.749 -5.945 1.00 20.25 H new ATOM 0 HD21 ASN A 34 3.316 -7.853 -9.339 1.00 43.52 H new ATOM 0 HD22 ASN A 34 3.660 -6.121 -9.292 1.00 43.52 H new ATOM 490 N THR A 35 0.075 -6.575 -6.217 1.00 24.24 N ATOM 491 CA THR A 35 -0.774 -7.602 -5.626 1.00 22.12 C ATOM 492 C THR A 35 -1.253 -8.593 -6.681 1.00 63.33 C ATOM 493 O THR A 35 -0.908 -8.478 -7.857 1.00 51.24 O ATOM 494 CB THR A 35 -1.998 -6.985 -4.925 1.00 71.11 C ATOM 495 OG1 THR A 35 -2.908 -6.462 -5.899 1.00 23.41 O ATOM 496 CG2 THR A 35 -1.575 -5.877 -3.973 1.00 10.12 C ATOM 0 H THR A 35 -0.252 -6.224 -7.117 1.00 24.24 H new ATOM 0 HA THR A 35 -0.168 -8.126 -4.887 1.00 22.12 H new ATOM 0 HB THR A 35 -2.492 -7.768 -4.350 1.00 71.11 H new ATOM 0 HG1 THR A 35 -3.685 -6.073 -5.445 1.00 23.41 H new ATOM 0 HG21 THR A 35 -2.457 -5.456 -3.490 1.00 10.12 H new ATOM 0 HG22 THR A 35 -0.905 -6.284 -3.215 1.00 10.12 H new ATOM 0 HG23 THR A 35 -1.059 -5.095 -4.531 1.00 10.12 H new ATOM 504 N GLY A 36 -2.050 -9.567 -6.254 1.00 42.00 N ATOM 505 CA GLY A 36 -2.563 -10.564 -7.175 1.00 32.21 C ATOM 506 C GLY A 36 -1.529 -11.615 -7.527 1.00 10.20 C ATOM 507 O GLY A 36 -0.900 -12.198 -6.644 1.00 62.41 O ATOM 0 H GLY A 36 -2.350 -9.684 -5.286 1.00 42.00 H new ATOM 0 HA2 GLY A 36 -3.433 -11.049 -6.733 1.00 32.21 H new ATOM 0 HA3 GLY A 36 -2.901 -10.072 -8.087 1.00 32.21 H new ATOM 511 N ARG A 37 -1.353 -11.858 -8.822 1.00 40.41 N ATOM 512 CA ARG A 37 -0.389 -12.849 -9.289 1.00 20.24 C ATOM 513 C ARG A 37 0.766 -12.177 -10.027 1.00 0.24 C ATOM 514 O ARG A 37 1.917 -12.599 -9.912 1.00 61.31 O ATOM 515 CB ARG A 37 -1.074 -13.863 -10.207 1.00 24.31 C ATOM 516 CG ARG A 37 -2.237 -14.591 -9.553 1.00 22.42 C ATOM 517 CD ARG A 37 -1.769 -15.467 -8.401 1.00 14.11 C ATOM 518 NE ARG A 37 -0.642 -16.316 -8.783 1.00 34.14 N ATOM 519 CZ ARG A 37 0.165 -16.905 -7.906 1.00 34.52 C ATOM 520 NH1 ARG A 37 -0.032 -16.739 -6.606 1.00 14.43 N ATOM 521 NH2 ARG A 37 1.168 -17.661 -8.331 1.00 24.10 N ATOM 0 H ARG A 37 -1.864 -11.383 -9.566 1.00 40.41 H new ATOM 0 HA ARG A 37 0.012 -13.369 -8.419 1.00 20.24 H new ATOM 0 HB2 ARG A 37 -1.434 -13.348 -11.098 1.00 24.31 H new ATOM 0 HB3 ARG A 37 -0.338 -14.596 -10.538 1.00 24.31 H new ATOM 0 HG2 ARG A 37 -2.963 -13.865 -9.188 1.00 22.42 H new ATOM 0 HG3 ARG A 37 -2.747 -15.206 -10.295 1.00 22.42 H new ATOM 0 HD2 ARG A 37 -1.480 -14.837 -7.560 1.00 14.11 H new ATOM 0 HD3 ARG A 37 -2.595 -16.092 -8.061 1.00 14.11 H new ATOM 0 HE ARG A 37 -0.465 -16.465 -9.777 1.00 34.14 H new ATOM 0 HH11 ARG A 37 -0.804 -16.159 -6.277 1.00 14.43 H new ATOM 0 HH12 ARG A 37 0.588 -17.192 -5.934 1.00 14.43 H new ATOM 0 HH21 ARG A 37 1.321 -17.791 -9.331 1.00 24.10 H new ATOM 0 HH22 ARG A 37 1.787 -18.113 -7.658 1.00 24.10 H new ATOM 532 N THR A 38 0.451 -11.130 -10.781 1.00 23.03 N ATOM 533 CA THR A 38 1.460 -10.402 -11.537 1.00 75.31 C ATOM 534 C THR A 38 0.829 -9.298 -12.377 1.00 73.51 C ATOM 535 O THR A 38 1.455 -8.270 -12.639 1.00 61.34 O ATOM 536 CB THR A 38 2.255 -11.342 -12.463 1.00 42.45 C ATOM 537 OG1 THR A 38 3.164 -10.583 -13.269 1.00 44.21 O ATOM 538 CG2 THR A 38 1.320 -12.140 -13.358 1.00 44.52 C ATOM 0 H THR A 38 -0.497 -10.767 -10.884 1.00 23.03 H new ATOM 0 HA THR A 38 2.139 -9.958 -10.809 1.00 75.31 H new ATOM 0 HB THR A 38 2.817 -12.038 -11.840 1.00 42.45 H new ATOM 0 HG1 THR A 38 3.666 -11.188 -13.854 1.00 44.21 H new ATOM 0 HG21 THR A 38 1.905 -12.796 -14.002 1.00 44.52 H new ATOM 0 HG22 THR A 38 0.650 -12.740 -12.742 1.00 44.52 H new ATOM 0 HG23 THR A 38 0.733 -11.457 -13.972 1.00 44.52 H new ATOM 546 N GLU A 39 -0.414 -9.515 -12.794 1.00 12.13 N ATOM 547 CA GLU A 39 -1.129 -8.536 -13.604 1.00 74.01 C ATOM 548 C GLU A 39 -2.135 -7.759 -12.759 1.00 42.22 C ATOM 549 O GLU A 39 -3.203 -7.379 -13.239 1.00 21.00 O ATOM 550 CB GLU A 39 -1.848 -9.228 -14.764 1.00 20.40 C ATOM 551 CG GLU A 39 -2.561 -10.509 -14.362 1.00 13.41 C ATOM 552 CD GLU A 39 -3.282 -11.165 -15.522 1.00 14.20 C ATOM 553 OE1 GLU A 39 -4.315 -10.621 -15.965 1.00 74.02 O ATOM 554 OE2 GLU A 39 -2.813 -12.224 -15.990 1.00 52.30 O ATOM 0 H GLU A 39 -0.947 -10.359 -12.585 1.00 12.13 H new ATOM 0 HA GLU A 39 -0.399 -7.833 -14.005 1.00 74.01 H new ATOM 0 HB2 GLU A 39 -2.574 -8.538 -15.194 1.00 20.40 H new ATOM 0 HB3 GLU A 39 -1.123 -9.456 -15.546 1.00 20.40 H new ATOM 0 HG2 GLU A 39 -1.836 -11.209 -13.948 1.00 13.41 H new ATOM 0 HG3 GLU A 39 -3.278 -10.288 -13.572 1.00 13.41 H new ATOM 559 N ALA A 40 -1.786 -7.531 -11.498 1.00 13.43 N ATOM 560 CA ALA A 40 -2.656 -6.800 -10.585 1.00 23.44 C ATOM 561 C ALA A 40 -1.957 -5.563 -10.031 1.00 64.31 C ATOM 562 O ALA A 40 -2.571 -4.749 -9.340 1.00 42.21 O ATOM 563 CB ALA A 40 -3.109 -7.705 -9.449 1.00 4.23 C ATOM 0 H ALA A 40 -0.907 -7.842 -11.085 1.00 13.43 H new ATOM 0 HA ALA A 40 -3.532 -6.470 -11.144 1.00 23.44 H new ATOM 0 HB1 ALA A 40 -3.758 -7.146 -8.775 1.00 4.23 H new ATOM 0 HB2 ALA A 40 -3.656 -8.555 -9.857 1.00 4.23 H new ATOM 0 HB3 ALA A 40 -2.238 -8.063 -8.900 1.00 4.23 H new ATOM 569 N TRP A 41 -0.673 -5.428 -10.339 1.00 53.20 N ATOM 570 CA TRP A 41 0.109 -4.290 -9.871 1.00 75.31 C ATOM 571 C TRP A 41 -0.485 -2.978 -10.373 1.00 51.40 C ATOM 572 O TRP A 41 -0.745 -2.818 -11.566 1.00 45.33 O ATOM 573 CB TRP A 41 1.562 -4.417 -10.336 1.00 63.31 C ATOM 574 CG TRP A 41 2.354 -3.157 -10.158 1.00 50.42 C ATOM 575 CD1 TRP A 41 2.892 -2.686 -8.994 1.00 41.40 C ATOM 576 CD2 TRP A 41 2.697 -2.210 -11.174 1.00 52.13 C ATOM 577 NE1 TRP A 41 3.549 -1.501 -9.227 1.00 1.54 N ATOM 578 CE2 TRP A 41 3.444 -1.188 -10.555 1.00 71.33 C ATOM 579 CE3 TRP A 41 2.448 -2.125 -12.547 1.00 22.31 C ATOM 580 CZ2 TRP A 41 3.941 -0.098 -11.264 1.00 75.32 C ATOM 581 CZ3 TRP A 41 2.941 -1.042 -13.247 1.00 32.31 C ATOM 582 CH2 TRP A 41 3.682 -0.040 -12.607 1.00 34.24 C ATOM 0 H TRP A 41 -0.151 -6.092 -10.911 1.00 53.20 H new ATOM 0 HA TRP A 41 0.082 -4.286 -8.781 1.00 75.31 H new ATOM 0 HB2 TRP A 41 2.044 -5.222 -9.782 1.00 63.31 H new ATOM 0 HB3 TRP A 41 1.576 -4.701 -11.388 1.00 63.31 H new ATOM 0 HD1 TRP A 41 2.813 -3.172 -8.033 1.00 41.40 H new ATOM 0 HE1 TRP A 41 4.036 -0.945 -8.524 1.00 1.54 H new ATOM 0 HE3 TRP A 41 1.880 -2.893 -13.051 1.00 22.31 H new ATOM 0 HZ2 TRP A 41 4.511 0.676 -10.771 1.00 75.32 H new ATOM 0 HZ3 TRP A 41 2.752 -0.966 -14.308 1.00 32.31 H new ATOM 0 HH2 TRP A 41 4.056 0.793 -13.184 1.00 34.24 H new ATOM 592 N LYS A 42 -0.697 -2.040 -9.455 1.00 44.14 N ATOM 593 CA LYS A 42 -1.260 -0.741 -9.804 1.00 44.03 