USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 908 hydrogens (3 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: A 118 LYS HZ1 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD NoAdj-H: A 118 LYS HZ3 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD Set 1.1: A 5 TYR OH : rot 65:sc= -1.04! USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 7 ASN : amide:sc= -6.54! C(o=-6.9!,f=-7.2!) USER MOD Set 2.2: A 10 THR OG1 : rot 175:sc= -0.365 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 76:sc= 1.08 USER MOD Single : A 14 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 18 MET CE :methyl -141:sc= -0.291 (180deg=-1.61!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 33:sc= 1.04 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 40 MET CE :methyl 140:sc= -6.17! (180deg=-9.91!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 62 SER OG : rot -46:sc= 0.292 USER MOD Single : A 70 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.95!) USER MOD Single : A 73 SER OG : rot 12:sc= -2.18! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -168:sc= -0.444 (180deg=-0.752) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.6!) USER MOD Single : A 89 SER OG : rot -113:sc= -4.8! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 160:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -3:sc= 1.04 USER MOD Single : A 116 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.046) USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 119 HIS : no HD1:sc= -25.8! C(o=-26!,f=-26!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.287 K(o=-0.29,f=-4.7!) USER MOD Single : A 125 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.548 6.974 30.292 1.00 3.92 N ATOM 2 CA PRO A 1 2.503 6.966 29.232 1.00 3.44 C ATOM 3 C PRO A 1 1.481 8.078 29.486 1.00 3.50 C ATOM 4 O PRO A 1 0.296 7.834 29.591 1.00 4.94 O ATOM 5 CB PRO A 1 1.855 5.593 29.365 1.00 2.00 C ATOM 6 CG PRO A 1 2.101 5.191 30.781 1.00 4.99 C ATOM 7 CD PRO A 1 3.401 5.829 31.197 1.00 3.38 C ATOM 0 H2 PRO A 1 3.487 7.841 30.825 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.472 6.953 29.861 1.00 3.92 H new ATOM 0 HA PRO A 1 2.906 7.141 28.235 1.00 3.44 H new ATOM 0 HB2 PRO A 1 0.788 5.636 29.146 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.295 4.879 28.669 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.285 5.522 31.424 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.157 4.106 30.870 1.00 4.99 H new ATOM 0 HD2 PRO A 1 3.373 6.147 32.239 1.00 3.38 H new ATOM 0 HD3 PRO A 1 4.235 5.134 31.098 1.00 3.38 H new ATOM 17 N THR A 2 1.934 9.298 29.586 1.00 3.08 N ATOM 18 CA THR A 2 0.991 10.424 29.836 1.00 2.08 C ATOM 19 C THR A 2 0.819 11.264 28.567 1.00 2.52 C ATOM 20 O THR A 2 1.773 11.578 27.884 1.00 2.28 O ATOM 21 CB THR A 2 1.649 11.251 30.943 1.00 3.47 C ATOM 22 OG1 THR A 2 1.615 10.520 32.161 1.00 3.73 O ATOM 23 CG2 THR A 2 0.896 12.570 31.115 1.00 3.09 C ATOM 0 H THR A 2 2.916 9.563 29.505 1.00 3.08 H new ATOM 0 HA THR A 2 -0.002 10.076 30.121 1.00 2.08 H new ATOM 0 HB THR A 2 2.684 11.461 30.674 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.038 11.047 32.871 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.366 13.157 31.904 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.924 13.130 30.180 1.00 3.09 H new ATOM 0 HG23 THR A 2 -0.140 12.365 31.384 1.00 3.09 H new ATOM 31 N VAL A 3 -0.392 11.629 28.248 1.00 10.00 N ATOM 32 CA VAL A 3 -0.629 12.450 27.026 1.00 10.00 C ATOM 33 C VAL A 3 -1.467 13.680 27.381 1.00 10.00 C ATOM 34 O VAL A 3 -2.463 13.584 28.064 1.00 10.00 O ATOM 35 CB VAL A 3 -1.398 11.530 26.077 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.576 12.225 24.726 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.618 10.228 25.884 1.00 10.00 C ATOM 0 H VAL A 3 -1.229 11.394 28.781 1.00 10.00 H new ATOM 0 HA VAL A 3 0.297 12.812 26.579 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.377 11.306 26.501 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.124 11.570 24.049 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.133 13.152 24.864 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.598 12.450 24.301 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.166 9.572 25.208 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.361 10.450 25.460 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.493 9.733 26.847 1.00 10.00 H new ATOM 47 N GLU A 4 -1.069 14.837 26.930 1.00 10.00 N ATOM 48 CA GLU A 4 -1.846 16.070 27.256 1.00 10.00 C ATOM 49 C GLU A 4 -2.906 16.338 26.184 1.00 10.00 C ATOM 50 O GLU A 4 -2.603 16.438 25.011 1.00 10.00 O ATOM 51 CB GLU A 4 -0.810 17.193 27.274 1.00 50.00 C ATOM 52 CG GLU A 4 -0.739 17.798 28.679 1.00 50.00 C ATOM 53 CD GLU A 4 0.661 17.582 29.256 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.289 16.603 28.889 1.00 50.00 O ATOM 55 OE2 GLU A 4 1.082 18.402 30.056 1.00 50.00 O ATOM 0 H GLU A 4 -0.242 14.984 26.351 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.376 15.982 28.205 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.167 16.806 26.983 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.078 17.961 26.549 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -0.968 18.863 28.640 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.486 17.335 29.324 1.00 50.00 H new ATOM 62 N TYR A 5 -4.146 16.460 26.576 1.00 10.00 N ATOM 63 CA TYR A 5 -5.218 16.727 25.573 1.00 10.00 C ATOM 64 C TYR A 5 -5.646 18.198 25.633 1.00 10.00 C ATOM 65 O TYR A 5 -5.714 18.793 26.691 1.00 10.00 O ATOM 66 CB TYR A 5 -6.377 15.807 25.962 1.00 10.00 C ATOM 67 CG TYR A 5 -6.881 16.163 27.342 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.645 17.323 27.534 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.593 15.329 28.428 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.118 17.646 28.812 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.064 15.652 29.706 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.827 16.811 29.898 1.00 50.00 C ATOM 73 OH TYR A 5 -8.294 17.128 31.157 1.00 50.00 O ATOM 0 H TYR A 5 -4.462 16.387 27.543 1.00 10.00 H new ATOM 0 HA TYR A 5 -4.882 16.538 24.553 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.185 15.900 25.236 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.049 14.768 25.943 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -7.869 17.967 26.697 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.006 14.434 28.280 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -8.707 18.539 28.960 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.839 15.008 30.543 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.273 17.089 31.162 1.00 50.00 H new ATOM 83 N LEU A 6 -5.931 18.786 24.502 1.00 10.00 N ATOM 84 CA LEU A 6 -6.353 20.217 24.485 1.00 10.00 C ATOM 85 C LEU A 6 -7.520 20.410 23.512 1.00 10.00 C ATOM 86 O LEU A 6 -7.434 20.066 22.349 1.00 10.00 O ATOM 87 CB LEU A 6 -5.121 20.988 24.005 1.00 12.50 C ATOM 88 CG LEU A 6 -4.899 22.212 24.899 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.751 23.054 24.335 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.174 23.055 24.938 1.00 50.00 C ATOM 0 H LEU A 6 -5.890 18.336 23.587 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.693 20.560 25.462 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.243 20.343 24.031 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.256 21.301 22.970 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.650 21.883 25.908 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.592 23.925 24.971 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.841 22.455 24.306 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.002 23.382 23.326 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -6.015 23.926 25.574 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.424 23.384 23.929 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.993 22.458 25.338 1.00 50.00 H new ATOM 102 N ASN A 7 -8.610 20.956 23.977 1.00 10.00 N ATOM 103 CA ASN A 7 -9.784 21.169 23.080 1.00 10.00 C ATOM 104 C ASN A 7 -9.404 22.072 21.904 1.00 10.00 C ATOM 105 O ASN A 7 -9.032 23.215 22.083 1.00 10.00 O ATOM 106 CB ASN A 7 -10.831 21.852 23.960 1.00 10.00 C ATOM 107 CG ASN A 7 -12.157 21.944 23.202 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.406 21.178 22.293 1.00 12.50 O ATOM 109 ND2 ASN A 7 -13.024 22.859 23.539 1.00 12.50 N ATOM 0 H ASN A 7 -8.740 21.265 24.940 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.150 20.235 22.653 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.967 21.290 24.884 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.491 22.849 24.240 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -13.910 22.931 23.039 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.816 23.503 24.302 1.00 12.50 H new ATOM 116 N TYR A 8 -9.500 21.572 20.702 1.00 50.00 N ATOM 117 CA TYR A 8 -9.147 22.411 19.520 1.00 50.00 C ATOM 118 C TYR A 8 -10.013 23.676 19.500 1.00 50.00 C ATOM 119 O TYR A 8 -9.624 24.697 18.969 1.00 50.00 O ATOM 120 CB TYR A 8 -9.437 21.519 18.307 1.00 50.00 C ATOM 121 CG TYR A 8 -9.745 22.364 17.093 1.00 50.00 C ATOM 122 CD1 TYR A 8 -11.024 22.905 16.927 1.00 50.00 C ATOM 123 CD2 TYR A 8 -8.755 22.599 16.130 1.00 50.00 C ATOM 124 CE1 TYR A 8 -11.317 23.680 15.800 1.00 50.00 C ATOM 125 CE2 TYR A 8 -9.047 23.376 15.002 1.00 50.00 C ATOM 126 CZ TYR A 8 -10.328 23.916 14.836 1.00 50.00 C ATOM 127 OH TYR A 8 -10.617 24.680 13.723 1.00 50.00 O ATOM 0 H TYR A 8 -9.806 20.623 20.487 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.110 22.745 19.532 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.578 20.879 18.104 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.279 20.862 18.524 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -11.787 22.724 17.670 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -7.767 22.181 16.257 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -12.305 24.096 15.673 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -8.284 23.559 14.260 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.643 25.627 13.974 1.00 50.00 H new ATOM 137 N GLU A 9 -11.184 23.617 20.071 1.00 25.00 N ATOM 138 CA GLU A 9 -12.069 24.818 20.079 1.00 25.00 C ATOM 139 C GLU A 9 -11.466 25.909 20.967 1.00 25.00 C ATOM 140 O GLU A 9 -11.511 27.081 20.644 1.00 25.00 O ATOM 141 CB GLU A 9 -13.397 24.331 20.655 1.00 50.00 C ATOM 142 CG GLU A 9 -14.432 25.454 20.561 1.00 50.00 C ATOM 143 CD GLU A 9 -15.631 25.122 21.451 1.00 50.00 C ATOM 144 OE1 GLU A 9 -15.416 24.840 22.617 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.743 25.154 20.950 1.00 50.00 O ATOM 0 H GLU A 9 -11.567 22.791 20.532 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.192 25.247 19.085 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.744 23.454 20.108 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.266 24.027 21.694 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -13.987 26.399 20.871 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -14.756 25.578 19.528 1.00 50.00 H new ATOM 152 N THR A 10 -10.900 25.536 22.083 1.00 50.00 N ATOM 153 CA THR A 10 -10.294 26.555 22.986 1.00 50.00 C ATOM 154 C THR A 10 -9.188 27.315 22.253 1.00 50.00 C ATOM 155 O THR A 10 -8.963 28.486 22.490 1.00 50.00 O ATOM 156 CB THR A 10 -9.717 25.754 24.155 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.772 25.117 24.865 1.00 50.00 O ATOM 158 CG2 THR A 10 -8.963 26.694 25.098 1.00 50.00 C ATOM 0 H THR A 10 -10.831 24.571 22.408 1.00 50.00 H new ATOM 0 HA THR A 10 -11.019 27.297 23.322 1.00 50.00 H new ATOM 0 HB THR A 10 -9.032 24.999 23.770 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.396 24.540 25.562 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.553 26.122 25.930 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.151 27.179 24.556 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.647 27.451 25.481 1.00 50.00 H new ATOM 166 N LEU A 11 -8.499 26.662 21.357 1.00 50.00 N ATOM 167 CA LEU A 11 -7.414 27.354 20.605 1.00 50.00 C ATOM 168 C LEU A 11 -8.024 28.400 19.666 1.00 50.00 C ATOM 169 O LEU A 11 -7.543 29.510 19.558 1.00 50.00 O ATOM 170 CB LEU A 11 -6.717 26.250 19.806 1.00 50.00 C ATOM 171 CG LEU A 11 -5.928 26.869 18.648 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.932 27.892 19.197 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.173 25.770 17.900 1.00 50.00 C ATOM 0 H LEU A 11 -8.640 25.682 21.114 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.717 27.877 21.260 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.047 25.686 20.455 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.455 25.546 19.421 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.617 27.365 17.964 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.371 28.332 18.373 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.471 28.676 19.728 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.243 27.398 19.882 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.612 26.210 17.076 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.485 25.272 18.583 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -5.884 25.043 17.507 1.00 50.00 H new ATOM 185 N ASP A 12 -9.082 28.050 18.986 1.00 50.00 N ATOM 186 CA ASP A 12 -9.726 29.018 18.053 1.00 50.00 C ATOM 187 C ASP A 12 -10.499 30.081 18.841 1.00 50.00 C ATOM 188 O ASP A 12 -10.320 31.266 18.643 1.00 50.00 O ATOM 189 CB ASP A 12 -10.683 28.177 17.208 1.00 50.00 C ATOM 190 CG ASP A 12 -10.054 27.908 15.839 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.129 28.620 15.484 1.00 50.00 O ATOM 192 OD2 ASP A 12 -10.508 26.994 15.171 1.00 50.00 O ATOM 0 H ASP A 12 -9.529 27.134 19.036 1.00 50.00 H new ATOM 0 HA ASP A 12 -8.996 29.546 17.439 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.898 27.235 17.712 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.633 28.698 17.088 1.00 50.00 H new ATOM 197 N ASP A 13 -11.356 29.665 19.734 1.00 50.00 N ATOM 198 CA ASP A 13 -12.139 30.654 20.532 1.00 50.00 C ATOM 199 C ASP A 13 -11.212 31.741 21.080 1.00 50.00 C ATOM 200 O ASP A 13 -11.355 32.908 20.768 1.00 50.00 O ATOM 201 CB ASP A 13 -12.751 29.845 21.677 1.00 50.00 C ATOM 202 CG ASP A 13 -14.277 29.945 21.616 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.822 29.734 20.545 1.00 50.00 O ATOM 204 OD2 ASP A 13 -14.874 30.230 22.640 1.00 50.00 O ATOM 0 H ASP A 13 -11.548 28.686 19.946 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.901 31.156 19.935 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.441 28.802 21.605 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.390 30.220 22.635 1.00 50.00 H new ATOM 209 N GLN A 14 -10.261 31.370 21.893 1.00 50.00 N ATOM 210 CA GLN A 14 -9.327 32.386 22.457 1.00 50.00 C ATOM 211 C GLN A 14 -8.472 32.995 21.343 1.00 50.00 C ATOM 212 O GLN A 14 -7.837 34.014 21.522 1.00 50.00 O ATOM 213 CB GLN A 14 -8.452 31.614 23.445 1.00 50.00 C ATOM 214 CG GLN A 14 -7.489 32.581 24.138 1.00 50.00 C ATOM 215 CD GLN A 14 -8.057 32.976 25.502 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.450 34.107 25.706 1.00 50.00 O ATOM 217 NE2 GLN A 14 -8.116 32.084 26.454 1.00 50.00 N ATOM 0 H GLN A 14 -10.090 30.409 22.191 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.854 33.210 22.938 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -9.076 31.113 24.185 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.892 30.839 22.922 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.512 32.113 24.261 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.342 33.468 23.522 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.786 31.134 26.284 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -8.492 32.337 27.368 1.00 50.00 H new ATOM 226 N GLY A 15 -8.453 32.379 20.192 1.00 50.00 N ATOM 227 CA GLY A 15 -7.640 32.925 19.068 1.00 50.00 C ATOM 228 C GLY A 15 -6.152 32.810 19.409 1.00 50.00 C ATOM 229 O GLY A 15 -5.392 33.741 19.236 1.00 50.00 O ATOM 0 H GLY A 15 -8.965 31.522 19.982 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.857 32.379 18.150 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.903 33.967 18.888 1.00 50.00 H new ATOM 233 N TRP A 16 -5.730 31.674 19.894 1.00 50.00 N ATOM 234 CA TRP A 16 -4.291 31.502 20.246 1.00 50.00 C ATOM 235 C TRP A 16 -3.514 30.959 19.044 1.00 50.00 C ATOM 236 O TRP A 16 -4.057 30.776 17.973 1.00 50.00 O ATOM 237 CB TRP A 16 -4.280 30.491 21.393 1.00 50.00 C ATOM 238 CG TRP A 16 -3.933 31.187 22.669 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.325 30.606 23.728 1.00 50.00 C ATOM 240 CD2 TRP A 16 -4.163 32.577 23.042 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.166 31.550 24.727 1.00 50.00 N ATOM 242 CE2 TRP A 16 -3.667 32.781 24.352 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.748 33.671 22.378 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -3.747 34.024 24.979 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.830 34.923 23.007 1.00 50.00 C ATOM 246 CH2 TRP A 16 -4.331 35.099 24.305 1.00 50.00 C ATOM 0 H TRP A 16 -6.319 30.858 20.062 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.820 32.443 20.529 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.256 30.014 21.481 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.557 29.702 21.189 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.014 29.573 23.785 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.732 31.360 25.630 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.136 33.546 21.378 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.360 34.155 25.979 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -5.280 35.756 22.488 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -4.398 36.065 24.783 1.00 50.00 H new ATOM 257 N ASP A 17 -2.246 30.701 19.213 1.00 50.00 N ATOM 258 CA ASP A 17 -1.436 30.172 18.078 1.00 50.00 C ATOM 259 C ASP A 17 -1.372 28.644 18.141 1.00 50.00 C ATOM 260 O ASP A 17 -1.889 28.028 19.051 1.00 50.00 O ATOM 261 CB ASP A 17 -0.045 30.776 18.269 1.00 50.00 C ATOM 262 CG ASP A 17 -0.142 32.302 18.207 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.891 32.795 17.379 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.533 32.952 18.988 1.00 50.00 O ATOM 0 H ASP A 17 -1.736 30.833 20.086 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.863 30.432 17.109 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.370 30.465 19.228 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.631 30.412 17.496 1.00 50.00 H new ATOM 269 N MET A 18 -0.740 28.030 17.178 1.00 50.00 N ATOM 270 CA MET A 18 -0.643 26.542 17.182 1.00 50.00 C ATOM 271 C MET A 18 0.276 26.074 18.313 1.00 50.00 C ATOM 272 O MET A 18 -0.052 25.173 19.059 1.00 50.00 O ATOM 273 CB MET A 18 -0.043 26.183 15.822 1.00 50.00 C ATOM 274 CG MET A 18 -1.134 25.606 14.917 1.00 50.00 C ATOM 275 SD MET A 18 -1.408 23.867 15.335 1.00 50.00 S ATOM 276 CE MET A 18 0.176 23.238 14.726 1.00 50.00 C ATOM 0 H MET A 18 -0.287 28.493 16.390 1.00 50.00 H new ATOM 0 HA MET A 18 -1.610 26.065 17.342 1.00 50.00 H new ATOM 0 HB2 MET A 18 0.395 27.068 15.361 1.00 50.00 H new ATOM 0 HB3 MET A 18 0.761 25.458 15.948 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.059 26.170 15.039 1.00 50.00 H new ATOM 0 HG3 MET A 18 -0.840 25.698 13.871 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.022 22.274 14.240 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.596 23.943 14.008 1.00 50.00 H new ATOM 0 HE3 MET A 18 0.865 23.117 15.562 1.00 50.00 H new ATOM 286 N ASP A 19 1.426 26.678 18.444 1.00 50.00 N ATOM 287 CA ASP A 19 2.364 26.264 19.526 1.00 50.00 C ATOM 288 C ASP A 19 3.167 27.469 20.022 1.00 50.00 C ATOM 289 O ASP A 19 4.151 27.328 20.721 1.00 50.00 O ATOM 290 CB ASP A 19 3.288 25.236 18.875 1.00 50.00 C ATOM 291 CG ASP A 19 3.764 25.763 17.518 1.00 50.00 C ATOM 292 OD1 ASP A 19 4.265 26.875 17.479 1.00 50.00 O ATOM 293 OD2 ASP A 19 3.617 25.045 16.542 1.00 50.00 O ATOM 0 H ASP A 19 1.756 27.439 17.850 1.00 50.00 H new ATOM 0 HA ASP A 19 1.842 25.854 20.391 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.144 25.040 19.521 1.00 50.00 H new ATOM 0 HB3 ASP A 19 2.763 24.290 18.746 1.00 50.00 H new ATOM 298 N ASP A 20 2.754 28.655 19.668 1.00 50.00 N ATOM 299 CA ASP A 20 3.492 29.868 20.120 1.00 50.00 C ATOM 300 C ASP A 20 3.217 30.131 21.602 1.00 50.00 C ATOM 301 O ASP A 20 4.125 30.269 22.398 1.00 50.00 O ATOM 302 CB ASP A 20 2.944 31.009 19.263 1.00 50.00 C ATOM 303 CG ASP A 20 3.903 32.199 19.325 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.683 32.257 20.261 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.841 33.032 18.436 1.00 50.00 O ATOM 0 H ASP A 20 1.937 28.836 19.085 1.00 50.00 H new ATOM 0 HA ASP A 20 4.571 29.759 20.011 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.824 30.678 18.231 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.957 31.304 19.620 1.00 50.00 H new ATOM 310 N ASP A 21 1.970 30.205 21.980 1.00 50.00 N ATOM 311 CA ASP A 21 1.637 30.461 23.411 1.00 50.00 C ATOM 312 C ASP A 21 1.753 29.173 24.228 1.00 50.00 C ATOM 313 O ASP A 21 1.376 29.129 25.382 1.00 50.00 O ATOM 314 CB ASP A 21 0.193 30.961 23.401 1.00 50.00 C ATOM 315 CG ASP A 21 0.095 32.224 22.542 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.314 32.121 21.345 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.193 33.272 23.094 1.00 50.00 O ATOM 0 H ASP A 21 1.167 30.099 21.360 1.00 50.00 H new ATOM 0 HA ASP A 21 2.316 31.183 23.865 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.468 30.189 23.007 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.136 31.174 