C ATOM 594 C LYS A 42 -0.528 0.381 -9.076 1.00 33.34 C ATOM 595 O LYS A 42 0.150 0.147 -8.076 1.00 14.21 O ATOM 596 CB LYS A 42 -2.751 -0.699 -9.462 1.00 52.42 C ATOM 597 CG LYS A 42 -3.040 -0.892 -7.983 1.00 12.30 C ATOM 598 CD LYS A 42 -3.286 -2.353 -7.650 1.00 5.31 C ATOM 599 CE LYS A 42 -3.494 -2.556 -6.156 1.00 54.15 C ATOM 600 NZ LYS A 42 -4.487 -1.598 -5.598 1.00 22.31 N ATOM 0 H LYS A 42 -0.487 -2.156 -8.464 1.00 44.14 H new ATOM 0 HA LYS A 42 -1.137 -0.595 -10.877 1.00 44.03 H new ATOM 0 HB2 LYS A 42 -3.162 0.258 -9.782 1.00 52.42 H new ATOM 0 HB3 LYS A 42 -3.268 -1.474 -10.029 1.00 52.42 H new ATOM 0 HG2 LYS A 42 -2.200 -0.520 -7.396 1.00 12.30 H new ATOM 0 HG3 LYS A 42 -3.912 -0.302 -7.702 1.00 12.30 H new ATOM 0 HD2 LYS A 42 -4.162 -2.709 -8.192 1.00 5.31 H new ATOM 0 HD3 LYS A 42 -2.439 -2.952 -7.985 1.00 5.31 H new ATOM 0 HE2 LYS A 42 -3.831 -3.576 -5.972 1.00 54.15 H new ATOM 0 HE3 LYS A 42 -2.543 -2.436 -5.638 1.00 54.15 H new ATOM 0 HZ1 LYS A 42 -4.790 -1.921 -4.657 1.00 22.31 H new ATOM 0 HZ2 LYS A 42 -4.053 -0.656 -5.517 1.00 22.31 H new ATOM 0 HZ3 LYS A 42 -5.312 -1.546 -6.229 1.00 22.31 H new ATOM 610 N VAL A 43 -0.670 1.602 -9.584 1.00 42.53 N ATOM 611 CA VAL A 43 -0.025 2.762 -8.980 1.00 11.10 C ATOM 612 C VAL A 43 -1.001 3.543 -8.109 1.00 24.34 C ATOM 613 O VAL A 43 -2.052 3.985 -8.578 1.00 2.13 O ATOM 614 CB VAL A 43 0.557 3.702 -10.052 1.00 72.43 C ATOM 615 CG1 VAL A 43 1.300 4.858 -9.401 1.00 51.15 C ATOM 616 CG2 VAL A 43 1.468 2.933 -10.997 1.00 10.44 C ATOM 0 H VAL A 43 -1.226 1.813 -10.413 1.00 42.53 H new ATOM 0 HA VAL A 43 0.788 2.384 -8.359 1.00 11.10 H new ATOM 0 HB VAL A 43 -0.266 4.115 -10.636 1.00 72.43 H new ATOM 0 HG11 VAL A 43 1.704 5.512 -10.174 1.00 51.15 H new ATOM 0 HG12 VAL A 43 0.613 5.423 -8.771 1.00 51.15 H new ATOM 0 HG13 VAL A 43 2.116 4.469 -8.791 1.00 51.15 H new ATOM 0 HG21 VAL A 43 1.870 3.613 -11.748 1.00 10.44 H new ATOM 0 HG22 VAL A 43 2.288 2.490 -10.432 1.00 10.44 H new ATOM 0 HG23 VAL A 43 0.899 2.144 -11.489 1.00 10.44 H new ATOM 626 N LEU A 44 -0.650 3.711 -6.840 1.00 11.44 N ATOM 627 CA LEU A 44 -1.496 4.441 -5.901 1.00 35.32 C ATOM 628 C LEU A 44 -1.173 5.932 -5.923 1.00 24.14 C ATOM 629 O LEU A 44 -0.016 6.324 -6.064 1.00 50.51 O ATOM 630 CB LEU A 44 -1.317 3.889 -4.486 1.00 13.13 C ATOM 631 CG LEU A 44 -2.447 3.002 -3.964 1.00 43.20 C ATOM 632 CD1 LEU A 44 -3.609 3.851 -3.474 1.00 42.10 C ATOM 633 CD2 LEU A 44 -2.908 2.034 -5.044 1.00 74.31 C ATOM 0 H LEU A 44 0.215 3.352 -6.436 1.00 11.44 H new ATOM 0 HA LEU A 44 -2.534 4.308 -6.207 1.00 35.32 H new ATOM 0 HB2 LEU A 44 -0.390 3.317 -4.455 1.00 13.13 H new ATOM 0 HB3 LEU A 44 -1.196 4.729 -3.802 1.00 13.13 H new ATOM 0 HG LEU A 44 -2.068 2.422 -3.123 1.00 43.20 H new ATOM 0 HD11 LEU A 44 -4.404 3.202 -3.106 1.00 42.10 H new ATOM 0 HD12 LEU A 44 -3.270 4.502 -2.668 1.00 42.10 H new ATOM 0 HD13 LEU A 44 -3.988 4.459 -4.296 1.00 42.10 H new ATOM 0 HD21 LEU A 44 -3.713 1.411 -4.654 1.00 74.31 H new ATOM 0 HD22 LEU A 44 -3.269 2.595 -5.906 1.00 74.31 H new ATOM 0 HD23 LEU A 44 -2.073 1.402 -5.346 1.00 74.31 H new ATOM 644 N SER A 45 -2.205 6.758 -5.780 1.00 52.11 N ATOM 645 CA SER A 45 -2.031 8.206 -5.785 1.00 23.02 C ATOM 646 C SER A 45 -2.686 8.835 -4.559 1.00 10.45 C ATOM 647 O SER A 45 -3.506 8.220 -3.877 1.00 33.14 O ATOM 648 CB SER A 45 -2.625 8.808 -7.060 1.00 0.53 C ATOM 649 OG SER A 45 -3.248 7.812 -7.852 1.00 5.42 O ATOM 0 H SER A 45 -3.170 6.449 -5.659 1.00 52.11 H new ATOM 0 HA SER A 45 -0.963 8.419 -5.755 1.00 23.02 H new ATOM 0 HB2 SER A 45 -3.352 9.577 -6.798 1.00 0.53 H new ATOM 0 HB3 SER A 45 -1.839 9.296 -7.636 1.00 0.53 H new ATOM 0 HG SER A 45 -3.621 8.222 -8.660 1.00 5.42 H new ATOM 772 N ALA A 56 -9.052 0.939 -2.719 1.00 63.22 N ATOM 773 CA ALA A 56 -8.660 1.568 -1.464 1.00 21.22 C ATOM 774 C ALA A 56 -8.588 3.084 -1.608 1.00 51.43 C ATOM 775 O ALA A 56 -8.708 3.618 -2.711 1.00 20.21 O ATOM 776 CB ALA A 56 -7.324 1.015 -0.992 1.00 75.41 C ATOM 0 HA ALA A 56 -9.420 1.337 -0.717 1.00 21.22 H new ATOM 0 HB1 ALA A 56 -7.043 1.493 -0.054 1.00 75.41 H new ATOM 0 HB2 ALA A 56 -7.409 -0.061 -0.839 1.00 75.41 H new ATOM 0 HB3 ALA A 56 -6.561 1.216 -1.744 1.00 75.41 H new ATOM 782 N ARG A 57 -8.390 3.772 -0.489 1.00 42.24 N ATOM 783 CA ARG A 57 -8.302 5.226 -0.492 1.00 15.22 C ATOM 784 C ARG A 57 -7.013 5.694 0.176 1.00 74.21 C ATOM 785 O ARG A 57 -6.396 4.957 0.946 1.00 72.52 O ATOM 786 CB ARG A 57 -9.510 5.833 0.227 1.00 53.43 C ATOM 787 CG ARG A 57 -10.845 5.379 -0.339 1.00 42.45 C ATOM 788 CD ARG A 57 -10.945 5.665 -1.828 1.00 63.22 C ATOM 789 NE ARG A 57 -12.235 6.250 -2.188 1.00 51.50 N ATOM 790 CZ ARG A 57 -12.609 7.476 -1.835 1.00 22.40 C ATOM 791 NH1 ARG A 57 -11.797 8.241 -1.120 1.00 41.41 N ATOM 792 NH2 ARG A 57 -13.799 7.937 -2.199 1.00 73.14 N ATOM 0 H ARG A 57 -8.287 3.345 0.432 1.00 42.24 H new ATOM 0 HA ARG A 57 -8.297 5.562 -1.529 1.00 15.22 H new ATOM 0 HB2 ARG A 57 -9.464 5.569 1.284 1.00 53.43 H new ATOM 0 HB3 ARG A 57 -9.450 6.920 0.167 1.00 53.43 H new ATOM 0 HG2 ARG A 57 -10.971 4.311 -0.163 1.00 42.45 H new ATOM 0 HG3 ARG A 57 -11.655 5.886 0.185 1.00 42.45 H new ATOM 0 HD2 ARG A 57 -10.145 6.344 -2.121 1.00 63.22 H new ATOM 0 HD3 ARG A 57 -10.798 4.740 -2.385 1.00 63.22 H new ATOM 0 HE ARG A 57 -12.883 5.688 -2.740 1.00 51.50 H new ATOM 0 HH11 ARG A 57 -10.882 7.890 -0.839 1.00 41.41 H new ATOM 0 HH12 ARG A 57 -12.087 9.181 -0.851 1.00 41.41 H new ATOM 0 HH21 ARG A 57 -14.426 7.351 -2.749 1.00 73.14 H new ATOM 0 HH22 ARG A 57 -14.086 8.878 -1.928 1.00 73.14 H new ATOM 803 N VAL A 58 -6.609 6.926 -0.125 1.00 24.44 N ATOM 804 CA VAL A 58 -5.394 7.493 0.446 1.00 51.43 C ATOM 805 C VAL A 58 -5.719 8.584 1.460 1.00 24.41 C ATOM 806 O VAL A 58 -6.504 9.492 1.180 1.00 22.41 O ATOM 807 CB VAL A 58 -4.481 8.079 -0.647 1.00 30.22 C ATOM 808 CG1 VAL A 58 -3.504 9.079 -0.048 1.00 74.24 C ATOM 809 CG2 VAL A 58 -3.739 6.967 -1.373 1.00 33.41 C ATOM 0 H VAL A 58 -7.106 7.549 -0.761 1.00 24.44 H new ATOM 0 HA VAL A 58 -4.871 6.679 0.948 1.00 51.43 H new ATOM 0 HB VAL A 58 -5.103 8.604 -1.372 1.00 30.22 H new ATOM 0 HG11 VAL A 58 -2.867 9.482 -0.836 1.00 74.24 H new ATOM 0 HG12 VAL A 58 -4.058 9.891 0.423 1.00 74.24 H new ATOM 0 HG13 VAL A 58 -2.886 8.581 0.699 1.00 74.24 H new ATOM 0 HG21 VAL A 58 -3.098 7.399 -2.142 1.00 33.41 H new ATOM 0 HG22 VAL A 58 -3.128 6.412 -0.661 1.00 33.41 H new ATOM 0 HG23 VAL A 58 -4.458 6.292 -1.837 1.00 33.41 H new ATOM 819 N LEU A 59 -5.112 8.491 2.638 1.00 71.43 N ATOM 820 CA LEU A 59 -5.338 9.471 3.693 1.00 15.41 C ATOM 821 C LEU A 59 -4.730 10.820 3.323 1.00 15.21 C ATOM 822 O LEU A 59 -3.814 10.913 2.505 1.00 23.41 O ATOM 823 CB LEU A 59 -4.740 8.975 5.011 1.00 14.55 C ATOM 824 CG LEU A 59 -5.498 7.844 5.708 1.00 31.02 C ATOM 825 CD1 LEU A 59 -4.735 7.368 6.935 1.00 21.14 C ATOM 826 CD2 LEU A 59 -6.900 8.296 6.090 1.00 15.15 C ATOM 0 H LEU A 59 -4.460 7.747 2.886 1.00 71.43 H new ATOM 0 HA LEU A 59 -6.414 9.599 3.813 1.00 15.41 H new ATOM 0 HB2 LEU A 59 -3.721 8.639 4.821 1.00 14.55 H new ATOM 0 HB3 LEU A 59 -4.675 9.819 5.698 1.00 14.55 H new ATOM 0 HG LEU A 59 -5.586 7.009 5.013 1.00 31.02 H new ATOM 0 HD11 LEU A 59 -5.289 6.563 7.418 1.00 21.14 H new ATOM 0 HD12 LEU A 59 -3.753 7.003 6.634 1.00 21.14 H new ATOM 0 HD13 LEU A 59 -4.615 8.196 7.633 1.00 21.14 H new ATOM 0 HD21 LEU A 59 -7.424 7.478 6.585 1.00 15.15 H new ATOM 0 HD22 LEU A 59 -6.836 9.148 6.767 1.00 15.15 H new ATOM 0 HD23 LEU A 59 -7.446 8.586 5.192 1.00 15.15 H new ATOM 837 N PRO A 60 -5.249 11.893 3.939 1.00 20.35 N ATOM 838 CA PRO A 60 -4.772 13.257 3.692 1.00 53.03 C ATOM 839 C PRO A 60 -3.372 13.490 4.251 1.00 71.43 C ATOM 840 O PRO A 60 -2.662 14.394 3.812 1.00 52.23 O ATOM 841 CB PRO A 60 -5.793 14.129 4.425 1.00 74.32 C ATOM 842 CG PRO A 60 -6.345 13.248 5.493 1.00 12.15 C ATOM 843 CD PRO A 60 -6.342 11.857 4.925 1.00 63.10 C ATOM 0 HA PRO A 60 -4.693 13.475 2.627 1.00 53.03 H new ATOM 0 HB2 PRO A 60 -5.324 15.018 4.848 1.00 74.32 H new ATOM 0 HB3 PRO A 60 -6.577 14.473 3.750 1.00 74.32 H new ATOM 0 HG2 PRO A 60 -5.737 13.302 6.396 1.00 12.15 H new ATOM 0 HG3 PRO A 60 -7.354 13.555 5.769 1.00 12.15 H new ATOM 0 HD2 PRO A 60 -6.162 11.108 5.697 1.00 63.10 H new ATOM 0 HD3 PRO A 60 -7.296 11.611 4.458 1.00 63.10 H new ATOM 848 N ASN A 61 -2.982 12.671 5.222 1.00 24.31 N ATOM 849 CA ASN A 61 -1.668 12.790 5.841 1.00 63.04 C ATOM 850 C ASN A 61 -0.605 12.083 5.003 1.00 24.12 C ATOM 851 O ASN A 61 0.571 12.063 5.361 1.00 40.12 O ATOM 852 CB ASN A 61 -1.691 12.204 7.253 1.00 4.15 C ATOM 853 CG ASN A 61 -2.494 10.919 7.334 1.00 32.11 C ATOM 854 OD1 ASN A 61 -2.479 10.107 6.408 1.00 1.14 O ATOM 855 ND2 ASN A 61 -3.199 10.732 8.443 1.00 63.23 N ATOM 0 H ASN A 61 -3.558 11.917 5.597 1.00 24.31 H new ATOM 0 HA ASN A 61 -1.416 13.849 5.898 1.00 63.04 H new ATOM 0 HB2 ASN A 61 -0.669 12.012 7.580 1.00 4.15 H new ATOM 0 HB3 ASN A 61 -2.113 12.937 7.941 1.00 4.15 H new ATOM 0 HD21 ASN A 61 -3.759 9.887 8.555 1.00 63.23 H new ATOM 0 HD22 ASN A 61 -3.180 11.433 9.184 1.00 63.23 H new ATOM 861 N GLY A 62 -1.031 11.503 3.884 1.00 34.35 N ATOM 862 CA GLY A 62 -0.105 10.805 3.012 1.00 64.41 C ATOM 863 C GLY A 62 -0.015 9.325 3.330 1.00 50.52 C ATOM 864 O GLY A 62 1.018 8.696 3.100 1.00 70.53 O ATOM 0 H GLY A 62 -2.000 11.504 3.567 1.00 34.35 H new ATOM 0 HA2 GLY A 62 -0.419 10.933 1.976 1.00 64.41 H new ATOM 0 HA3 GLY A 62 0.884 11.254 3.103 1.00 64.41 H new ATOM 868 N SER A 63 -1.097 8.769 3.865 1.00 61.11 N ATOM 869 CA SER A 63 -1.134 7.355 4.220 1.00 42.24 C ATOM 870 C SER A 63 -2.097 6.592 3.317 1.00 44.34 C ATOM 871 O SER A 63 -2.714 7.168 2.420 1.00 41.00 O ATOM 872 CB SER A 63 -1.546 7.187 5.684 1.00 52.44 C ATOM 873 OG SER A 63 -0.450 7.422 6.552 1.00 12.33 O ATOM 0 H SER A 63 -1.960 9.276 4.062 1.00 61.11 H new ATOM 0 HA SER A 63 -0.134 6.944 4.082 1.00 42.24 H new ATOM 0 HB2 SER A 63 -2.355 7.879 5.919 1.00 52.44 H new ATOM 0 HB3 SER A 63 -1.931 6.180 5.844 1.00 52.44 H new ATOM 0 HG SER A 63 -0.739 7.310 7.482 1.00 12.33 H new ATOM 878 N LEU A 64 -2.224 5.292 3.562 1.00 41.41 N ATOM 879 CA LEU A 64 -3.113 4.447 2.772 1.00 54.50 C ATOM 880 C LEU A 64 -4.044 3.644 3.674 1.00 54.45 C ATOM 881 O LEU A 64 -3.595 2.957 4.592 1.00 62.10 O ATOM 882 CB LEU A 64 -2.297 3.502 1.888 1.00 2.12 C ATOM 883 CG LEU A 64 -3.058 2.312 1.301 1.00 52.15 C ATOM 884 CD1 LEU A 64 -4.234 2.789 0.465 1.00 3.01 C ATOM 885 CD2 LEU A 64 -2.126 1.444 0.467 1.00 10.41 C ATOM 0 H LEU A 64 -1.722 4.800 4.302 1.00 41.41 H new ATOM 0 HA LEU A 64 -3.721 5.092 2.138 1.00 54.50 H new ATOM 0 HB2 LEU A 64 -1.874 4.079 1.066 1.00 2.12 H new ATOM 0 HB3 LEU A 64 -1.460 3.120 2.473 1.00 2.12 H new ATOM 0 HG LEU A 64 -3.445 1.711 2.124 1.00 52.15 H new ATOM 0 HD11 LEU A 64 -4.763 1.928 0.056 1.00 3.01 H new ATOM 0 HD12 LEU A 64 -4.913 3.369 1.090 1.00 3.01 H new ATOM 0 HD13 LEU A 64 -3.871 3.413 -0.352 1.00 3.01 H new ATOM 0 HD21 LEU A 64 -2.683 0.602 0.057 1.00 10.41 H new ATOM 0 HD22 LEU A 64 -1.710 2.036 -0.348 1.00 10.41 H new ATOM 0 HD23 LEU A 64 -1.316 1.072 1.095 1.00 10.41 H new ATOM 896 N PHE A 65 -5.342 3.732 3.405 1.00 61.14 N ATOM 897 CA PHE A 65 -6.336 3.012 4.192 1.00 64.32 C ATOM 898 C PHE A 65 -7.244 2.179 3.289 1.00 24.13 C ATOM 899 O PHE A 65 -7.756 2.669 2.282 1.00 54.11 O ATOM 900 CB PHE A 65 -7.175 3.991 5.013 1.00 34.41 C ATOM 901 CG PHE A 65 -8.389 3.365 5.639 1.00 62.44 C ATOM 902 CD1 PHE A 65 -8.296 2.145 6.289 1.00 41.55 C ATOM 903 CD2 PHE A 65 -9.621 3.995 5.577 1.00 73.14 C ATOM 904 CE1 PHE A 65 -9.410 1.565 6.866 1.00 1.54 C ATOM 905 CE2 PHE A 65 -10.738 3.420 6.153 1.00 72.12 C ATOM 906 CZ PHE A 65 -10.633 2.203 6.798 1.00 52.03 C ATOM 0 H PHE A 65 -5.730 4.295 2.648 1.00 61.14 H new ATOM 0 HA PHE A 65 -5.809 2.340 4.870 1.00 64.32 H new ATOM 0 HB2 PHE A 65 -6.552 4.421 5.798 1.00 34.41 H new ATOM 0 HB3 PHE A 65 -7.491 4.813 4.371 1.00 34.41 H new ATOM 0 HD1 PHE A 65 -7.342 1.641 6.345 1.00 41.55 H new ATOM 0 HD2 PHE A 65 -9.710 4.946 5.073 1.00 73.14 H new ATOM 0 HE1 PHE A 65 -9.324 0.614 7.370 1.00 1.54 H new ATOM 0 HE2 PHE A 65 -11.693 3.922 6.099 1.00 72.12 H new ATOM 0 HZ PHE A 65 -11.505 1.752 7.248 1.00 52.03 H new ATOM 915 N LEU A 66 -7.438 0.918 3.659 1.00 73.41 N ATOM 916 CA LEU A 66 -8.284 0.016 2.884 1.00 61.21 C ATOM 917 C LEU A 66 -9.509 -0.407 3.688 1.00 3.55 C ATOM 918 O LEU A 66 -9.409 -0.830 4.840 1.00 3.14 O ATOM 919 CB LEU A 66 -7.489 -1.219 2.457 1.00 54.52 C ATOM 920 CG LEU A 66 -6.257 -0.957 1.589 1.00 33.12 C ATOM 921 CD1 LEU A 66 -4.988 -1.045 2.422 1.00 12.12 C ATOM 922 CD2 LEU A 66 -6.204 -1.939 0.428 1.00 15.30 C ATOM 0 H LEU A 66 -7.022 0.497 4.490 1.00 73.41 H new ATOM 0 HA LEU A 66 -8.622 0.549 1.995 1.00 61.21 H new ATOM 0 HB2 LEU A 66 -7.170 -1.750 3.354 1.00 54.52 H new ATOM 0 HB3 LEU A 66 -8.157 -1.886 1.913 1.00 54.52 H new ATOM 0 HG LEU A 66 -6.331 0.052 1.183 1.00 33.12 H new ATOM 0 HD11 LEU A 66 -4.122 -0.856 1.787 1.00 12.12 H new ATOM 0 HD12 LEU A 66 -5.023 -0.302 3.219 1.00 12.12 H new ATOM 0 HD13 LEU A 66 -4.907 -2.041 2.858 1.00 12.12 H new ATOM 0 HD21 LEU A 66 -5.321 -1.738 -0.179 1.00 15.30 H new ATOM 0 HD22 LEU A 66 -6.154 -2.957 0.814 1.00 15.30 H new ATOM 0 HD23 LEU A 66 -7.099 -1.827 -0.185 1.00 15.30 H new ATOM 933 N PRO A 67 -10.692 -0.295 3.068 1.00 25.33 N ATOM 934 CA PRO A 67 -11.959 -0.665 3.707 1.00 63.41 C ATOM 935 C PRO A 67 -12.093 -2.171 3.900 1.00 4.11 C ATOM 936 O PRO A 67 -12.699 -2.630 4.869 1.00 52.25 O ATOM 937 CB PRO A 67 -13.014 -0.156 2.721 1.00 74.12 C ATOM 938 CG PRO A 67 -12.322 -0.135 1.401 1.00 2.04 C ATOM 939 CD PRO A 67 -10.884 0.200 1.694 1.00 23.43 C ATOM 0 HA PRO A 67 -12.050 -0.242 4.707 1.00 63.41 H new ATOM 0 HB2 PRO A 67 -13.885 -0.811 2.701 1.00 74.12 H new ATOM 0 HB3 PRO A 67 -13.368 0.837 2.998 1.00 74.12 H new ATOM 0 HG2 PRO A 67 -12.404 -1.100 0.902 1.00 2.04 H new ATOM 0 HG3 PRO A 67 -12.768 0.606 0.738 1.00 2.04 H new ATOM 0 HD2 PRO A 67 -10.207 -0.288 0.993 1.00 23.43 H new ATOM 0 HD3 PRO A 67 -10.699 1.272 1.623 1.00 23.43 H new ATOM 944 N ALA A 68 -11.524 -2.936 2.974 1.00 74.12 N ATOM 945 CA ALA A 68 -11.578 -4.390 3.044 1.00 2.52 C ATOM 946 C ALA A 68 -10.611 -5.025 2.051 1.00 24.42 C ATOM 947 O ALA A 68 -10.897 -5.102 0.856 1.00 54.24 O ATOM 948 CB ALA A 68 -12.996 -4.879 2.792 1.00 61.24 C ATOM 0 H ALA A 68 -11.020 -2.572 2.166 1.00 74.12 H new ATOM 0 HA ALA A 68 -11.275 -4.692 4.047 1.00 2.52 H new ATOM 0 HB1 ALA A 68 -13.021 -5.967 2.847 1.00 61.24 H new ATOM 0 HB2 ALA A 68 -13.664 -4.462 3.546 1.00 61.24 H new ATOM 0 HB3 ALA A 68 -13.321 -4.559 1.802 1.00 61.24 H new ATOM 954 N VAL A 69 -9.467 -5.478 2.553 1.00 21.02 N ATOM 955 CA VAL A 69 -8.459 -6.107 1.709 1.00 53.11 C ATOM 956 C VAL A 69 -8.855 -7.533 1.346 1.00 21.21 C ATOM 957 O VAL A 69 -9.009 -8.388 2.218 1.00 35.43 O ATOM 958 CB VAL A 69 -7.083 -6.129 2.400 1.00 51.45 C ATOM 959 CG1 VAL A 69 -6.521 -4.720 2.518 1.00 43.53 C ATOM 960 CG2 VAL A 69 -7.185 -6.788 3.768 1.00 20.44 C ATOM 0 H VAL A 69 -9.215 -5.421 3.540 1.00 21.02 H new ATOM 0 HA VAL A 69 -8.392 -5.510 0.800 1.00 53.11 H new ATOM 0 HB VAL A 69 -6.398 -6.717 1.789 1.00 51.45 H new ATOM 0 HG11 VAL A 69 -5.548 -4.756 3.009 1.00 43.53 H new ATOM 0 HG12 VAL A 69 -6.410 -4.288 1.523 1.00 43.53 H new ATOM 0 HG13 VAL A 69 -7.202 -4.105 3.106 1.00 43.53 H new ATOM 0 HG21 VAL A 69 -6.204 -6.795 4.242 1.00 20.44 H new ATOM 0 HG22 VAL A 69 -7.885 -6.229 4.390 1.00 20.44 H new ATOM 0 HG23 VAL A 69 -7.540 -7.812 3.653 1.00 20.44 H new ATOM 970 N GLY A 70 -9.021 -7.785 0.051 1.00 25.43 N ATOM 971 CA GLY A 70 -9.401 -9.110 -0.405 1.00 40.42 C ATOM 972 C GLY A 70 -8.201 -10.005 -0.645 1.00 41.42 C ATOM 973 O GLY A 70 -7.067 -9.529 -0.716 1.00 35.44 O ATOM 0 H GLY A 70 -8.899 -7.095 -0.691 1.00 25.43 H new ATOM 0 HA2 GLY A 70 -10.054 -9.573 0.335 1.00 40.42 H new ATOM 0 HA3 GLY A 70 -9.976 -9.023 -1.327 1.00 40.42 H new ATOM 977 N ILE A 71 -8.449 -11.305 -0.770 1.00 33.50 N ATOM 978 CA ILE A 71 -7.380 -12.267 -1.003 1.00 51.11 C ATOM 979 C ILE A 71 -6.557 -11.888 -2.229 1.00 71.14 C ATOM 980 O ILE A 71 -5.359 -12.163 -2.294 1.00 42.43 O ATOM 981 CB ILE A 71 -7.935 -13.691 -1.192 1.00 20.24 C ATOM 982 CG1 ILE A 71 -6.923 -14.726 -0.698 1.00 71.50 C ATOM 983 CG2 ILE A 71 -8.281 -13.936 -2.653 1.00 35.25 C ATOM 984 CD1 ILE A 71 -6.750 -15.899 -1.639 1.00 22.13 C ATOM 0 H ILE A 71 -9.381 -11.715 -0.714 1.00 33.50 H new ATOM 0 HA ILE A 71 -6.742 -12.249 -0.120 1.00 51.11 H new ATOM 0 HB ILE A 71 -8.846 -13.791 -0.602 1.00 20.24 H new ATOM 0 HG12 ILE A 71 -5.958 -14.240 -0.555 1.00 71.50 H new ATOM 0 HG13 ILE A 71 -7.240 -15.096 0.277 1.00 71.50 H new ATOM 0 HG21 ILE A 71 -8.672 -14.947 -2.770 1.00 35.25 H new ATOM 0 HG22 ILE A 71 -9.034 -13.216 -2.974 1.00 35.25 H new ATOM 0 HG23 ILE A 71 -7.385 -13.821 -3.263 1.00 35.25 H new ATOM 0 HD11 ILE A 71 -6.018 -16.593 -1.225 1.00 22.13 H new ATOM 0 HD12 ILE A 71 -7.705 -16.410 -1.763 1.00 22.13 H new ATOM 0 HD13 ILE A 71 -6.402 -15.540 -2.608 1.00 22.13 H new ATOM 995 N GLN A 72 -7.207 -11.254 -3.200 1.00 21.12 N ATOM 996 CA GLN A 72 -6.536 -10.836 -4.424 1.00 13.20 C ATOM 997 C GLN A 72 -5.663 -9.610 -4.175 1.00 52.40 C ATOM 998 O GLN A 72 -4.720 -9.345 -4.921 1.00 44.22 O ATOM 999 CB GLN A 72 -7.562 -10.532 -5.516 1.00 30.24 C ATOM 1000 CG GLN A 72 -8.335 -11.755 -5.982 1.00 62.14 C ATOM 1001 CD GLN A 72 -9.676 -11.401 -6.594 1.00 32.12 C ATOM 1002 OE1 GLN A 72 -10.724 -11.844 -6.122 1.00 41.51 O ATOM 1003 NE2 GLN A 72 -9.651 -10.595 -7.650 1.00 41.41 N ATOM 0 H GLN A 72 -8.199 -11.019 -3.162 1.00 21.12 H new ATOM 0 HA GLN A 72 -5.896 -11.654 -4.755 1.00 13.20 H new ATOM 0 HB2 GLN A 72 -8.266 -9.787 -5.144 1.00 30.24 H new ATOM 0 HB3 GLN A 72 -7.050 -10.089 -6.370 1.00 30.24 H new ATOM 0 HG2 GLN A 72 -7.739 -12.300 -6.714 1.00 62.14 H new ATOM 0 HG3 GLN A 72 -8.492 -12.425 -5.136 1.00 62.14 H new ATOM 0 HE21 GLN A 72 -8.760 -10.251 -8.008 1.00 41.41 H new ATOM 0 HE22 GLN A 72 -10.523 -10.320 -8.102 1.00 41.41 H new ATOM 1010 N ASP A 73 -5.983 -8.866 -3.122 1.00 32.42 N ATOM 1011 CA ASP A 73 -5.228 -7.669 -2.775 1.00 14.13 C ATOM 1012 C ASP A 73 -3.890 -8.035 -2.141 1.00 52.23 C ATOM 1013 O ASP A 73 -3.065 -7.165 -1.865 1.00 55.40 O ATOM 1014 CB ASP A 73 -6.036 -6.790 -1.818 1.00 13.34 C ATOM 1015 CG ASP A 73 -6.610 -5.565 -2.502 1.00 4.12 C ATOM 1016 OD1 ASP A 73 -7.554 -5.723 -3.305 1.00 72.12 O ATOM 1017 OD2 ASP A 73 -6.120 -4.450 -2.233 1.00 3.42 O ATOM 0 H ASP A 73 -6.760 -9.071 -2.494 1.00 32.42 H new ATOM 0 HA ASP A 73 -5.035 -7.113 -3.692 1.00 14.13 H new ATOM 0 HB2 ASP A 73 -6.848 -7.377 -1.389 1.00 13.34 H new ATOM 0 HB3 ASP A 73 -5.398 -6.476 -0.992 1.00 13.34 H new ATOM 1021 N GLU A 74 -3.684 -9.328 -1.911 1.00 61.04 N ATOM 1022 CA GLU A 74 -2.446 -9.809 -1.308 1.00 65.42 C ATOM 1023 C GLU A 74 -1.239 -9.411 -2.153 1.00 13.13 C ATOM 1024 O GLU A 74 -1.298 -9.417 -3.381 1.00 53.51 O ATOM 1025 CB GLU A 74 -2.490 -11.330 -1.146 1.00 54.52 C ATOM 1026 CG GLU A 74 -2.530 -12.081 -2.465 1.00 45.31 C ATOM 1027 CD GLU A 74 -1.168 -12.604 -2.881 1.00 74.11 C ATOM 1028 OE1 GLU A 74 -0.544 -13.336 -2.084 1.00 5.14 O ATOM 1029 OE2 GLU A 74 -0.727 -12.281 -4.003 1.00 41.33 O ATOM 0 H GLU A 74 -4.358 -10.061 -2.133 1.00 61.04 H new ATOM 0 HA GLU A 74 -2.347 -9.349 -0.325 1.00 65.42 H new ATOM 0 HB2 GLU A 74 -1.616 -11.652 -0.580 1.00 54.52 H new ATOM 0 HB3 GLU A 74 -3.367 -11.599 -0.558 1.00 54.52 H new ATOM 0 HG2 GLU A 74 -3.226 -12.916 -2.382 1.00 45.31 H new ATOM 0 HG3 GLU A 74 -2.915 -11.421 -3.243 1.00 45.31 H new ATOM 1034 N GLY A 75 -0.144 -9.061 -1.483 1.00 45.42 N ATOM 1035 CA GLY A 75 1.061 -8.665 -2.185 1.00 61.44 C ATOM 1036 C GLY A 75 1.961 -7.785 -1.342 1.00 41.01 C ATOM 1037 O GLY A 75 1.953 -7.874 -0.114 1.00 53.31 O ATOM 0 H GLY A 75 -0.072 -9.045 -0.466 1.00 45.42 H new ATOM 0 HA2 GLY A 75 1.610 -9.556 -2.488 1.00 61.44 H new ATOM 0 HA3 GLY A 75 0.788 -8.133 -3.096 1.00 61.44 H new ATOM 1041 N ILE A 76 2.742 -6.935 -2.000 1.00 23.02 N ATOM 1042 CA ILE A 76 3.653 -6.037 -1.301 1.00 72.25 C ATOM 1043 C ILE A 76 3.405 -4.585 -1.698 1.00 0.52 C ATOM 1044 O ILE A 76 3.245 -4.271 -2.877 1.00 1.42 O ATOM 1045 CB ILE A 76 5.124 -6.392 -1.589 1.00 33.04 C ATOM 1046 CG1 ILE A 76 5.316 -7.910 -1.587 1.00 11.35 C ATOM 1047 CG2 ILE A 76 6.037 -5.735 -0.564 1.00 60.11 C ATOM 1048 CD1 ILE A 76 4.732 -8.590 -0.367 1.00 31.44 C ATOM 0 H ILE A 76 2.762 -6.849 -3.016 1.00 23.02 H new ATOM 0 HA ILE A 76 3.460 -6.158 -0.235 1.00 72.25 H new ATOM 0 HB ILE A 76 5.387 -6.014 -2.577 1.00 33.04 H new ATOM 0 HG12 ILE A 76 4.855 -8.328 -2.482 1.00 11.35 H new ATOM 0 HG13 ILE A 76 6.381 -8.134 -1.643 1.00 11.35 H new ATOM 0 HG21 ILE A 76 7.073 -5.995 -0.780 1.00 60.11 H new ATOM 0 HG22 ILE A 76 5.917 -4.653 -0.611 1.00 60.11 H new ATOM 0 HG23 ILE A 76 5.776 -6.086 0.434 1.00 60.11 H new ATOM 0 HD11 ILE A 76 4.904 -9.664 -0.432 1.00 31.44 H new ATOM 0 HD12 ILE A 76 5.210 -8.199 0.531 1.00 31.44 H new ATOM 0 HD13 ILE A 76 3.660 -8.397 -0.321 1.00 31.44 H new ATOM 1059 N PHE A 77 3.375 -3.704 -0.703 1.00 54.44 N ATOM 1060 CA PHE A 77 3.147 -2.284 -0.948 1.00 51.21 C ATOM 1061 C PHE A 77 4.453 -1.499 -0.848 1.00 2.02 C ATOM 1062 O PHE A 77 5.212 -1.655 0.109 1.00 53.04 O ATOM 1063 CB PHE A 77 2.129 -1.730 0.049 1.00 32.25 C ATOM 1064 CG PHE A 77 2.090 -0.229 0.097 1.00 51.15 C ATOM 1065 CD1 PHE A 77 2.931 0.472 0.945 1.00 0.50 C ATOM 1066 CD2 PHE A 77 1.214 0.480 -0.708 1.00 62.32 C ATOM 1067 CE1 PHE A 77 2.897 1.853 0.992 1.00 24.23 C ATOM 1068 CE2 PHE A 77 1.175 1.861 -0.667 1.00 12.13 C ATOM 1069 CZ PHE A 77 2.019 2.548 0.184 1.00 52.21 C ATOM 0 H PHE A 77 3.505 -3.948 0.279 1.00 54.44 H new ATOM 0 HA PHE A 77 2.753 -2.173 -1.958 1.00 51.21 H new ATOM 0 HB2 PHE A 77 1.138 -2.103 -0.211 1.00 32.25 H new ATOM 0 HB3 PHE A 77 2.362 -2.111 1.043 1.00 32.25 H new ATOM 0 HD1 PHE A 77 3.622 -0.067 1.577 1.00 0.50 H new ATOM 0 HD2 PHE A 77 0.553 -0.053 -1.376 1.00 62.32 H new ATOM 0 HE1 PHE A 77 3.556 2.388 1.660 1.00 24.23 H new ATOM 0 HE2 PHE A 77 0.486 2.402 -1.299 1.00 12.13 H new ATOM 0 HZ PHE A 77 1.992 3.627 0.217 1.00 52.21 H new ATOM 1078 N ARG A 78 4.706 -0.655 -1.842 1.00 71.14 N ATOM 1079 CA ARG A 78 5.919 0.153 -1.868 1.00 35.45 C ATOM 1080 C ARG A 78 5.581 1.636 -2.003 1.00 54.22 C ATOM 1081 O ARG A 78 4.695 2.015 -2.769 1.00 13.22 O ATOM 1082 CB ARG A 78 6.822 -0.280 -3.023 1.00 44.52 C ATOM 1083 CG ARG A 78 8.176 -0.805 -2.574 1.00 2.43 C ATOM 1084 CD ARG A 78 9.290 0.176 -2.902 1.00 50.45 C ATOM 1085 NE ARG A 78 9.351 0.477 -4.329 1.00 54.12 N ATOM 1086 CZ ARG A 78 8.916 1.614 -4.859 1.00 74.30 C ATOM 1087 NH1 ARG A 78 8.391 2.554 -4.084 1.00 15.33 N ATOM 1088 NH2 ARG A 78 9.006 1.815 -6.167 1.00 34.31 N ATOM 0 H ARG A 78 4.087 -0.513 -2.640 1.00 71.14 H new ATOM 0 HA ARG A 78 6.446 0.001 -0.926 1.00 35.45 H new ATOM 0 HB2 ARG A 78 6.315 -1.054 -3.599 1.00 44.52 H new ATOM 0 HB3 ARG A 78 6.974 0.567 -3.692 1.00 44.52 H new ATOM 0 HG2 ARG A 78 8.158 -0.991 -1.500 1.00 2.43 H new ATOM 0 HG3 ARG A 78 8.376 -1.760 -3.059 1.00 2.43 H new ATOM 0 HD2 ARG A 78 9.136 1.099 -2.343 1.00 50.45 H new ATOM 0 HD3 ARG A 78 10.245 -0.238 -2.578 1.00 50.45 H new ATOM 0 HE ARG A 78 9.750 -0.224 -4.953 1.00 54.12 H new ATOM 0 HH11 ARG A 78 8.321 2.405 -3.077 1.00 15.33 H new ATOM 0 HH12 ARG A 78 8.058 3.426 -4.495 1.00 15.33 H new ATOM 0 HH21 ARG A 78 9.410 1.096 -6.767 1.00 34.31 H new ATOM 0 HH22 ARG A 78 8.671 2.689 -6.573 1.00 34.31 H new ATOM 1099 N CYS A 79 6.294 2.470 -1.253 1.00 3.33 N ATOM 1100 CA CYS A 79 6.070 3.910 -1.285 1.00 53.04 C ATOM 1101 C CYS A 79 7.342 4.649 -1.693 1.00 31.32 C ATOM 1102 O CYS A 79 8.451 4.189 -1.424 1.00 74.02 O ATOM 1103 CB CYS A 79 5.596 4.406 0.083 1.00 31.31 C ATOM 1104 SG CYS A 79 6.647 5.705 0.808 1.00 55.14 S ATOM 0 H CYS A 79 7.032 2.173 -0.615 1.00 3.33 H new ATOM 0 HA CYS A 79 5.297 4.115 -2.025 1.00 53.04 H new ATOM 0 HB2 CYS A 79 4.579 4.788 -0.013 1.00 31.31 H new ATOM 0 HB3 CYS A 79 5.556 3.561 0.770 1.00 31.31 H new ATOM 1108 N GLN A 80 7.171 5.795 -2.344 1.00 34.31 N ATOM 1109 CA GLN A 80 8.305 6.595 -2.790 1.00 31.25 C ATOM 1110 C GLN A 80 8.042 8.082 -2.567 1.00 43.20 C ATOM 1111 O GLN A 80 7.035 8.620 -3.026 1.00 11.24 O ATOM 1112 CB GLN A 80 8.592 6.333 -4.269 1.00 75.44 C ATOM 1113 CG GLN A 80 9.887 6.960 -4.759 1.00 35.44 C ATOM 1114 CD GLN A 80 9.735 8.435 -5.081 1.00 15.41 C ATOM 1115 OE1 GLN A 80 10.181 9.297 -4.324 1.00 4.34 O ATOM 1116 NE2 GLN A 80 9.105 8.733 -6.211 1.00 43.34 N ATOM 0 H GLN A 80 6.259 6.190 -2.574 1.00 34.31 H new ATOM 0 HA GLN A 80 9.176 6.305 -2.202 1.00 31.25 H new ATOM 0 HB2 GLN A 80 8.633 5.257 -4.437 1.00 75.44 H new ATOM 0 HB3 GLN A 80 7.764 6.717 -4.865 1.00 75.44 H new ATOM 0 HG2 GLN A 80 10.657 6.835 -3.998 1.00 35.44 H new ATOM 0 HG3 GLN A 80 10.229 6.431 -5.649 1.00 35.44 H new ATOM 0 HE21 GLN A 80 8.751 7.987 -6.810 1.00 43.34 H new ATOM 0 HE22 GLN A 80 8.975 9.708 -6.481 1.00 43.34 H new ATOM 1123 N ALA A 81 8.955 8.738 -1.858 1.00 30.32 N ATOM 1124 CA ALA A 81 8.823 10.163 -1.577 1.00 24.34 C ATOM 1125 C ALA A 81 10.124 10.902 -1.867 1.00 22.14 C ATOM 1126 O ALA A 81 11.183 10.289 -1.995 1.00 1.21 O ATOM 1127 CB ALA A 81 8.403 10.377 -0.129 1.00 33.51 C ATOM 0 H ALA A 81 9.793 8.306 -1.468 1.00 30.32 H new ATOM 0 HA ALA A 81 8.052 10.569 -2.232 1.00 24.34 H new ATOM 0 HB1 ALA A 81 8.308 11.445 0.068 1.00 33.51 H new ATOM 0 HB2 ALA A 81 7.445 9.889 0.048 1.00 33.51 H new ATOM 0 HB3 ALA A 81 9.155 9.951 0.535 1.00 33.51 H new ATOM 1133 N MET A 82 10.037 12.226 -1.969 1.00 45.24 N ATOM 1134 CA MET A 82 11.209 13.049 -2.244 1.00 53.11 C ATOM 1135 C MET A 82 11.312 14.198 -1.246 1.00 33.30 C ATOM 1136 O MET A 82 10.370 14.971 -1.077 1.00 33.14 O ATOM 1137 CB MET A 82 11.148 13.600 -3.671 