24.418 1.00 50.00 H new ATOM 322 N ASP A 22 2.269 28.127 23.644 1.00 50.00 N ATOM 323 CA ASP A 22 2.400 26.849 24.399 1.00 50.00 C ATOM 324 C ASP A 22 1.125 26.584 25.203 1.00 50.00 C ATOM 325 O ASP A 22 1.161 26.416 26.404 1.00 50.00 O ATOM 326 CB ASP A 22 3.593 27.056 25.334 1.00 50.00 C ATOM 327 CG ASP A 22 4.262 25.709 25.612 1.00 50.00 C ATOM 328 OD1 ASP A 22 4.075 24.802 24.818 1.00 50.00 O ATOM 329 OD2 ASP A 22 4.951 25.607 26.614 1.00 50.00 O ATOM 0 H ASP A 22 2.604 28.101 22.681 1.00 50.00 H new ATOM 0 HA ASP A 22 2.547 25.993 23.741 1.00 50.00 H new ATOM 0 HB2 ASP A 22 4.308 27.743 24.882 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.262 27.510 26.268 1.00 50.00 H new ATOM 334 N LEU A 23 -0.001 26.559 24.544 1.00 50.00 N ATOM 335 CA LEU A 23 -1.294 26.316 25.254 1.00 50.00 C ATOM 336 C LEU A 23 -1.124 25.273 26.366 1.00 50.00 C ATOM 337 O LEU A 23 -1.411 25.532 27.518 1.00 50.00 O ATOM 338 CB LEU A 23 -2.239 25.791 24.174 1.00 50.00 C ATOM 339 CG LEU A 23 -2.529 26.905 23.167 1.00 50.00 C ATOM 340 CD1 LEU A 23 -1.672 26.700 21.917 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.010 26.873 22.781 1.00 50.00 C ATOM 0 H LEU A 23 -0.084 26.697 23.537 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.669 27.220 25.734 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -1.791 24.936 23.668 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -3.168 25.443 24.626 1.00 50.00 H new ATOM 0 HG LEU A 23 -2.292 27.869 23.616 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -1.879 27.494 21.200 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -0.617 26.724 22.191 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -1.908 25.735 21.468 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.216 27.667 22.063 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.249 25.908 22.333 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.621 27.021 23.671 1.00 50.00 H new ATOM 353 N PHE A 24 -0.663 24.098 26.035 1.00 50.00 N ATOM 354 CA PHE A 24 -0.481 23.048 27.079 1.00 50.00 C ATOM 355 C PHE A 24 0.222 23.650 28.293 1.00 50.00 C ATOM 356 O PHE A 24 0.085 23.182 29.405 1.00 50.00 O ATOM 357 CB PHE A 24 0.399 21.982 26.427 1.00 50.00 C ATOM 358 CG PHE A 24 -0.442 21.113 25.524 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.461 20.321 26.066 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.203 21.098 24.145 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.241 19.513 25.229 1.00 50.00 C ATOM 362 CE2 PHE A 24 -0.983 20.291 23.308 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.001 19.499 23.850 1.00 50.00 C ATOM 0 H PHE A 24 -0.405 23.819 25.088 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.429 22.633 27.422 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.196 22.455 25.854 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.877 21.372 27.194 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.646 20.333 27.130 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.583 21.709 23.727 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -3.027 18.901 25.647 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -0.799 20.280 22.244 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.602 18.876 23.204 1.00 50.00 H new ATOM 373 N GLU A 25 0.977 24.688 28.078 1.00 50.00 N ATOM 374 CA GLU A 25 1.699 25.338 29.211 1.00 50.00 C ATOM 375 C GLU A 25 0.916 26.555 29.708 1.00 50.00 C ATOM 376 O GLU A 25 0.601 26.667 30.877 1.00 50.00 O ATOM 377 CB GLU A 25 3.045 25.771 28.626 1.00 50.00 C ATOM 378 CG GLU A 25 3.877 26.454 29.713 1.00 50.00 C ATOM 379 CD GLU A 25 5.086 27.140 29.073 1.00 50.00 C ATOM 380 OE1 GLU A 25 6.093 26.475 28.895 1.00 50.00 O ATOM 381 OE2 GLU A 25 4.984 28.318 28.772 1.00 50.00 O ATOM 0 H GLU A 25 1.128 25.118 27.165 1.00 50.00 H new ATOM 0 HA GLU A 25 1.820 24.668 30.062 1.00 50.00 H new ATOM 0 HB2 GLU A 25 3.579 24.905 28.234 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.888 26.453 27.791 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.269 27.186 30.245 1.00 50.00 H new ATOM 0 HG3 GLU A 25 4.208 25.720 30.448 1.00 50.00 H new ATOM 388 N LYS A 26 0.600 27.468 28.832 1.00 50.00 N ATOM 389 CA LYS A 26 -0.162 28.677 29.256 1.00 50.00 C ATOM 390 C LYS A 26 -1.573 28.283 29.700 1.00 50.00 C ATOM 391 O LYS A 26 -2.180 28.936 30.526 1.00 50.00 O ATOM 392 CB LYS A 26 -0.217 29.566 28.015 1.00 50.00 C ATOM 393 CG LYS A 26 0.315 30.960 28.360 1.00 50.00 C ATOM 394 CD LYS A 26 1.833 30.896 28.538 1.00 50.00 C ATOM 395 CE LYS A 26 2.274 31.968 29.537 1.00 50.00 C ATOM 396 NZ LYS A 26 3.497 32.570 28.936 1.00 50.00 N ATOM 0 H LYS A 26 0.836 27.430 27.840 1.00 50.00 H new ATOM 0 HA LYS A 26 0.305 29.186 30.099 1.00 50.00 H new ATOM 0 HB2 LYS A 26 0.377 29.127 27.214 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.242 29.636 27.650 1.00 50.00 H new ATOM 0 HG2 LYS A 26 0.060 31.665 27.568 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -0.154 31.324 29.274 1.00 50.00 H new ATOM 0 HD2 LYS A 26 2.127 29.909 28.894 1.00 50.00 H new ATOM 0 HD3 LYS A 26 2.329 31.050 27.580 1.00 50.00 H new ATOM 0 HE2 LYS A 26 1.495 32.717 29.683 1.00 50.00 H new ATOM 0 HE3 LYS A 26 2.486 31.534 30.514 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 3.861 33.316 29.563 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 4.222 31.835 28.815 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 3.263 32.980 28.010 1.00 50.00 H new ATOM 410 N ALA A 27 -2.097 27.219 29.158 1.00 50.00 N ATOM 411 CA ALA A 27 -3.468 26.782 29.549 1.00 50.00 C ATOM 412 C ALA A 27 -3.529 26.538 31.059 1.00 50.00 C ATOM 413 O ALA A 27 -4.566 26.669 31.678 1.00 50.00 O ATOM 414 CB ALA A 27 -3.701 25.480 28.784 1.00 50.00 C ATOM 0 H ALA A 27 -1.636 26.633 28.462 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.225 27.530 29.316 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -4.692 25.093 29.019 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -3.629 25.669 27.713 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -2.947 24.748 29.074 1.00 50.00 H new ATOM 420 N ALA A 28 -2.423 26.186 31.655 1.00 50.00 N ATOM 421 CA ALA A 28 -2.416 25.937 33.124 1.00 50.00 C ATOM 422 C ALA A 28 -2.574 27.258 33.884 1.00 50.00 C ATOM 423 O ALA A 28 -3.037 27.289 35.006 1.00 50.00 O ATOM 424 CB ALA A 28 -1.051 25.312 33.412 1.00 50.00 C ATOM 0 H ALA A 28 -1.525 26.060 31.189 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.235 25.290 33.438 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -0.966 25.098 34.477 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -0.948 24.386 32.846 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.264 26.006 33.118 1.00 50.00 H new ATOM 430 N ASP A 29 -2.192 28.348 33.276 1.00 50.00 N ATOM 431 CA ASP A 29 -2.319 29.667 33.960 1.00 50.00 C ATOM 432 C ASP A 29 -3.754 30.189 33.841 1.00 50.00 C ATOM 433 O ASP A 29 -4.203 30.989 34.637 1.00 50.00 O ATOM 434 CB ASP A 29 -1.349 30.591 33.222 1.00 50.00 C ATOM 435 CG ASP A 29 -0.721 31.572 34.216 1.00 50.00 C ATOM 436 OD1 ASP A 29 -1.468 32.278 34.872 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.495 31.599 34.302 1.00 50.00 O ATOM 0 H ASP A 29 -1.798 28.383 32.336 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.092 29.604 35.024 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -0.571 30.004 32.734 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.875 31.137 32.439 1.00 50.00 H new ATOM 442 N ALA A 30 -4.477 29.741 32.851 1.00 50.00 N ATOM 443 CA ALA A 30 -5.883 30.210 32.683 1.00 50.00 C ATOM 444 C ALA A 30 -6.824 29.383 33.559 1.00 50.00 C ATOM 445 O ALA A 30 -7.606 29.912 34.323 1.00 50.00 O ATOM 446 CB ALA A 30 -6.198 29.993 31.202 1.00 50.00 C ATOM 0 H ALA A 30 -4.156 29.071 32.152 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.009 31.252 32.978 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.219 30.315 30.996 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.505 30.574 30.594 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.095 28.935 30.959 1.00 50.00 H new ATOM 452 N GLY A 31 -6.751 28.088 33.454 1.00 50.00 N ATOM 453 CA GLY A 31 -7.638 27.218 34.279 1.00 50.00 C ATOM 454 C GLY A 31 -8.829 26.758 33.435 1.00 50.00 C ATOM 455 O GLY A 31 -9.969 27.028 33.754 1.00 50.00 O ATOM 0 H GLY A 31 -6.114 27.591 32.831 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.082 26.354 34.643 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -7.988 27.764 35.155 1.00 50.00 H new ATOM 459 N LEU A 32 -8.572 26.063 32.359 1.00 50.00 N ATOM 460 CA LEU A 32 -9.689 25.585 31.493 1.00 50.00 C ATOM 461 C LEU A 32 -10.312 24.315 32.079 1.00 50.00 C ATOM 462 O LEU A 32 -9.800 23.738 33.019 1.00 50.00 O ATOM 463 CB LEU A 32 -9.043 25.286 30.141 1.00 50.00 C ATOM 464 CG LEU A 32 -8.703 26.600 29.436 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.334 26.476 28.765 1.00 50.00 C ATOM 466 CD2 LEU A 32 -9.765 26.901 28.377 1.00 50.00 C ATOM 0 H LEU A 32 -7.637 25.806 32.042 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.488 26.322 31.411 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.140 24.692 30.281 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.721 24.695 29.525 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.680 27.409 30.166 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.089 27.411 28.262 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -6.577 26.261 29.519 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.359 25.667 28.035 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.523 27.837 27.875 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.789 26.093 27.646 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.741 26.988 28.855 1.00 50.00 H new ATOM 478 N ASP A 33 -11.411 23.874 31.530 1.00 50.00 N ATOM 479 CA ASP A 33 -12.064 22.641 32.054 1.00 50.00 C ATOM 480 C ASP A 33 -11.264 21.403 31.635 1.00 50.00 C ATOM 481 O ASP A 33 -10.610 21.392 30.612 1.00 50.00 O ATOM 482 CB ASP A 33 -13.452 22.626 31.414 1.00 50.00 C ATOM 483 CG ASP A 33 -14.326 23.702 32.064 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.103 23.994 33.227 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.203 24.213 31.387 1.00 50.00 O ATOM 0 H ASP A 33 -11.885 24.314 30.741 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.118 22.631 33.143 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.372 22.806 30.342 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.911 21.645 31.539 1.00 50.00 H new ATOM 490 N GLY A 34 -11.308 20.363 32.422 1.00 50.00 N ATOM 491 CA GLY A 34 -10.548 19.131 32.071 1.00 50.00 C ATOM 492 C GLY A 34 -11.134 18.505 30.804 1.00 50.00 C ATOM 493 O GLY A 34 -10.446 17.844 30.052 1.00 50.00 O ATOM 0 H GLY A 34 -11.837 20.314 33.293 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.497 19.373 31.915 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -10.593 18.418 32.894 1.00 50.00 H new ATOM 497 N GLU A 35 -12.400 18.705 30.561 1.00 50.00 N ATOM 498 CA GLU A 35 -13.026 18.115 29.342 1.00 50.00 C ATOM 499 C GLU A 35 -12.419 18.736 28.080 1.00 50.00 C ATOM 500 O GLU A 35 -12.650 18.279 26.978 1.00 50.00 O ATOM 501 CB GLU A 35 -14.511 18.463 29.452 1.00 50.00 C ATOM 502 CG GLU A 35 -15.252 17.931 28.223 1.00 50.00 C ATOM 503 CD GLU A 35 -16.470 17.121 28.670 1.00 50.00 C ATOM 504 OE1 GLU A 35 -17.214 17.617 29.501 1.00 50.00 O ATOM 505 OE2 GLU A 35 -16.640 16.020 28.175 1.00 50.00 O ATOM 0 H GLU A 35 -13.028 19.250 31.152 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.864 17.039 29.274 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.931 18.029 30.359 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.638 19.543 29.527 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -15.566 18.760 27.588 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.587 17.307 27.626 1.00 50.00 H new ATOM 512 N ASP A 36 -11.644 19.776 28.233 1.00 50.00 N ATOM 513 CA ASP A 36 -11.021 20.426 27.044 1.00 50.00 C ATOM 514 C ASP A 36 -9.497 20.439 27.189 1.00 50.00 C ATOM 515 O ASP A 36 -8.775 20.027 26.303 1.00 50.00 O ATOM 516 CB ASP A 36 -11.572 21.852 27.041 1.00 50.00 C ATOM 517 CG ASP A 36 -12.997 21.846 26.485 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.206 21.229 25.453 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.854 22.457 27.101 1.00 50.00 O ATOM 0 H ASP A 36 -11.415 20.204 29.130 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.247 19.899 26.117 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.567 22.258 28.053 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -10.936 22.498 26.435 1.00 50.00 H new ATOM 524 N TYR A 37 -9.003 20.908 28.302 1.00 12.50 N ATOM 525 CA TYR A 37 -7.527 20.946 28.504 1.00 12.50 C ATOM 526 C TYR A 37 -7.153 20.204 29.791 1.00 12.50 C ATOM 527 O TYR A 37 -7.812 20.328 30.804 1.00 12.50 O ATOM 528 CB TYR A 37 -7.182 22.435 28.615 1.00 12.50 C ATOM 529 CG TYR A 37 -5.833 22.598 29.277 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.695 22.020 28.700 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.721 23.322 30.471 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.447 22.168 29.315 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.472 23.467 31.087 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.335 22.891 30.509 1.00 12.50 C ATOM 535 OH TYR A 37 -2.104 23.034 31.117 1.00 50.00 O ATOM 0 H TYR A 37 -9.557 21.266 29.080 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.983 20.464 27.692 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.169 22.890 27.625 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.947 22.953 29.194 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.781 21.460 27.780 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.598 23.768 30.916 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.569 21.724 28.869 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.386 24.024 32.009 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.404 23.075 30.433 1.00 50.00 H new ATOM 545 N GLY A 38 -6.098 19.436 29.761 1.00 10.00 N ATOM 546 CA GLY A 38 -5.685 18.694 30.984 1.00 10.00 C ATOM 547 C GLY A 38 -4.716 17.574 30.601 1.00 10.00 C ATOM 548 O GLY A 38 -4.625 17.183 29.455 1.00 10.00 O ATOM 0 H GLY A 38 -5.506 19.291 28.943 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.210 19.374 31.691 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.560 18.277 31.482 1.00 10.00 H new ATOM 552 N THR A 39 -3.992 17.055 31.554 1.00 10.00 N ATOM 553 CA THR A 39 -3.029 15.960 31.247 1.00 10.00 C ATOM 554 C THR A 39 -3.753 14.612 31.223 1.00 10.00 C ATOM 555 O THR A 39 -4.399 14.227 32.178 1.00 10.00 O ATOM 556 CB THR A 39 -2.007 16.002 32.384 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.943 17.318 32.914 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.631 15.596 31.852 1.00 50.00 C ATOM 0 H THR A 39 -4.026 17.342 32.532 1.00 10.00 H new ATOM 0 HA THR A 39 -2.558 16.084 30.272 1.00 10.00 H new ATOM 0 HB THR A 39 -2.309 15.309 33.169 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.290 17.345 33.644 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.096 15.626 32.663 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.681 14.585 31.447 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.327 16.287 31.066 1.00 50.00 H new ATOM 566 N MET A 40 -3.649 13.889 30.141 1.00 10.00 N ATOM 567 CA MET A 40 -4.330 12.567 30.059 1.00 10.00 C ATOM 568 C MET A 40 -3.360 11.453 30.462 1.00 10.00 C ATOM 569 O MET A 40 -2.265 11.353 29.946 1.00 10.00 O ATOM 570 CB MET A 40 -4.741 12.417 28.595 1.00 10.00 C ATOM 571 CG MET A 40 -6.239 12.113 28.516 1.00 10.00 C ATOM 572 SD MET A 40 -6.757 12.077 26.784 1.00 12.50 S ATOM 573 CE MET A 40 -6.255 10.374 26.434 1.00 50.00 C ATOM 0 H MET A 40 -3.121 14.158 29.310 1.00 10.00 H new ATOM 0 HA MET A 40 -5.189 12.502 30.727 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.515 13.332 28.047 1.00 10.00 H new ATOM 0 HB3 MET A 40 -4.171 11.615 28.126 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.452 11.155 28.990 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.804 12.870 29.060 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.006 9.895 25.806 1.00 50.00 H new ATOM 0 HE2 MET A 40 -5.296 10.377 25.915 1.00 50.00 H new ATOM 0 HE3 MET A 40 -6.160 9.823 27.370 1.00 50.00 H new ATOM 583 N GLU A 41 -3.753 10.614 31.382 1.00 10.00 N ATOM 584 CA GLU A 41 -2.850 9.511 31.816 1.00 10.00 C ATOM 585 C GLU A 41 -3.418 8.157 31.383 1.00 10.00 C ATOM 586 O GLU A 41 -4.424 7.703 31.891 1.00 10.00 O ATOM 587 CB GLU A 41 -2.808 9.610 33.342 1.00 10.00 C ATOM 588 CG GLU A 41 -1.922 10.787 33.750 1.00 10.00 C ATOM 589 CD GLU A 41 -2.087 11.058 35.247 1.00 12.50 C ATOM 590 OE1 GLU A 41 -1.757 10.179 36.027 1.00 12.50 O ATOM 591 OE2 GLU A 41 -2.543 12.137 35.587 1.00 12.50 O ATOM 0 H GLU A 41 -4.658 10.645 31.851 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.857 9.594 31.373 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -3.815 9.745 33.737 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.420 8.684 33.767 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.879 10.566 33.523 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.192 11.674 33.177 1.00 10.00 H new ATOM 598 N VAL A 42 -2.780 7.508 30.447 1.00 10.00 N ATOM 599 CA VAL A 42 -3.284 6.183 29.985 1.00 10.00 C ATOM 600 C VAL A 42 -2.238 5.098 30.258 1.00 10.00 C ATOM 601 O VAL A 42 -1.168 5.096 29.683 1.00 10.00 O ATOM 602 CB VAL A 42 -3.510 6.348 28.483 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.039 5.035 27.899 1.00 10.00 C ATOM 604 CG2 VAL A 42 -4.530 7.463 28.242 1.00 10.00 C ATOM 0 H VAL A 42 -1.933 7.837 29.983 1.00 10.00 H new ATOM 0 HA VAL A 42 -4.195 5.882 30.502 1.00 10.00 H new ATOM 0 HB VAL A 42 -2.568 6.606 27.999 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.200 5.152 26.827 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -3.312 4.241 28.072 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -4.981 4.776 28.382 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.692 7.582 27.171 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -5.472 7.205 28.725 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -4.153 8.397 28.658 1.00 10.00 H new ATOM 614 N ALA A 43 -2.539 4.178 31.132 1.00 10.00 N ATOM 615 CA ALA A 43 -1.560 3.097 31.441 1.00 10.00 C ATOM 616 C ALA A 43 -1.059 2.452 30.148 1.00 10.00 C ATOM 617 O ALA A 43 -1.749 2.426 29.148 1.00 10.00 O ATOM 618 CB ALA A 43 -2.340 2.083 32.277 1.00 50.00 C ATOM 0 H ALA A 43 -3.419 4.127 31.645 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.684 3.473 31.969 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.686 1.253 32.546 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.707 2.564 33.184 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -3.184 1.707 31.699 1.00 50.00 H new ATOM 624 N GLU A 44 0.136 1.930 30.160 1.00 10.00 N ATOM 625 CA GLU A 44 0.677 1.286 28.929 1.00 10.00 C ATOM 626 C GLU A 44 -0.073 -0.019 28.648 1.00 10.00 C ATOM 627 O GLU A 44 -0.023 -0.954 29.421 1.00 10.00 O ATOM 628 CB GLU A 44 2.147 1.006 29.239 1.00 10.00 C ATOM 629 CG GLU A 44 3.020 1.586 28.122 1.00 10.00 C ATOM 630 CD GLU A 44 4.480 1.615 28.580 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.842 0.781 29.394 1.00 25.00 O ATOM 632 OE2 GLU A 44 5.210 2.471 28.109 1.00 25.00 O ATOM 0 H GLU A 44 0.760 1.921 30.966 1.00 10.00 H new ATOM 0 HA GLU A 44 0.563 1.916 28.047 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.419 1.450 30.197 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.314 -0.068 29.326 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.923 0.983 27.219 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.686 2.593 27.870 1.00 10.00 H new ATOM 639 N GLY A 45 -0.772 -0.083 27.549 1.00 10.00 N ATOM 640 CA GLY A 45 -1.530 -1.322 27.221 1.00 10.00 C ATOM 641 C GLY A 45 -3.029 -1.022 27.260 1.00 10.00 C ATOM 642 O GLY A 45 -3.845 -1.842 26.890 1.00 10.00 O ATOM 0 H GLY A 45 -0.851 0.669 26.864 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.246 -1.685 26.233 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.286 -2.110 27.933 1.00 10.00 H new ATOM 646 N GLU A 46 -3.398 0.148 27.705 1.00 10.00 N ATOM 647 CA GLU A 46 -4.845 0.500 27.766 1.00 10.00 C ATOM 648 C GLU A 46 -5.197 1.482 26.646 1.00 10.00 C ATOM 649 O GLU A 46 -4.623 2.548 26.539 1.00 10.00 O ATOM 650 CB GLU A 46 -5.036 1.153 29.135 1.00 10.00 C ATOM 651 CG GLU A 46 -6.479 0.949 29.601 1.00 10.00 C ATOM 652 CD GLU A 46 -6.481 0.225 30.949 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.907 0.756 31.886 1.00 10.00 O ATOM 654 OE2 GLU A 46 -7.055 -0.849 31.022 1.00 10.00 O ATOM 0 H GLU A 46 -2.760 0.875 28.029 1.00 10.00 H new ATOM 0 HA GLU A 46 -5.489 -0.370 27.638 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -4.345 0.718 29.857 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.808 2.217 29.077 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.983 1.911 29.692 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -7.032 0.368 28.863 1.00 10.00 H new ATOM 661 N TYR A 47 -6.134 1.133 25.807 1.00 10.00 N ATOM 662 CA TYR A 47 -6.517 2.049 24.695 1.00 10.00 C ATOM 663 C TYR A 47 -6.718 3.471 25.226 1.00 10.00 C ATOM 664 O TYR A 47 -7.495 3.704 26.130 1.00 10.00 O ATOM 665 CB TYR A 47 -7.830 1.486 24.151 1.00 10.00 C ATOM 666 CG TYR A 47 -7.590 0.106 23.586 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.567 -0.103 22.652 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.391 -0.966 23.998 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.346 -1.383 22.130 