1.00 4.33 C ATOM 1138 CG MET A 82 12.212 14.646 -3.963 1.00 23.43 C ATOM 1139 SD MET A 82 12.701 14.671 -5.698 1.00 13.42 S ATOM 1140 CE MET A 82 13.605 13.130 -5.818 1.00 50.44 C ATOM 0 H MET A 82 9.168 12.750 -1.865 1.00 45.24 H new ATOM 0 HA MET A 82 12.095 12.422 -2.142 1.00 53.11 H new ATOM 0 HB2 MET A 82 11.257 12.775 -4.375 1.00 4.33 H new ATOM 0 HB3 MET A 82 10.164 14.037 -3.842 1.00 4.33 H new ATOM 0 HG2 MET A 82 11.836 15.630 -3.681 1.00 23.43 H new ATOM 0 HG3 MET A 82 13.088 14.450 -3.345 1.00 23.43 H new ATOM 0 HE1 MET A 82 14.297 13.179 -6.659 1.00 50.44 H new ATOM 0 HE2 MET A 82 14.164 12.963 -4.897 1.00 50.44 H new ATOM 0 HE3 MET A 82 12.905 12.309 -5.971 1.00 50.44 H new ATOM 1148 N ASN A 83 12.461 14.303 -0.587 1.00 42.21 N ATOM 1149 CA ASN A 83 12.687 15.358 0.394 1.00 2.22 C ATOM 1150 C ASN A 83 13.187 16.631 -0.281 1.00 31.23 C ATOM 1151 O ASN A 83 13.480 16.638 -1.476 1.00 21.30 O ATOM 1152 CB ASN A 83 13.693 14.895 1.449 1.00 60.23 C ATOM 1153 CG ASN A 83 13.041 14.103 2.565 1.00 64.24 C ATOM 1154 OD1 ASN A 83 12.991 14.550 3.710 1.00 45.33 O ATOM 1155 ND2 ASN A 83 12.537 12.920 2.233 1.00 32.02 N ATOM 0 H ASN A 83 13.251 13.670 -0.715 1.00 42.21 H new ATOM 0 HA ASN A 83 11.737 15.577 0.881 1.00 2.22 H new ATOM 0 HB2 ASN A 83 14.458 14.282 0.972 1.00 60.23 H new ATOM 0 HB3 ASN A 83 14.198 15.764 1.871 1.00 60.23 H new ATOM 0 HD21 ASN A 83 12.085 12.341 2.941 1.00 32.02 H new ATOM 0 HD22 ASN A 83 12.602 12.590 1.270 1.00 32.02 H new ATOM 1161 N ARG A 84 13.282 17.706 0.495 1.00 14.44 N ATOM 1162 CA ARG A 84 13.748 18.986 -0.028 1.00 21.04 C ATOM 1163 C ARG A 84 15.238 18.933 -0.349 1.00 40.43 C ATOM 1164 O ARG A 84 15.753 19.768 -1.089 1.00 53.21 O ATOM 1165 CB ARG A 84 13.470 20.103 0.980 1.00 54.53 C ATOM 1166 CG ARG A 84 14.136 19.883 2.329 1.00 35.33 C ATOM 1167 CD ARG A 84 13.404 20.627 3.437 1.00 50.03 C ATOM 1168 NE ARG A 84 13.925 20.289 4.758 1.00 14.11 N ATOM 1169 CZ ARG A 84 13.420 20.766 5.891 1.00 42.44 C ATOM 1170 NH1 ARG A 84 12.386 21.594 5.864 1.00 44.13 N ATOM 1171 NH2 ARG A 84 13.950 20.411 7.055 1.00 4.44 N ATOM 0 H ARG A 84 13.043 17.717 1.487 1.00 14.44 H new ATOM 0 HA ARG A 84 13.204 19.194 -0.950 1.00 21.04 H new ATOM 0 HB2 ARG A 84 13.814 21.050 0.564 1.00 54.53 H new ATOM 0 HB3 ARG A 84 12.393 20.191 1.125 1.00 54.53 H new ATOM 0 HG2 ARG A 84 14.157 18.817 2.557 1.00 35.33 H new ATOM 0 HG3 ARG A 84 15.172 20.220 2.285 1.00 35.33 H new ATOM 0 HD2 ARG A 84 13.496 21.701 3.275 1.00 50.03 H new ATOM 0 HD3 ARG A 84 12.341 20.388 3.394 1.00 50.03 H new ATOM 0 HE ARG A 84 14.720 19.652 4.815 1.00 14.11 H new ATOM 0 HH11 ARG A 84 11.975 21.867 4.972 1.00 44.13 H new ATOM 0 HH12 ARG A 84 12.001 21.958 6.736 1.00 44.13 H new ATOM 0 HH21 ARG A 84 14.745 19.772 7.080 1.00 4.44 H new ATOM 0 HH22 ARG A 84 13.563 20.777 7.925 1.00 4.44 H new ATOM 1182 N ASN A 85 15.925 17.944 0.215 1.00 32.12 N ATOM 1183 CA ASN A 85 17.356 17.783 -0.009 1.00 31.11 C ATOM 1184 C ASN A 85 17.632 17.279 -1.423 1.00 40.52 C ATOM 1185 O ASN A 85 18.743 17.407 -1.933 1.00 50.43 O ATOM 1186 CB ASN A 85 17.948 16.813 1.015 1.00 41.14 C ATOM 1187 CG ASN A 85 18.107 17.443 2.384 1.00 23.35 C ATOM 1188 OD1 ASN A 85 17.290 17.221 3.280 1.00 55.43 O ATOM 1189 ND2 ASN A 85 19.159 18.234 2.554 1.00 14.34 N ATOM 0 H ASN A 85 15.513 17.243 0.830 1.00 32.12 H new ATOM 0 HA ASN A 85 17.829 18.758 0.109 1.00 31.11 H new ATOM 0 HB2 ASN A 85 17.306 15.936 1.094 1.00 41.14 H new ATOM 0 HB3 ASN A 85 18.919 16.466 0.663 1.00 41.14 H new ATOM 0 HD21 ASN A 85 19.317 18.686 3.454 1.00 14.34 H new ATOM 0 HD22 ASN A 85 19.810 18.389 1.784 1.00 14.34 H new ATOM 1195 N GLY A 86 16.610 16.705 -2.050 1.00 64.22 N ATOM 1196 CA GLY A 86 16.761 16.190 -3.399 1.00 15.15 C ATOM 1197 C GLY A 86 16.764 14.676 -3.444 1.00 50.34 C ATOM 1198 O GLY A 86 16.541 14.078 -4.497 1.00 73.03 O ATOM 0 H GLY A 86 15.680 16.587 -1.648 1.00 64.22 H new ATOM 0 HA2 GLY A 86 15.950 16.567 -4.022 1.00 15.15 H new ATOM 0 HA3 GLY A 86 17.691 16.565 -3.826 1.00 15.15 H new ATOM 1202 N LYS A 87 17.020 14.051 -2.300 1.00 25.44 N ATOM 1203 CA LYS A 87 17.051 12.595 -2.212 1.00 11.32 C ATOM 1204 C LYS A 87 15.650 12.033 -1.993 1.00 35.04 C ATOM 1205 O LYS A 87 14.811 12.666 -1.353 1.00 44.43 O ATOM 1206 CB LYS A 87 17.974 12.153 -1.073 1.00 74.24 C ATOM 1207 CG LYS A 87 19.414 11.936 -1.508 1.00 64.52 C ATOM 1208 CD LYS A 87 20.026 13.208 -2.068 1.00 14.12 C ATOM 1209 CE LYS A 87 20.060 13.189 -3.588 1.00 63.04 C ATOM 1210 NZ LYS A 87 21.101 14.105 -4.132 1.00 13.15 N ATOM 0 H LYS A 87 17.209 14.530 -1.420 1.00 25.44 H new ATOM 0 HA LYS A 87 17.435 12.206 -3.155 1.00 11.32 H new ATOM 0 HB2 LYS A 87 17.951 12.905 -0.285 1.00 74.24 H new ATOM 0 HB3 LYS A 87 17.590 11.228 -0.643 1.00 74.24 H new ATOM 0 HG2 LYS A 87 20.003 11.591 -0.658 1.00 64.52 H new ATOM 0 HG3 LYS A 87 19.452 11.150 -2.262 1.00 64.52 H new ATOM 0 HD2 LYS A 87 19.452 14.070 -1.727 1.00 14.12 H new ATOM 0 HD3 LYS A 87 21.038 13.326 -1.682 1.00 14.12 H new ATOM 0 HE2 LYS A 87 20.253 12.174 -3.934 1.00 63.04 H new ATOM 0 HE3 LYS A 87 19.083 13.478 -3.977 1.00 63.04 H new ATOM 0 HZ1 LYS A 87 21.092 14.063 -5.171 1.00 13.15 H new ATOM 0 HZ2 LYS A 87 20.903 15.078 -3.823 1.00 13.15 H new ATOM 0 HZ3 LYS A 87 22.036 13.814 -3.782 1.00 13.15 H new ATOM 1220 N GLU A 88 15.406 10.841 -2.527 1.00 50.13 N ATOM 1221 CA GLU A 88 14.107 10.194 -2.389 1.00 12.52 C ATOM 1222 C GLU A 88 14.163 9.078 -1.350 1.00 1.02 C ATOM 1223 O GLU A 88 15.173 8.387 -1.215 1.00 53.23 O ATOM 1224 CB GLU A 88 13.647 9.630 -3.735 1.00 24.53 C ATOM 1225 CG GLU A 88 14.219 8.258 -4.047 1.00 51.34 C ATOM 1226 CD GLU A 88 13.824 7.761 -5.424 1.00 41.21 C ATOM 1227 OE1 GLU A 88 13.039 8.456 -6.103 1.00 1.30 O ATOM 1228 OE2 GLU A 88 14.299 6.676 -5.822 1.00 72.43 O ATOM 0 H GLU A 88 16.091 10.304 -3.059 1.00 50.13 H new ATOM 0 HA GLU A 88 13.390 10.944 -2.054 1.00 12.52 H new ATOM 0 HB2 GLU A 88 12.559 9.571 -3.742 1.00 24.53 H new ATOM 0 HB3 GLU A 88 13.933 10.322 -4.527 1.00 24.53 H new ATOM 0 HG2 GLU A 88 15.306 8.297 -3.977 1.00 51.34 H new ATOM 0 HG3 GLU A 88 13.877 7.546 -3.296 1.00 51.34 H new ATOM 1233 N THR A 89 13.069 8.907 -0.613 1.00 5.21 N ATOM 1234 CA THR A 89 12.993 7.877 0.415 1.00 42.12 C ATOM 1235 C THR A 89 12.200 6.670 -0.073 1.00 73.21 C ATOM 1236 O THR A 89 11.106 6.813 -0.620 1.00 1.12 O ATOM 1237 CB THR A 89 12.344 8.417 1.704 1.00 63.41 C ATOM 1238 OG1 THR A 89 