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.169 -2.246 23.476 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.147 -2.455 22.543 1.00 10.00 C ATOM 672 OH TYR A 47 -6.929 -3.717 22.029 1.00 10.00 O ATOM 0 H TYR A 47 -6.650 0.254 25.843 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.749 2.106 23.923 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.575 1.441 24.945 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.227 2.143 23.378 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.949 0.724 22.335 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.180 -0.806 24.718 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.558 -1.544 21.409 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.787 -3.073 23.794 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.571 -4.345 22.421 1.00 10.00 H new ATOM 682 N ILE A 48 -6.016 4.420 24.672 1.00 10.00 N ATOM 683 CA ILE A 48 -6.153 5.830 25.141 1.00 10.00 C ATOM 684 C ILE A 48 -7.630 6.215 25.285 1.00 10.00 C ATOM 685 O ILE A 48 -8.125 6.412 26.377 1.00 10.00 O ATOM 686 CB ILE A 48 -5.482 6.670 24.055 1.00 10.00 C ATOM 687 CG1 ILE A 48 -3.967 6.466 24.114 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.805 8.148 24.282 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.401 6.427 22.694 1.00 10.00 C ATOM 0 H ILE A 48 -5.350 4.281 23.912 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.698 5.981 26.120 1.00 10.00 H new ATOM 0 HB ILE A 48 -5.852 6.362 23.077 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.503 7.274 24.680 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.735 5.537 24.635 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.327 8.748 23.508 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.884 8.295 24.240 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.434 8.455 25.260 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.322 6.282 22.736 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.857 5.604 22.143 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.621 7.367 22.189 1.00 10.00 H new ATOM 701 N LEU A 49 -8.334 6.335 24.193 1.00 10.00 N ATOM 702 CA LEU A 49 -9.775 6.719 24.271 1.00 10.00 C ATOM 703 C LEU A 49 -10.475 5.970 25.409 1.00 10.00 C ATOM 704 O LEU A 49 -11.328 6.510 26.085 1.00 10.00 O ATOM 705 CB LEU A 49 -10.370 6.320 22.921 1.00 10.00 C ATOM 706 CG LEU A 49 -11.893 6.452 22.979 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.280 7.933 22.984 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.511 5.769 21.756 1.00 10.00 C ATOM 0 H LEU A 49 -7.975 6.184 23.250 1.00 10.00 H new ATOM 0 HA LEU A 49 -9.900 7.783 24.474 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -9.968 6.956 22.132 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.092 5.295 22.677 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.263 5.977 23.888 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.365 8.025 23.025 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.841 8.421 23.854 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -11.910 8.409 22.076 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.596 5.863 21.797 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.140 6.244 20.848 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.238 4.714 21.752 1.00 10.00 H new ATOM 720 N GLU A 50 -10.126 4.732 25.627 1.00 10.00 N ATOM 721 CA GLU A 50 -10.782 3.960 26.722 1.00 10.00 C ATOM 722 C GLU A 50 -10.406 4.557 28.080 1.00 10.00 C ATOM 723 O GLU A 50 -11.248 4.772 28.929 1.00 10.00 O ATOM 724 CB GLU A 50 -10.239 2.539 26.592 1.00 10.00 C ATOM 725 CG GLU A 50 -11.244 1.554 27.193 1.00 10.00 C ATOM 726 CD GLU A 50 -11.826 0.677 26.084 1.00 50.00 C ATOM 727 OE1 GLU A 50 -11.112 -0.185 25.601 1.00 50.00 O ATOM 728 OE2 GLU A 50 -12.979 0.882 25.737 1.00 50.00 O ATOM 0 H GLU A 50 -9.418 4.223 25.098 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.869 3.984 26.651 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.062 2.300 25.543 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.281 2.456 27.104 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.756 0.933 27.944 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -12.043 2.096 27.699 1.00 10.00 H new ATOM 735 N ALA A 51 -9.147 4.831 28.288 1.00 10.00 N ATOM 736 CA ALA A 51 -8.720 5.418 29.589 1.00 10.00 C ATOM 737 C ALA A 51 -9.220 6.859 29.702 1.00 10.00 C ATOM 738 O ALA A 51 -9.551 7.333 30.770 1.00 10.00 O ATOM 739 CB ALA A 51 -7.192 5.381 29.561 1.00 12.50 C ATOM 0 H ALA A 51 -8.397 4.674 27.615 1.00 10.00 H new ATOM 0 HA ALA A 51 -9.123 4.872 30.442 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.801 5.798 30.489 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.855 4.350 29.456 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.829 5.969 28.718 1.00 12.50 H new ATOM 745 N ALA A 52 -9.279 7.554 28.602 1.00 10.00 N ATOM 746 CA ALA A 52 -9.760 8.964 28.636 1.00 10.00 C ATOM 747 C ALA A 52 -11.283 8.997 28.732 1.00 10.00 C ATOM 748 O ALA A 52 -11.852 9.702 29.541 1.00 10.00 O ATOM 749 CB ALA A 52 -9.287 9.577 27.318 1.00 10.00 C ATOM 0 H ALA A 52 -9.015 7.207 27.680 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.377 9.512 29.497 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.603 10.619 27.267 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.200 9.525 27.262 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.720 9.025 26.484 1.00 10.00 H new ATOM 755 N GLU A 53 -11.945 8.233 27.915 1.00 10.00 N ATOM 756 CA GLU A 53 -13.434 8.208 27.959 1.00 10.00 C ATOM 757 C GLU A 53 -13.902 7.749 29.339 1.00 10.00 C ATOM 758 O GLU A 53 -14.956 8.129 29.809 1.00 10.00 O ATOM 759 CB GLU A 53 -13.849 7.202 26.886 1.00 10.00 C ATOM 760 CG GLU A 53 -15.365 7.264 26.688 1.00 10.00 C ATOM 761 CD GLU A 53 -15.731 8.564 25.968 1.00 10.00 C ATOM 762 OE1 GLU A 53 -14.949 8.997 25.137 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.786 9.103 26.260 1.00 10.00 O ATOM 0 H GLU A 53 -11.521 7.623 27.216 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.873 9.189 27.780 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.340 7.424 25.948 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.551 6.196 27.181 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.702 6.406 26.106 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.871 7.214 27.652 1.00 10.00 H new ATOM 770 N ALA A 54 -13.120 6.937 29.995 1.00 10.00 N ATOM 771 CA ALA A 54 -13.509 6.455 31.350 1.00 10.00 C ATOM 772 C ALA A 54 -13.467 7.614 32.348 1.00 10.00 C ATOM 773 O ALA A 54 -14.071 7.563 33.400 1.00 10.00 O ATOM 774 CB ALA A 54 -12.466 5.396 31.709 1.00 50.00 C ATOM 0 H ALA A 54 -12.227 6.586 29.650 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.521 6.050 31.373 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.684 4.991 32.697 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.495 4.592 30.973 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.474 5.849 31.713 1.00 50.00 H new ATOM 780 N GLN A 55 -12.756 8.660 32.024 1.00 10.00 N ATOM 781 CA GLN A 55 -12.676 9.823 32.953 1.00 10.00 C ATOM 782 C GLN A 55 -13.705 10.886 32.560 1.00 10.00 C ATOM 783 O GLN A 55 -14.237 11.585 33.398 1.00 10.00 O ATOM 784 CB GLN A 55 -11.255 10.362 32.788 1.00 10.00 C ATOM 785 CG GLN A 55 -10.253 9.316 33.278 1.00 10.00 C ATOM 786 CD GLN A 55 -8.832 9.866 33.147 1.00 10.00 C ATOM 787 OE1 GLN A 55 -8.197 9.701 32.124 1.00 10.00 O ATOM 788 NE2 GLN A 55 -8.303 10.519 34.144 1.00 10.00 N ATOM 0 H GLN A 55 -12.228 8.759 31.157 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.889 9.544 33.985 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -11.065 10.601 31.742 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -11.137 11.287 33.353 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.460 9.058 34.317 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.354 8.400 32.696 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.836 10.658 35.003 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.357 10.891 34.065 1.00 10.00 H new ATOM 797 N GLY A 56 -13.991 11.013 31.292 1.00 10.00 N ATOM 798 CA GLY A 56 -14.988 12.030 30.855 1.00 10.00 C ATOM 799 C GLY A 56 -14.566 12.626 29.510 1.00 10.00 C ATOM 800 O GLY A 56 -15.324 13.324 28.866 1.00 10.00 O ATOM 0 H GLY A 56 -13.578 10.458 30.542 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -15.973 11.572 30.767 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.069 12.819 31.603 1.00 10.00 H new ATOM 804 N TYR A 57 -13.363 12.360 29.078 1.00 10.00 N ATOM 805 CA TYR A 57 -12.903 12.917 27.771 1.00 10.00 C ATOM 806 C TYR A 57 -13.704 12.299 26.622 1.00 10.00 C ATOM 807 O TYR A 57 -13.582 11.126 26.328 1.00 10.00 O ATOM 808 CB TYR A 57 -11.426 12.531 27.665 1.00 10.00 C ATOM 809 CG TYR A 57 -10.708 12.874 28.951 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.250 13.818 29.834 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.496 12.248 29.259 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.580 14.133 31.022 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.825 12.562 30.446 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.367 13.504 31.328 1.00 12.50 C ATOM 815 OH TYR A 57 -8.705 13.814 32.499 1.00 12.50 O ATOM 0 H TYR A 57 -12.680 11.784 29.570 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.044 13.996 27.713 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.334 11.464 27.461 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -10.963 13.056 26.829 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.186 14.303 29.598 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.077 11.521 28.579 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.998 14.860 31.702 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -7.889 12.078 30.682 1.00 12.50 H new ATOM 0 HH TYR A 57 -7.880 13.288 32.558 1.00 12.50 H new ATOM 825 N ASP A 58 -14.521 13.080 25.968 1.00 10.00 N ATOM 826 CA ASP A 58 -15.328 12.535 24.837 1.00 10.00 C ATOM 827 C ASP A 58 -14.581 12.727 23.515 1.00 10.00 C ATOM 828 O ASP A 58 -13.855 13.685 23.334 1.00 10.00 O ATOM 829 CB ASP A 58 -16.622 13.348 24.843 1.00 10.00 C ATOM 830 CG ASP A 58 -17.786 12.458 24.406 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.753 11.279 24.718 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.690 12.970 23.767 1.00 10.00 O ATOM 0 H ASP A 58 -14.665 14.070 26.167 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.518 11.467 24.944 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.809 13.746 25.840 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.531 14.201 24.171 1.00 10.00 H new ATOM 837 N TRP A 59 -14.753 11.824 22.587 1.00 10.00 N ATOM 838 CA TRP A 59 -14.051 11.960 21.279 1.00 10.00 C ATOM 839 C TRP A 59 -14.997 11.601 20.131 1.00 10.00 C ATOM 840 O TRP A 59 -15.692 