12.999 9.622 2.114 1.00 51.12 O ATOM 1239 CG2 THR A 89 12.420 7.386 2.820 1.00 32.53 C ATOM 0 H THR A 89 12.223 9.469 -0.710 1.00 5.21 H new ATOM 0 HA THR A 89 14.016 7.571 0.633 1.00 42.12 H new ATOM 0 HB THR A 89 11.295 8.628 1.497 1.00 63.41 H new ATOM 0 HG1 THR A 89 12.580 9.960 2.933 1.00 51.12 H new ATOM 0 HG21 THR A 89 11.956 7.789 3.720 1.00 32.53 H new ATOM 0 HG22 THR A 89 11.895 6.481 2.515 1.00 32.53 H new ATOM 0 HG23 THR A 89 13.464 7.148 3.025 1.00 32.53 H new ATOM 1247 N LYS A 90 12.756 5.481 0.128 1.00 45.40 N ATOM 1248 CA LYS A 90 12.100 4.248 -0.289 1.00 42.53 C ATOM 1249 C LYS A 90 11.395 3.582 0.887 1.00 21.04 C ATOM 1250 O LYS A 90 11.867 3.641 2.023 1.00 14.32 O ATOM 1251 CB LYS A 90 13.121 3.283 -0.896 1.00 44.53 C ATOM 1252 CG LYS A 90 14.076 2.686 0.124 1.00 54.31 C ATOM 1253 CD LYS A 90 14.094 1.169 0.051 1.00 72.00 C ATOM 1254 CE LYS A 90 12.738 0.579 0.409 1.00 65.05 C ATOM 1255 NZ LYS A 90 12.504 0.578 1.879 1.00 4.35 N ATOM 0 H LYS A 90 13.661 5.345 0.578 1.00 45.40 H new ATOM 0 HA LYS A 90 11.354 4.501 -1.042 1.00 42.53 H new ATOM 0 HB2 LYS A 90 12.590 2.476 -1.400 1.00 44.53 H new ATOM 0 HB3 LYS A 90 13.698 3.809 -1.657 1.00 44.53 H new ATOM 0 HG2 LYS A 90 15.081 3.071 -0.048 1.00 54.31 H new ATOM 0 HG3 LYS A 90 13.782 2.999 1.126 1.00 54.31 H new ATOM 0 HD2 LYS A 90 14.375 0.855 -0.954 1.00 72.00 H new ATOM 0 HD3 LYS A 90 14.852 0.780 0.730 1.00 72.00 H new ATOM 0 HE2 LYS A 90 11.952 1.151 -0.083 1.00 65.05 H new ATOM 0 HE3 LYS A 90 12.675 -0.441 0.031 1.00 65.05 H new ATOM 0 HZ1 LYS A 90 11.600 0.107 2.086 1.00 4.35 H new ATOM 0 HZ2 LYS A 90 13.277 0.068 2.353 1.00 4.35 H new ATOM 0 HZ3 LYS A 90 12.471 1.558 2.226 1.00 4.35 H new ATOM 1265 N SER A 91 10.260 2.947 0.610 1.00 23.34 N ATOM 1266 CA SER A 91 9.487 2.272 1.646 1.00 1.21 C ATOM 1267 C SER A 91 8.853 0.994 1.104 1.00 22.11 C ATOM 1268 O SER A 91 8.178 1.011 0.075 1.00 3.35 O ATOM 1269 CB SER A 91 8.403 3.202 2.191 1.00 14.13 C ATOM 1270 OG SER A 91 8.050 2.854 3.518 1.00 42.54 O ATOM 0 H SER A 91 9.855 2.886 -0.324 1.00 23.34 H new ATOM 0 HA SER A 91 10.166 2.005 2.456 1.00 1.21 H new ATOM 0 HB2 SER A 91 8.757 4.233 2.164 1.00 14.13 H new ATOM 0 HB3 SER A 91 7.521 3.151 1.552 1.00 14.13 H new ATOM 0 HG SER A 91 7.075 2.782 3.589 1.00 42.54 H new ATOM 1275 N ASN A 92 9.074 -0.113 1.807 1.00 61.54 N ATOM 1276 CA ASN A 92 8.523 -1.400 1.397 1.00 33.00 C ATOM 1277 C ASN A 92 7.776 -2.063 2.550 1.00 22.41 C ATOM 1278 O ASN A 92 8.303 -2.188 3.656 1.00 33.30 O ATOM 1279 CB ASN A 92 9.641 -2.320 0.903 1.00 54.35 C ATOM 1280 CG ASN A 92 9.132 -3.700 0.530 1.00 21.14 C ATOM 1281 OD1 ASN A 92 9.177 -4.629 1.337 1.00 32.23 O ATOM 1282 ND2 ASN A 92 8.643 -3.838 -0.696 1.00 20.42 N ATOM 0 H ASN A 92 9.630 -0.145 2.662 1.00 61.54 H new ATOM 0 HA ASN A 92 7.818 -1.225 0.584 1.00 33.00 H new ATOM 0 HB2 ASN A 92 10.124 -1.868 0.037 1.00 54.35 H new ATOM 0 HB3 ASN A 92 10.401 -2.413 1.679 1.00 54.35 H new ATOM 0 HD21 ASN A 92 8.284 -4.742 -1.003 1.00 20.42 H new ATOM 0 HD22 ASN A 92 8.626 -3.040 -1.331 1.00 20.42 H new ATOM 1288 N TYR A 93 6.545 -2.487 2.283 1.00 1.23 N ATOM 1289 CA TYR A 93 5.724 -3.137 3.298 1.00 54.14 C ATOM 1290 C TYR A 93 5.102 -4.419 2.756 1.00 42.24 C ATOM 1291 O TYR A 93 4.441 -4.412 1.717 1.00 3.43 O ATOM 1292 CB TYR A 93 4.625 -2.186 3.778 1.00 62.11 C ATOM 1293 CG TYR A 93 5.100 -1.178 4.800 1.00 25.40 C ATOM 1294 CD1 TYR A 93 6.026 -0.199 4.461 1.00 24.41 C ATOM 1295 CD2 TYR A 93 4.621 -1.204 6.103 1.00 2.02 C ATOM 1296 CE1 TYR A 93 6.462 0.723 5.391 1.00 42.12 C ATOM 1297 CE2 TYR A 93 5.050 -0.285 7.041 1.00 51.33 C ATOM 1298 CZ TYR A 93 5.972 0.677 6.680 1.00 21.41 C ATOM 1299 OH TYR A 93 6.403 1.596 7.609 1.00 41.14 O ATOM 0 H TYR A 93 6.094 -2.392 1.373 1.00 1.23 H new ATOM 0 HA TYR A 93 6.366 -3.395 4.140 1.00 54.14 H new ATOM 0 HB2 TYR A 93 4.216 -1.654 2.919 1.00 62.11 H new ATOM 0 HB3 TYR A 93 3.812 -2.771 4.208 1.00 62.11 H new ATOM 0 HD1 TYR A 93 6.411 -0.159 3.453 1.00 24.41 H new ATOM 0 HD2 TYR A 93 3.900 -1.956 6.388 1.00 2.02 H new ATOM 0 HE1 TYR A 93 7.183 1.477 5.111 1.00 42.12 H new ATOM 0 HE2 TYR A 93 4.667 -0.319 8.050 1.00 51.33 H new ATOM 0 HH TYR A 93 5.961 1.426 8.467 1.00 41.14 H new ATOM 1308 N ARG A 94 5.319 -5.520 3.469 1.00 72.41 N ATOM 1309 CA ARG A 94 4.781 -6.813 3.060 1.00 74.20 C ATOM 1310 C ARG A 94 3.345 -6.983 3.548 1.00 64.04 C ATOM 1311 O ARG A 94 3.044 -6.743 4.717 1.00 61.20 O ATOM 1312 CB ARG A 94 5.653 -7.946 3.602 1.00 2.21 C ATOM 1313 CG ARG A 94 7.143 -7.645 3.556 1.00 33.32 C ATOM 1314 CD ARG A 94 7.670 -7.659 2.130 1.00 2.22 C ATOM 1315 NE ARG A 94 8.733 -8.643 1.950 1.00 74.35 N ATOM 1316 CZ ARG A 94 8.510 -9.924 1.678 1.00 61.13 C ATOM 1317 NH1 ARG A 94 7.268 -10.372 1.556 1.00 63.23 N ATOM 1318 NH2 ARG A 94 9.530 -10.759 1.527 1.00 32.32 N ATOM 0 H ARG A 94 5.863 -5.543 4.332 1.00 72.41 H new ATOM 0 HA ARG A 94 4.783 -6.852 1.971 1.00 74.20 H new ATOM 0 HB2 ARG A 94 5.365 -8.154 4.632 1.00 2.21 H new ATOM 0 HB3 ARG A 94 5.456 -8.851 3.027 1.00 2.21 H new ATOM 0 HG2 ARG A 94 7.332 -6.670 4.006 1.00 33.32 H new ATOM 0 HG3 ARG A 94 7.683 -8.381 4.152 1.00 33.32 H new ATOM 0 HD2 ARG A 94 6.852 -7.879 1.443 1.00 2.22 H new ATOM 0 HD3 ARG A 94 8.045 -6.669 1.872 1.00 2.22 H new ATOM 0 HE ARG A 94 9.700 -8.330 2.038 1.00 74.35 H new ATOM 0 HH11 ARG A 94 6.482 -9.733 1.671 1.00 63.23 H new ATOM 0 HH12 ARG A 94 7.099 -11.356 1.347 1.00 63.23 H new ATOM 0 HH21 ARG A 94 10.487 -10.418 1.620 1.00 32.32 H new ATOM 0 HH22 ARG A 94 9.357 -11.742 1.318 1.00 32.32 H new ATOM 1329 N VAL A 95 2.464 -7.398 2.643 1.00 12.13 N ATOM 1330 CA VAL A 95 1.060 -7.601 2.982 1.00 60.31 C ATOM 1331 C VAL A 95 0.636 -9.042 2.725 1.00 4.11 C ATOM 1332 O VAL A 95 0.877 -9.588 1.649 1.00 43.33 O ATOM 1333 CB VAL A 95 0.146 -6.657 2.177 1.00 44.14 C ATOM 1334 CG1 VAL A 95 -1.316 -7.019 2.389 1.00 34.11 C ATOM 1335 CG2 VAL A 95 0.407 -5.208 2.560 1.00 72.51 C ATOM 0 H VAL A 95 2.697 -7.600 1.671 1.00 12.13 H new ATOM 0 HA VAL A 95 0.955 -7.378 4.044 1.00 60.31 H new ATOM 0 HB VAL A 95 0.374 -6.775 1.118 1.00 44.14 H new ATOM 0 HG11 VAL A 95 -1.946 -6.341 1.813 1.00 34.11 H new ATOM 0 HG12 VAL A 95 -1.489 -8.044 2.059 1.00 34.11 H new ATOM 0 HG13 VAL A 95 -1.563 -6.932 3.447 1.00 34.11 H new ATOM 0 HG21 VAL A 95 -0.247 -4.555 1.982 1.00 72.51 H new ATOM 0 HG22 VAL A 95 0.209 -5.071 3.623 1.00 72.51 H new ATOM 0 HG23 VAL A 95 1.447 -4.958 2.350 1.00 72.51 H new ATOM 1345 N ARG A 96 0.001 -9.652 3.721 1.00 21.41 N ATOM 1346 CA ARG A 96 -0.458 -11.032 3.603 1.00 31.25 C ATOM 1347 C ARG A 96 -1.907 -11.164 4.063 1.00 54.12 C ATOM 1348 O ARG A 96 -2.265 -10.724 5.156 1.00 61.31 O ATOM 1349 CB ARG A 96 0.438 -11.960 4.426 1.00 2.32 C ATOM 1350 CG ARG A 96 0.905 -13.189 3.664 1.00 73.15 C ATOM 1351 CD ARG A 96 -0.250 -14.130 3.361 1.00 63.35 C ATOM 1352 NE ARG A 96 0.009 -15.486 3.836 1.00 53.34 N ATOM 1353 CZ ARG A 96 -0.166 -15.869 5.096 1.00 54.12 C ATOM 1354 NH1 ARG A 96 -0.600 -15.004 6.002 1.00 31.03 N ATOM 1355 NH2 ARG A 96 0.092 -17.122 5.452 1.00 72.02 N ATOM 0 H ARG A 96 -0.207 -9.213 4.618 1.00 21.41 H new ATOM 0 HA ARG A 96 -0.402 -11.320 2.553 1.00 31.25 H new ATOM 0 HB2 ARG A 96 1.310 -11.401 4.767 1.00 2.32 H new ATOM 0 HB3 ARG A 96 -0.104 -12.279 5.316 1.00 2.32 H new ATOM 0 HG2 ARG A 96 1.379 -12.882 2.732 1.00 73.15 H new ATOM 0 HG3 ARG A 96 1.660 -13.715 4.248 1.00 73.15 H new ATOM 0 HD2 ARG A 96 -1.159 -13.750 3.828 1.00 63.35 H new ATOM 0 HD3 ARG A 96 -0.428 -14.151 2.286 1.00 63.35 H new ATOM 0 HE ARG A 96 0.342 -16.177 3.164 1.00 53.34 H new ATOM 0 HH11 ARG A 96 -0.801 -14.041 5.733 1.00 31.03 H new ATOM 0 HH12 ARG A 96 -0.733 -15.302 6.968 1.00 31.03 H new ATOM 0 HH21 ARG A 96 0.425 -17.791 4.758 1.00 72.02 H new ATOM 0 HH22 ARG A 96 -0.043 -17.415 6.420 1.00 72.02 H new ATOM 1366 N VAL A 97 -2.736 -11.773 3.221 1.00 41.14 N ATOM 1367 CA VAL A 97 -4.146 -11.964 3.541 1.00 71.31 C ATOM 1368 C VAL A 97 -4.385 -13.332 4.170 1.00 12.25 C ATOM 1369 O VAL A 97 -3.448 -14.098 4.393 1.00 12.23 O ATOM 1370 CB VAL A 97 -5.029 -11.826 2.288 1.00 72.21 C ATOM 1371 CG1 VAL A 97 -4.808 -10.476 1.624 1.00 54.44 C ATOM 1372 CG2 VAL A 97 -4.751 -12.961 1.313 1.00 34.51 C ATOM 0 H VAL A 97 -2.456 -12.142 2.312 1.00 41.14 H new ATOM 0 HA VAL A 97 -4.418 -11.186 4.255 1.00 71.31 H new ATOM 0 HB VAL A 97 -6.074 -11.887 2.593 1.00 72.21 H new ATOM 0 HG11 VAL A 97 -5.441 -10.397 0.740 1.00 54.44 H new ATOM 0 HG12 VAL A 97 -5.062 -9.680 2.324 1.00 54.44 H new ATOM 0 HG13 VAL A 97 -3.762 -10.381 1.331 1.00 54.44 H new ATOM 0 HG21 VAL A 97 -5.384 -12.848 0.433 1.00 34.51 H new ATOM 0 HG22 VAL A 97 -3.704 -12.934 1.013 1.00 34.51 H new ATOM 0 HG23 VAL A 97 -4.966 -13.915 1.794 1.00 34.51 H new ATOM 1382 N TYR A 98 -5.648 -13.632 4.456 1.00 0.10 N ATOM 1383 CA TYR A 98 -6.011 -14.907 5.062 1.00 1.52 C ATOM 1384 C TYR A 98 -5.645 -16.070 4.145 1.00 3.04 C ATOM 1385 O TYR A 98 -4.620 -16.723 4.335 1.00 51.02 O ATOM 1386 CB TYR A 98 -7.509 -14.939 5.373 1.00 63.23 C ATOM 1387 CG TYR A 98 -8.009 -16.300 5.803 1.00 22.52 C ATOM 1388 CD1 TYR A 98 -7.307 -17.059 6.731 1.00 25.25 C ATOM 1389 CD2 TYR A 98 -9.185 -16.827 5.281 1.00 52.44 C ATOM 1390 CE1 TYR A 98 -7.760 -18.302 7.127 1.00 2.14 C ATOM 1391 CE2 TYR A 98 -9.646 -18.069 5.671 1.00 12.32 C ATOM 1392 CZ TYR A 98 -8.930 -18.803 6.594 1.00 4.02 C ATOM 1393 OH TYR A 98 -9.384 -20.041 6.986 1.00 31.11 O ATOM 0 H TYR A 98 -6.436 -13.010 4.278 1.00 0.10 H new ATOM 0 HA TYR A 98 -5.451 -15.012 5.991 1.00 1.52 H new ATOM 0 HB2 TYR A 98 -7.724 -14.217 6.161 1.00 63.23 H new ATOM 0 HB3 TYR A 98 -8.062 -14.621 4.489 1.00 63.23 H new ATOM 0 HD1 TYR A 98 -6.391 -16.670 7.150 1.00 25.25 H new ATOM 0 HD2 TYR A 98 -9.748 -16.255 4.558 1.00 52.44 H new ATOM 0 HE1 TYR A 98 -7.202 -18.879 7.850 1.00 2.14 H new ATOM 0 HE2 TYR A 98 -10.562 -18.463 5.256 1.00 12.32 H new ATOM 0 HH TYR A 98 -10.221 -20.246 6.518 1.00 31.11 H new ATOM 1402 N GLN A 99 -6.492 -16.322 3.153 1.00 51.34 N ATOM 1403 CA GLN A 99 -6.258 -17.406 2.207 1.00 52.25 C ATOM 1404 C GLN A 99 -5.073 -17.091 1.298 1.00 35.13 C ATOM 1405 O GLN A 99 -4.865 -15.940 0.911 1.00 63.33 O ATOM 1406 CB GLN A 99 -7.509 -17.654 1.363 1.00 33.43 C ATOM 1407 CG GLN A 99 -8.016 -19.086 1.433 1.00 22.32 C ATOM 1408 CD GLN A 99 -7.061 -20.075 0.794 1.00 61.00 C ATOM 1409 OE1 GLN A 99 -6.084 -20.538 1.565 1.00 53.03 O flip ATOM 1410 NE2 GLN A 99 -7.200 -20.419 -0.380 1.00 21.21 N flip ATOM 0 H GLN A 99 -7.346 -15.791 2.983 1.00 51.34 H new ATOM 0 HA GLN A 99 -6.027 -18.306 2.776 1.00 52.25 H new ATOM 0 HB2 GLN A 99 -8.300 -16.981 1.694 1.00 33.43 H new ATOM 0 HB3 GLN A 99 -7.292 -17.405 0.324 1.00 33.43 H new ATOM 0 HG2 GLN A 99 -8.174 -19.361 2.476 1.00 22.32 H new ATOM 0 HG3 GLN A 99 -8.984 -19.149 0.937 1.00 22.32 H new ATOM 0 HE21 GLN A 99 -7.965 -20.038 -0.936 1.00 21.21 H new ATOM 0 HE22 GLN A 99 -6.550 -21.085 -0.797 1.00 21.21 H new ATOM 1417 N ILE A 100 -4.299 -18.118 0.966 1.00 70.40 N ATOM 1418 CA ILE A 100 -3.136 -17.949 0.103 1.00 20.04 C ATOM 1419 C ILE A 100 -3.247 -18.818 -1.145 1.00 12.14 C ATOM 1420 O ILE A 100 -3.993 -19.797 -1.186 1.00 22.21 O ATOM 1421 CB ILE A 100 -1.831 -18.299 0.844 1.00 34.11 C ATOM 1422 CG1 ILE A 100 -2.131 -19.162 2.071 1.00 13.11 C ATOM 1423 CG2 ILE A 100 -1.097 -17.029 1.249 1.00 53.23 C ATOM 1424 CD1 ILE A 100 -0.889 -19.636 2.794 1.00 31.45 C ATOM 0 H ILE A 100 -4.456 -19.075 1.281 1.00 70.40 H new ATOM 0 HA ILE A 100 -3.109 -16.899 -0.189 1.00 20.04 H new ATOM 0 HB ILE A 100 -1.189 -18.869 0.172 1.00 34.11 H new ATOM 0 HG12 ILE A 100 -2.750 -18.592 2.764 1.00 13.11 H new ATOM 0 HG13 ILE A 100 -2.715 -20.029 1.762 1.00 13.11 H new ATOM 0 HG21 ILE A 100 -0.177 -17.291 1.772 1.00 53.23 H new ATOM 0 HG22 ILE A 100 -0.856 -16.449 0.359 1.00 53.23 H new ATOM 0 HG23 ILE A 100 -1.732 -16.436 1.907 1.00 53.23 H new ATOM 0 HD11 ILE A 100 -1.177 -20.242 3.653 1.00 31.45 H new ATOM 0 HD12 ILE A 100 -0.279 -20.234 2.116 1.00 31.45 H new ATOM 0 HD13 ILE A 100 -0.315 -18.774 3.134 1.00 31.45 H new ATOM 1435 N PRO A 101 -2.485 -18.454 -2.187 1.00 62.42 N ATOM 1436 CA PRO A 101 -2.478 -19.188 -3.457 1.00 22.14 C ATOM 1437 C PRO A 101 -1.822 -20.559 -3.330 1.00 31.05 C ATOM 1438 O PRO A 101 -1.083 -20.818 -2.381 1.00 10.41 O ATOM 1439 CB PRO A 101 -1.660 -18.287 -4.383 1.00 54.12 C ATOM 1440 CG PRO A 101 -0.781 -17.502 -3.471 1.00 41.50 C ATOM 1441 CD PRO A 101 -1.574 -17.299 -2.208 1.00 72.15 C ATOM 0 HA PRO A 101 -3.487 -19.388 -3.818 1.00 22.14 H new ATOM 0 HB2 PRO A 101 -1.073 -18.874 -5.089 1.00 54.12 H new ATOM 0 HB3 PRO A 101 -2.305 -17.633 -4.970 1.00 54.12 H new ATOM 0 HG2 PRO A 101 0.147 -18.036 -3.268 1.00 41.50 H new ATOM 0 HG3 PRO A 101 -0.508 -16.546 -3.919 1.00 41.50 H new ATOM 0 HD2 PRO A 101 -0.930 -17.279 -1.329 1.00 72.15 H new ATOM 0 HD3 PRO A 101 -2.121 -16.356 -2.224 1.00 72.15 H new