10.607 20.187 1.00 10.00 O ATOM 841 CB TRP A 59 -12.890 10.969 21.350 1.00 10.00 C ATOM 842 CG TRP A 59 -12.031 11.303 22.526 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.347 11.047 23.814 1.00 10.00 C ATOM 844 CD2 TRP A 59 -10.727 11.953 22.546 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.323 11.499 24.626 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.301 12.064 23.890 1.00 50.00 C ATOM 847 CE3 TRP A 59 -9.881 12.452 21.539 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.081 12.650 24.225 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.650 13.042 21.872 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.252 13.140 23.214 1.00 50.00 C ATOM 0 H TRP A 59 -15.348 11.000 22.678 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.707 12.978 21.097 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.270 9.951 21.439 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.303 11.011 20.432 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.253 10.567 24.155 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.323 11.424 25.643 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.179 12.381 20.503 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -8.779 12.724 25.259 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.007 13.422 21.092 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.305 13.594 23.465 1.00 50.00 H new ATOM 861 N PRO A 60 -14.992 12.430 19.125 1.00 10.00 N ATOM 862 CA PRO A 60 -15.861 12.204 17.946 1.00 10.00 C ATOM 863 C PRO A 60 -15.305 11.071 17.078 1.00 10.00 C ATOM 864 O PRO A 60 -14.628 11.306 16.096 1.00 10.00 O ATOM 865 CB PRO A 60 -15.805 13.533 17.200 1.00 10.00 C ATOM 866 CG PRO A 60 -14.508 14.157 17.612 1.00 10.00 C ATOM 867 CD PRO A 60 -14.185 13.648 18.993 1.00 10.00 C ATOM 0 HA PRO A 60 -16.876 11.911 18.214 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.845 13.382 16.121 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.650 14.169 17.464 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.716 13.895 16.911 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -14.587 15.244 17.612 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -13.121 13.435 19.100 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -14.442 14.381 19.758 1.00 10.00 H new ATOM 875 N PHE A 61 -15.584 9.845 17.428 1.00 10.00 N ATOM 876 CA PHE A 61 -15.070 8.706 16.614 1.00 10.00 C ATOM 877 C PHE A 61 -16.235 7.855 16.095 1.00 10.00 C ATOM 878 O PHE A 61 -17.265 7.741 16.730 1.00 10.00 O ATOM 879 CB PHE A 61 -14.182 7.898 17.569 1.00 10.00 C ATOM 880 CG PHE A 61 -15.035 7.002 18.440 1.00 10.00 C ATOM 881 CD1 PHE A 61 -15.648 7.517 19.588 1.00 10.00 C ATOM 882 CD2 PHE A 61 -15.211 5.656 18.096 1.00 10.00 C ATOM 883 CE1 PHE A 61 -16.437 6.688 20.392 1.00 10.00 C ATOM 884 CE2 PHE A 61 -16.001 4.826 18.901 1.00 10.00 C ATOM 885 CZ PHE A 61 -16.615 5.342 20.049 1.00 10.00 C ATOM 0 H PHE A 61 -16.144 9.583 18.239 1.00 10.00 H new ATOM 0 HA PHE A 61 -14.515 9.042 15.738 1.00 10.00 H new ATOM 0 HB2 PHE A 61 -13.474 7.297 16.999 1.00 10.00 H new ATOM 0 HB3 PHE A 61 -13.596 8.574 18.192 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -15.512 8.555 19.853 1.00 10.00 H new ATOM 0 HD2 PHE A 61 -14.738 5.258 17.210 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -16.909 7.086 21.278 1.00 10.00 H new ATOM 0 HE2 PHE A 61 -16.137 3.788 18.636 1.00 10.00 H new ATOM 0 HZ PHE A 61 -17.225 4.702 20.669 1.00 10.00 H new ATOM 895 N SER A 62 -16.076 7.254 14.948 1.00 10.00 N ATOM 896 CA SER A 62 -17.170 6.408 14.391 1.00 10.00 C ATOM 897 C SER A 62 -16.631 5.019 14.042 1.00 10.00 C ATOM 898 O SER A 62 -17.245 4.269 13.311 1.00 10.00 O ATOM 899 CB SER A 62 -17.634 7.139 13.131 1.00 10.00 C ATOM 900 OG SER A 62 -18.844 6.558 12.665 1.00 10.00 O ATOM 0 H SER A 62 -15.236 7.312 14.372 1.00 10.00 H new ATOM 0 HA SER A 62 -17.986 6.264 15.099 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.785 8.197 13.346 1.00 10.00 H new ATOM 0 HB3 SER A 62 -16.867 7.077 12.359 1.00 10.00 H new ATOM 0 HG SER A 62 -18.761 5.582 12.671 1.00 10.00 H new ATOM 906 N CYS A 63 -15.485 4.675 14.562 1.00 10.00 N ATOM 907 CA CYS A 63 -14.900 3.336 14.266 1.00 10.00 C ATOM 908 C CYS A 63 -15.911 2.234 14.595 1.00 10.00 C ATOM 909 O CYS A 63 -16.261 2.020 15.738 1.00 10.00 O ATOM 910 CB CYS A 63 -13.676 3.232 15.176 1.00 10.00 C ATOM 911 SG CYS A 63 -12.179 3.121 14.166 1.00 10.00 S ATOM 0 H CYS A 63 -14.927 5.264 15.180 1.00 10.00 H new ATOM 0 HA CYS A 63 -14.637 3.221 13.214 1.00 10.00 H new ATOM 0 HB2 CYS A 63 -13.622 4.102 15.831 1.00 10.00 H new ATOM 0 HB3 CYS A 63 -13.760 2.355 15.817 1.00 10.00 H new ATOM 916 N ARG A 64 -16.386 1.533 13.600 1.00 10.00 N ATOM 917 CA ARG A 64 -17.374 0.447 13.859 1.00 10.00 C ATOM 918 C ARG A 64 -16.991 -0.815 13.081 1.00 10.00 C ATOM 919 O ARG A 64 -17.168 -1.922 13.550 1.00 10.00 O ATOM 920 CB ARG A 64 -18.709 1.000 13.358 1.00 10.00 C ATOM 921 CG ARG A 64 -19.650 1.212 14.546 1.00 10.00 C ATOM 922 CD ARG A 64 -21.077 1.417 14.034 1.00 10.00 C ATOM 923 NE ARG A 64 -21.814 2.005 15.190 1.00 10.00 N ATOM 924 CZ ARG A 64 -22.180 3.257 15.161 1.00 10.00 C ATOM 925 NH1 ARG A 64 -23.448 3.568 15.206 1.00 10.00 N ATOM 926 NH2 ARG A 64 -21.280 4.199 15.089 1.00 10.00 N ATOM 0 H ARG A 64 -16.133 1.666 12.621 1.00 10.00 H new ATOM 0 HA ARG A 64 -17.416 0.170 14.912 1.00 10.00 H new ATOM 0 HB2 ARG A 64 -18.551 1.942 12.833 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -19.157 0.308 12.644 1.00 10.00 H new ATOM 0 HG2 ARG A 64 -19.611 0.351 15.213 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -19.332 2.078 15.126 1.00 10.00 H new ATOM 0 HD2 ARG A 64 -21.096 2.084 13.172 1.00 10.00 H new ATOM 0 HD3 ARG A 64 -21.524 0.474 13.718 1.00 10.00 H new ATOM 0 HE ARG A 64 -22.032 1.428 16.003 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -24.152 2.832 15.264 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -23.734 4.547 15.183 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -20.290 3.957 15.055 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -21.567 5.178 15.066 1.00 10.00 H new ATOM 940 N ALA A 65 -16.468 -0.658 11.896 1.00 10.00 N ATOM 941 CA ALA A 65 -16.075 -1.849 11.088 1.00 10.00 C ATOM 942 C ALA A 65 -15.207 -1.419 9.902 1.00 10.00 C ATOM 943 O ALA A 65 -14.289 -2.109 9.510 1.00 10.00 O ATOM 944 CB ALA A 65 -17.394 -2.446 10.599 1.00 10.00 C ATOM 0 H ALA A 65 -16.295 0.244 11.451 1.00 10.00 H new ATOM 0 HA ALA A 65 -15.491 -2.567 11.664 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -17.191 -3.330 9.994 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -18.007 -2.725 11.456 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -17.926 -1.709 9.997 1.00 10.00 H new ATOM 950 N GLY A 66 -15.494 -0.282 9.329 1.00 10.00 N ATOM 951 CA GLY A 66 -14.687 0.192 8.171 1.00 10.00 C ATOM 952 C GLY A 66 -13.290 0.590 8.649 1.00 10.00 C ATOM 953 O GLY A 66 -13.092 0.940 9.797 1.00 10.00 O ATOM 0 H GLY A 66 -16.252 0.338 9.613 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -14.615 -0.594 7.419 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -15.177 1.043 7.697 1.00 10.00 H new ATOM 957 N ALA A 67 -12.318 0.542 7.780 1.00 10.00 N ATOM 958 CA ALA A 67 -10.934 0.919 8.188 1.00 10.00 C ATOM 959 C ALA A 67 -10.904 2.375 8.661 1.00 10.00 C ATOM 960 O ALA A 67 -11.797 3.148 8.376 1.00 10.00 O ATOM 961 CB ALA A 67 -10.086 0.747 6.926 1.00 10.00 C ATOM 0 H ALA A 67 -12.422 0.258 6.806 1.00 10.00 H new ATOM 0 HA ALA A 67 -10.564 0.308 9.012 1.00 10.00 H new ATOM 0 HB1 ALA A 67 -9.050 1.006 7.145 1.00 10.00 H new ATOM 0 HB2 ALA A 67 -10.138 -0.289 6.591 1.00 10.00 H new ATOM 0 HB3 ALA A 67 -10.465 1.401 6.141 1.00 10.00 H new ATOM 967 N CYS A 68 -9.886 2.755 9.383 1.00 10.00 N ATOM 968 CA CYS A 68 -9.806 4.160 9.874 1.00 10.00 C ATOM 969 C CYS A 68 -8.556 4.850 9.323 1.00 10.00 C ATOM 970 O CYS A 68 -7.442 4.453 9.602 1.00 10.00 O ATOM 971 CB CYS A 68 -9.723 4.044 11.396 1.00 10.00 C ATOM 972 SG CYS A 68 -10.418 5.533 12.154 1.00 10.00 S ATOM 0 H CYS A 68 -9.107 2.155 9.654 1.00 10.00 H new ATOM 0 HA CYS A 68 -10.662 4.754 9.553 1.00 10.00 H new ATOM 0 HB2 CYS A 68 -10.268 3.163 11.734 1.00 10.00 H new ATOM 0 HB3 CYS A 68 -8.686 3.916 11.706 1.00 10.00 H new ATOM 977 N ALA A 69 -8.733 5.887 8.551 1.00 10.00 N ATOM 978 CA ALA A 69 -7.555 6.609 7.992 1.00 10.00 C ATOM 979 C ALA A 69 -7.261 7.848 8.839 1.00 10.00 C ATOM 980 O ALA A 69 -6.154 8.349 8.866 1.00 10.00 O ATOM 981 CB ALA A 69 -7.969 7.009 6.575 1.00 25.00 C ATOM 0 H ALA A 69 -9.642 6.265 8.283 1.00 10.00 H new ATOM 0 HA ALA A 69 -6.652 5.999 7.989 1.00 10.00 H new ATOM 0 HB1 ALA A 69 -7.151 7.547 6.095 1.00 25.00 H new ATOM 0 HB2 ALA A 69 -8.202 6.114 5.998 1.00 25.00 H new ATOM 0 HB3 ALA A 69 -8.849 7.651 6.621 1.00 25.00 H new ATOM 987 N ASN A 70 -8.249 8.343 9.534 1.00 10.00 N ATOM 988 CA ASN A 70 -8.040 9.547 10.387 1.00 10.00 C ATOM 989 C ASN A 70 -9.044 9.544 11.545 1.00 10.00 C ATOM 990 O ASN A 70 -10.220 9.783 11.360 1.00 10.00 O ATOM 991 CB ASN A 70 -8.289 10.739 9.462 1.00 50.00 C ATOM 992 CG ASN A 70 -9.545 10.488 8.625 1.00 50.00 C ATOM 993 OD1 ASN A 70 -10.649 10.699 9.085 1.00 50.00 O ATOM 994 ND2 ASN A 70 -9.422 10.041 7.405 1.00 50.00 N ATOM 0 H ASN A 70 -9.196 7.963 9.547 1.00 10.00 H new ATOM 0 HA ASN A 70 -7.043 9.579 10.826 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -8.408 11.649 10.050 1.00 50.00 H new ATOM 0 HB3 ASN A 70 -7.429 10.891 8.809 1.00 50.00 H new ATOM 0 HD21 ASN A 70 -10.253 9.869 6.839 1.00 50.00 H new ATOM 0 HD22 ASN A 70 -8.495 9.864 7.018 1.00 50.00 H new ATOM 1001 N CYS A 71 -8.591 9.263 12.737 1.00 10.00 N ATOM 1002 CA CYS A 71 -9.524 9.234 13.899 1.00 10.00 C ATOM 1003 C CYS A 71 -10.058 10.643 14.195 1.00 10.00 C ATOM 1004 O CYS A 71 -10.935 11.132 13.511 1.00 10.00 O ATOM 1005 CB CYS A 71 -8.691 8.699 15.064 1.00 10.00 C ATOM 1006 SG CYS A 71 -9.755 8.474 16.510 1.00 10.00 S ATOM 0 H CYS A 71 -7.617 9.053 12.956 1.00 10.00 H new ATOM 0 HA CYS A 71 -10.398 8.610 13.713 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -8.227 7.752 14.789 1.00 10.00 H new ATOM 0 HB3 CYS A 71 -7.884 9.393 15.297 1.00 10.00 H new ATOM 1011 N ALA A 72 -9.551 11.305 15.206 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.060 12.673 15.513 1.00 10.00 C ATOM 1013 C ALA A 72 -9.176 13.371 16.555 1.00 10.00 C ATOM 1014 O ALA A 72 -9.618 14.267 17.254 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.467 12.447 16.069 1.00 10.00 C ATOM 0 H ALA A 72 -8.816 10.961 15.824 1.00 10.00 H new ATOM 0 HA ALA A 72 -10.057 13.315 14.632 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.917 13.407 16.322 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.079 11.946 15.319 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -11.410 11.826 16.963 1.00 10.00 H new ATOM 1021 N SER A 73 -7.934 12.978 16.661 1.00 10.00 N ATOM 1022 CA SER A 73 -7.027 13.626 17.655 1.00 10.00 C ATOM 1023 C SER A 73 -5.863 14.318 16.938 1.00 10.00 C ATOM 1024 O SER A 73 -5.125 13.701 16.197 1.00 10.00 O ATOM 1025 CB SER A 73 -6.514 12.480 18.528 1.00 50.00 C ATOM 1026 OG SER A 73 -5.582 11.704 17.789 1.00 50.00 O ATOM 0 H SER A 73 -7.508 12.237 16.103 1.00 10.00 H new ATOM 0 HA SER A 73 -7.536 14.390 18.242 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.042 12.876 19.427 1.00 50.00 H new ATOM 0 HB3 SER A 73 -7.346 11.856 18.854 1.00 50.00 H new ATOM 0 HG SER A 73 -5.335 12.182 16.970 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.694 15.595 17.153 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.582 16.328 16.482 1.00 10.00 C ATOM 1034 C ILE A 74 -3.309 16.251 17.330 1.00 10.00 C ATOM 1035 O ILE A 74 -2.962 17.180 18.032 1.00 10.00 O ATOM 1036 CB ILE A 74 -5.078 17.773 16.378 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.500 17.790 15.803 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -4.149 18.574 15.464 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.589 16.833 14.611 1.00 10.00 C ATOM 0 H ILE A 74 -6.279 16.163 17.766 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.334 15.909 15.507 1.00 10.00 H new ATOM 0 HB ILE A 74 -5.083 18.222 17.371 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -7.216 17.497 16.571 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.764 18.800 15.490 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -4.506 19.602 15.393 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.140 18.568 15.876 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -4.139 18.124 14.471 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.601 16.849 14.206 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.885 17.146 13.840 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -6.344 15.822 14.937 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.611 15.150 17.268 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.358 15.014 18.069 1.00 10.00 C ATOM 1053 C VAL A 75 -0.449 16.226 17.840 1.00 10.00 C ATOM 1054 O VAL A 75 -0.022 16.492 16.734 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.692 13.737 17.550 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.189 13.967 16.124 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.485 13.369 18.454 1.00 50.00 C ATOM 0 H VAL A 75 -2.853 14.339 16.699 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.556 14.964 19.140 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.418 12.924 17.552 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.285 13.058 15.754 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.029 14.226 15.479 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.536 14.781 16.121 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.958 12.460 18.083 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.211 14.182 18.455 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.126 13.203 19.470 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.152 16.970 18.875 1.00 10.00 N ATOM 1068 CA LYS A 76 0.725 18.165 18.704 1.00 10.00 C ATOM 1069 C LYS A 76 2.196 17.779 18.891 1.00 10.00 C ATOM 1070 O LYS A 76 3.089 18.575 18.674 1.00 10.00 O ATOM 1071 CB LYS A 76 0.284 19.139 19.796 1.00 25.00 C ATOM 1072 CG LYS A 76 0.412 20.575 19.280 1.00 25.00 C ATOM 1073 CD LYS A 76 1.085 21.445 20.344 1.00 50.00 C ATOM 1074 CE LYS A 76 2.411 20.806 20.762 1.00 50.00 C ATOM 1075 NZ LYS A 76 3.267 21.947 21.191 1.00 50.00 N ATOM 0 H LYS A 76 -0.478 16.802 19.827 1.00 10.00 H new ATOM 0 HA LYS A 76 0.637 18.600 17.708 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.747 18.936 20.085 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.897 19.005 20.687 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.996 20.591 18.360 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.573 20.975 19.039 1.00 25.00 H new ATOM 0 HD2 LYS A 76 1.260 22.447 19.952 1.00 50.00 H new ATOM 0 HD3 LYS A 76 0.431 21.550 21.210 1.00 50.00 H new ATOM 0 HE2 LYS A 76 2.267 20.093 21.574 1.00 50.00 H new ATOM 0 HE3 LYS A 76 2.865 20.261 19.935 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 4.196 21.590 21.493 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 3.391 22.606 20.396 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 2.812 22.443 21.984 1.00 50.00 H new ATOM 1089 N GLU A 77 2.457 16.565 19.293 1.00 10.00 N ATOM 1090 CA GLU A 77 3.871 16.132 19.494 1.00 10.00 C ATOM 1091 C GLU A 77 3.912 14.761 20.170 1.00 10.00 C ATOM 1092 O GLU A 77 2.974 14.354 20.829 1.00 10.00 O ATOM 1093 CB GLU A 77 4.489 17.196 20.401 1.00 10.00 C ATOM 1094 CG GLU A 77 5.559 17.969 19.627 1.00 10.00 C ATOM 1095 CD GLU A 77 6.946 17.573 20.138 1.00 25.00 C ATOM 1096 OE1 GLU A 77 7.044 17.190 21.292 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.888 17.658 19.366 1.00 25.00 O ATOM 0 H GLU A 77 1.753 15.854 19.491 1.00 10.00 H new ATOM 0 HA GLU A 77 4.411 16.038 18.552 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.717 17.879 20.756 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.929 16.727 21.281 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.478 17.755 18.561 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.407 19.041 19.749 1.00 10.00 H new ATOM 1104 N GLY A 78 4.990 14.042 20.012 1.00 10.00 N ATOM 1105 CA GLY A 78 5.088 12.698 20.646 1.00 10.00 C ATOM 1106 C GLY A 78 4.750 11.623 19.611 1.00 10.00 C ATOM 1107 O GLY A 78 5.037 11.765 18.439 1.00 10.00 O ATOM 0 H GLY A 78 5.806 14.328 19.471 1.00 10.00 H new ATOM 0 HA2 GLY A 78 6.094 12.540 21.036 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.404 12.632 21.492 1.00 10.00 H new ATOM 1111 N GLU A 79 4.142 10.548 20.033 1.00 10.00 N ATOM 1112 CA GLU A 79 3.789 9.470 19.065 1.00 10.00 C ATOM 1113 C GLU A 79 2.902 8.414 19.733 1.00 10.00 C ATOM 1114 O GLU A 79 3.187 7.938 20.815 1.00 10.00 O ATOM 1115 CB GLU A 79 5.127 8.859 18.649 1.00 25.00 C ATOM 1116 CG GLU A 79 4.874 7.658 17.737 1.00 25.00 C ATOM 1117 CD GLU A 79 6.203 6.974 17.412 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.912 6.629 18.341 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.487 6.804 16.237 1.00 50.00 O ATOM 0 H GLU A 79 3.875 10.370 21.001 1.00 10.00 H new ATOM 0 HA GLU A 79 3.230 9.854 18.212 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.733 9.602 18.131 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.688 8.549 19.531 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.200 6.954 18.225 1.00 25.00 H new ATOM 0 HG3 GLU A 79 4.386 7.982 16.818 1.00 25.00 H new ATOM 1126 N ILE A 80 1.829 8.043 19.089 1.00 10.00 N ATOM 1127 CA ILE A 80 0.923 7.015 19.674 1.00 10.00 C ATOM 1128 C ILE A 80 1.058 5.701 18.901 1.00 10.00 C ATOM 1129 O ILE A 80 1.346 5.692 17.720 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.485 7.590 19.512 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.632 8.837 20.388 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.516 6.543 19.938 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -1.728 9.737 19.813 1.00 50.00 C ATOM 0 H ILE A 80 1.541 8.408 18.181 1.00 10.00 H new ATOM 0 HA ILE A 80 1.156 6.800 20.717 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.649 7.858 18.468 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.881 8.550 21.410 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.313 9.378 20.430 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.520 6.953 19.823 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.412 5.655 19.314 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.352 6.274 20.981 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -1.834 10.625 20.436 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -1.460 10.035 18.799 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.672 9.193 19.794 1.00 50.00 H new ATOM 1145 N ASP A 81 0.857 4.590 19.556 1.00 10.00 N ATOM 1146 CA ASP A 81 0.980 3.282 18.851 1.00 10.00 C ATOM 1147 C ASP A 81 -0.404 2.674 18.612 1.00 10.00 C ATOM 1148 O ASP A 81 -1.402 3.163 19.105 1.00 10.00 O ATOM 1149 CB ASP A 81 1.801 2.400 19.793 1.00 10.00 C ATOM 1150 CG ASP A 81 2.910 1.705 18.999 1.00 10.00 C ATOM 1151 OD1 ASP A 81 3.557 2.377 18.211 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.092 0.515 19.191 1.00 10.00 O ATOM 0 H ASP A 81 0.614 4.531 20.545 1.00 10.00 H new ATOM 0 HA ASP A 81 1.452 3.383 17.874 1.00 10.00 H new ATOM 0 HB2 ASP A 81 2.233 3.004 20.591 1.00 10.00 H new ATOM 0 HB3 ASP A 81 1.158 1.658 20.267 1.00 10.00 H new ATOM 1157 N MET A 82 -0.471 1.611 17.859 1.00 12.50 N ATOM 1158 CA MET A 82 -1.789 0.969 17.586 1.00 12.50 C ATOM 1159 C MET A 82 -1.582 -0.432 17.007 1.00 12.50 C ATOM 1160 O MET A 82 -0.488 -0.961 17.010 1.00 12.50 O ATOM 1161 CB MET A 82 -2.467 1.877 16.561 1.00 12.50 C ATOM 1162 CG MET A 82 -1.744 1.760 15.218 1.00 12.50 C ATOM 1163 SD MET A 82 -2.185 3.167 14.169 1.00 12.50 S ATOM 1164 CE MET A 82 -0.522 3.859 14.006 1.00 50.00 C ATOM 0 H MET A 82 0.331 1.158 17.420 1.00 12.50 H new ATOM 0 HA MET A 82 -2.389 0.855 18.489 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.514 1.597 16.448 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.449 2.911 16.907 1.00 12.50 H new ATOM 0 HG2 MET A 82 -0.666 1.734 15.375 1.00 12.50 H new ATOM 0 HG3 MET A 82 -2.017 0.827 14.726 1.00 12.50 H new ATOM 0 HE1 MET A 82 -0.584 4.857 13.572 1.00 50.00 H new ATOM 0 HE2 MET A 82 -0.055 3.920 14.989 1.00 50.00 H new ATOM 0 HE3 MET A 82 0.077 3.218 13.359 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.625 -1.037 16.512 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.488 -2.405 15.933 1.00 50.00 C ATOM 1176 C ASP A 83 -2.112 -2.321 14.452 1.00 50.00 C ATOM 1177 O ASP A 83 -2.760 -1.650 13.673 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.867 -3.045 16.099 1.00 50.00 C ATOM 1179 CG ASP A 83 -4.160 -3.243 17.588 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -3.614 -4.171 18.162 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -4.925 -2.461 18.130 1.00 50.00 O ATOM 0 H ASP A 83 -3.566 -0.645 16.483 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.706 -2.983 16.425 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -4.631 -2.411 15.648 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -3.900 -4.003 15.580 1.00 50.00 H new ATOM 1186 N MET A 84 -1.068 -2.998 14.055 1.00 50.00 N ATOM 1187 CA MET A 84 -0.651 -2.958 12.624 1.00 50.00 C ATOM 1188 C MET A 84 -1.747 -3.557 11.739 1.00 50.00 C ATOM 1189 O MET A 84 -1.724 -4.727 11.412 1.00 50.00 O ATOM 1190 CB MET A 84 0.617 -3.809 12.558 1.00 50.00 C ATOM 1191 CG MET A 84 1.723 -3.026 11.850 1.00 50.00 C ATOM 1192 SD MET A 84 2.396 -1.778 12.974 1.00 50.00 S ATOM 1193 CE MET A 84 3.863 -1.364 11.999 1.00 50.00 C ATOM 0 H MET A 84 -0.486 -3.577 14.660 1.00 50.00 H new ATOM 0 HA MET A 84 -0.478 -1.941 12.271 1.00 50.00 H new ATOM 0 HB2 MET A 84 0.937 -4.082 13.564 1.00 50.00 H new ATOM 0 HB3 MET A 84 0.416 -4.738 12.024 1.00 50.00 H new ATOM 0 HG2 MET A 84 2.513 -3.704 11.527 1.00 50.00 H new ATOM 0 HG3 MET A 84 1.328 -2.548 10.954 1.00 50.00 H new ATOM 0 HE1 MET A 84 4.439 -0.596 12.516 1.00 50.00 H new ATOM 0 HE2 MET A 84 4.478 -2.255 11.872 1.00 50.00 H new ATOM 0 HE3 MET A 84 3.557 -0.992 11.021 1.00 50.00 H new ATOM 1203 N GLN A 85 -2.710 -2.766 11.351 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.806 -3.296 10.490 1.00 16.66 C ATOM 1205 C GLN A 85 -4.633 -2.142 9.915 1.00 16.66 C ATOM 1206 O GLN A 85 -5.835 -2.241 9.769 1.00 16.66 O ATOM 1207 CB GLN A 85 -4.657 -4.156 11.424 1.00 16.66 C ATOM 1208 CG GLN A 85 -5.675 -4.949 10.603 1.00 16.66 C ATOM 1209 CD GLN A 85 -6.322 -6.019 11.487 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -7.157 -5.715 12.316 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -5.970 -7.267 11.344 1.00 16.66 N ATOM 0 H GLN A 85 -2.786 -1.778 11.592 1.00 16.66 H new ATOM 0 HA GLN A 85 -3.428 -3.866 9.641 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -4.020 -4.837 11.989 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -5.171 -3.525 12.149 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -6.438 -4.280 10.206 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -5.185 -5.416 9.749 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -5.269 -7.523 10.648 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -6.396 -7.987 11.928 1.00 16.66 H new ATOM 1220 N GLN A 86 -3.999 -1.048 9.588 1.00 16.66 N ATOM 1221 CA GLN A 86 -4.753 0.111 9.025 1.00 16.66 C ATOM 1222 C GLN A 86 -3.843 0.950 8.123 1.00 16.66 C ATOM 1223 O GLN A 86 -2.645 0.750 8.075 1.00 16.66 O ATOM 1224 CB GLN A 86 -5.198 0.923 10.241 1.00 16.66 C ATOM 1225 CG GLN A 86 -6.654 1.357 10.058 1.00 16.66 C ATOM 1226 CD GLN A 86 -7.534 0.122 9.855 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -7.730 -0.322 8.740 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -8.075 -0.457 10.892 1.00 50.00 N ATOM 0 H GLN A 86 -2.994 -0.906 9.686 1.00 16.66 H new ATOM 0 HA GLN A 86 -5.598 -0.206 8.414 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -5.096 0.326 11.147 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -4.559 1.798 10.362 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -6.990 1.916 10.931 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -6.741 2.023 9.200 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -7.911 -0.085 11.827 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -8.662 -1.282 10.767 1.00 50.00 H new ATOM 1237 N ILE A 87 -4.402 1.889 7.410 1.00 12.50 N ATOM 1238 CA ILE A 87 -3.569 2.741 6.512 1.00 12.50 C ATOM 1239 C ILE A 87 -3.321 4.107 7.159 1.00 12.50 C ATOM 1240 O ILE A 87 -4.228 4.739 7.663 1.00 12.50 O ATOM 1241 CB ILE A 87 -4.395 2.892 5.235 1.00 50.00 C ATOM 1242 CG1 ILE A 87 -4.713 1.507 4.666 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -3.599 3.696 4.205 1.00 50.00 C ATOM 1244 CD1 ILE A 87 -6.217 1.245 4.770 1.00 50.00 C ATOM 0 H ILE A 87 -5.399 2.104 7.410 1.00 12.50 H new ATOM 0 HA ILE A 87 -2.591 2.303 6.315 1.00 12.50 H new ATOM 0 HB ILE A 87 -5.325 3.413 5.463 1.00 50.00 H new ATOM 0 HG12 ILE A 87 -4.394 1.448 3.625 1.00 50.00 H new ATOM 0 HG13 ILE A 87 -4.161 0.742 5.213 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -4.188 3.804 3.294 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -3.372 4.682 4.610 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -2.669 3.175 3.977 1.00 50.00 H new ATOM 0 HD11 ILE A 87 -6.443 0.259 4.365 1.00 50.00 H new ATOM 0 HD12 ILE A 87 -6.522 1.286 5.816 1.00 50.00 H new ATOM 0 HD13 ILE A 87 -6.758 2.003 4.204 1.00 50.00 H new ATOM 1256 N LEU A 88 -2.099 4.566 7.150 1.00 12.50 N ATOM 1257 CA LEU A 88 -1.792 5.890 7.766 1.00 12.50 C ATOM 1258 C LEU A 88 -0.887 6.709 6.841 1.00 12.50 C ATOM 1259 O LEU A 88 0.032 6.188 6.239 1.00 12.50 O ATOM 1260 CB LEU A 88 -1.065 5.558 9.069 1.00 12.50 C ATOM 1261 CG LEU A 88 -2.045 5.646 10.241 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -2.018 4.334 11.028 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -1.638 6.801 11.159 1.00 12.50 C ATOM 0 H LEU A 88 -1.299 4.082 6.743 1.00 12.50 H new ATOM 0 HA LEU A 88 -2.690 6.484 7.937 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.638 4.557 9.014 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -0.237 6.250 9.222 1.00 12.50 H new ATOM 0 HG LEU A 88 -3.052 5.821 9.862 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -2.716 4.396 11.863 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -2.307 3.511 10.374 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -1.012 4.159 11.408 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.335 6.865 11.994 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -0.631 6.626 11.539 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -1.657 7.736 10.598 1.00 12.50 H new ATOM 1275 N SER A 89 -1.134 7.985 6.725 1.00 12.50 N ATOM 1276 CA SER A 89 -0.282 8.831 5.840 1.00 12.50 C ATOM 1277 C SER A 89 0.450 9.891 6.669 1.00 12.50 C ATOM 1278 O SER A 89 -0.153 10.623 7.427 1.00 12.50 O ATOM 1279 CB SER A 89 -1.257 9.493 4.866 1.00 12.50 C ATOM 1280 OG SER A 89 -2.461 9.814 5.547 1.00 12.50 O ATOM 0 H SER A 89 -1.888 8.478 7.204 1.00 12.50 H new ATOM 0 HA SER A 89 0.480 8.249 5.321 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.812 10.395 4.446 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.466 8.823 4.032 1.00 12.50 H new ATOM 0 HG SER A 89 -3.192 9.263 5.197 1.00 12.50 H new ATOM 1286 N ASP A 90 1.746 9.977 6.532 1.00 10.00 N ATOM 1287 CA ASP A 90 2.508 10.992 7.316 1.00 10.00 C ATOM 1288 C ASP A 90 1.902 12.380 7.103 1.00 10.00 C ATOM 1289 O ASP A 90 1.723 13.141 8.033 1.00 10.00 O ATOM 1290 CB ASP A 90 3.937 10.930 6.771 1.00 10.00 C ATOM 1291 CG ASP A 90 4.014 11.663 5.429 1.00 10.00 C ATOM 1292 OD1 ASP A 90 3.223 11.344 4.557 1.00 10.00 O ATOM 1293 OD2 ASP A 90 4.863 12.529 5.297 1.00 10.00 O ATOM 0 H ASP A 90 2.308 9.391 5.914 1.00 10.00 H new ATOM 0 HA ASP A 90 2.480 10.796 8.388 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.627 11.383 7.483 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.243 9.891 6.646 1.00 10.00 H new ATOM 1298 N GLU A 91 1.577 12.712 5.887 1.00 12.50 N ATOM 1299 CA GLU A 91 0.976 14.048 5.624 1.00 12.50 C ATOM 1300 C GLU A 91 -0.256 14.232 6.511 1.00 12.50 C ATOM 1301 O GLU A 91 -0.624 15.334 6.861 1.00 12.50 O ATOM 1302 CB GLU A 91 0.583 14.031 4.146 1.00 12.50 C ATOM 1303 CG GLU A 91 0.870 15.402 3.529 1.00 12.50 C ATOM 1304 CD GLU A 91 0.370 15.428 2.083 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.334 14.374 1.471 1.00 50.00 O ATOM 1306 OE2 GLU A 91 0.033 16.502 1.612 1.00 50.00 O ATOM 0 H GLU A 91 1.701 12.119 5.066 1.00 12.50 H new ATOM 0 HA GLU A 91 1.661 14.868 5.842 1.00 12.50 H new ATOM 0 HB2 GLU A 91 1.142 13.258 3.618 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.474 13.787 4.042 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.378 16.183 4.109 1.00 12.50 H new ATOM 0 HG3 GLU A 91 1.940 15.609 3.558 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.885 13.153 6.886 1.00 10.00 N ATOM 1314 CA GLU A 92 -2.086 13.256 7.762 1.00 10.00 C ATOM 1315 C GLU A 92 -1.661 13.631 9.183 1.00 10.00 C ATOM 1316 O GLU A 92 -2.270 14.464 9.827 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.714 11.860 7.741 1.00 50.00 C ATOM 1318 CG GLU A 92 -4.149 11.953 7.220 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.660 10.551 6.885 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -4.031 9.597 7.311 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -5.671 10.455 6.209 1.00 50.00 O ATOM 0 H GLU A 92 -0.619 12.204 6.624 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.785 14.020 7.422 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -2.128 11.196 7.106 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.707 11.431 8.743 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.790 12.416 7.970 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.185 12.587 6.334 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.617 13.022 9.677 1.00 10.00 N ATOM 1329 CA VAL A 93 -0.148 13.341 11.055 1.00 10.00 C ATOM 1330 C VAL A 93 0.673 14.638 11.049 1.00 10.00 C ATOM 1331 O VAL A 93 1.053 15.148 12.085 1.00 10.00 O ATOM 1332 CB VAL A 93 0.709 12.136 11.468 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.138 12.286 10.933 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.746 12.039 12.995 1.00 10.00 C ATOM 0 H VAL A 93 -0.068 12.317 9.185 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.970 13.504 11.752 1.00 10.00 H new ATOM 0 HB VAL A 93 0.269 11.231 11.049 1.00 10.00 H new ATOM 0 HG11 VAL A 93 2.732 11.423 11.235 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.115 12.348 9.845 1.00 10.00 H new ATOM 0 HG13 VAL A 93 2.585 13.194 11.338 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.354 11.184 13.291 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.178 12.951 13.407 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.267 11.913 13.376 1.00 10.00 H new ATOM 1344 N GLU A 94 0.950 15.172 9.890 1.00 12.50 N ATOM 1345 CA GLU A 94 1.745 16.431 9.816 1.00 12.50 C ATOM 1346 C GLU A 94 0.831 17.620 9.501 1.00 12.50 C ATOM 1347 O GLU A 94 0.893 18.649 10.144 1.00 12.50 O ATOM 1348 CB GLU A 94 2.741 16.208 8.677 1.00 12.50 C ATOM 1349 CG GLU A 94 3.858 15.276 9.149 1.00 12.50 C ATOM 1350 CD GLU A 94 4.579 14.689 7.935 1.00 12.50 C ATOM 1351 OE1 GLU A 94 3.940 14.541 6.905 1.00 12.50 O ATOM 1352 OE2 GLU A 94 5.757 14.396 8.054 1.00 12.50 O ATOM 0 H GLU A 94 0.659 14.790 8.990 1.00 12.50 H new ATOM 0 HA GLU A 94 2.245 16.655 10.758 1.00 12.50 H new ATOM 0 HB2 GLU A 94 2.233 15.776 7.815 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.160 17.161 8.355 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.563 15.824 9.774 1.00 12.50 H new ATOM 0 HG3 GLU A 94 3.444 14.475 9.762 1.00 12.50 H new ATOM 1359 N GLU A 95 -0.014 17.486 8.516 1.00 12.50 N ATOM 1360 CA GLU A 95 -0.930 18.610 8.163 1.00 12.50 C ATOM 1361 C GLU A 95 -2.156 18.595 9.077 1.00 12.50 C ATOM 1362 O GLU A 95 -2.656 19.628 9.476 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.337 18.351 6.712 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.453 19.179 5.778 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.318 19.800 4.679 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.003 20.767 4.968 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -1.279 19.297 3.568 1.00 50.00 O ATOM 0 H GLU A 95 -0.111 16.649 7.941 1.00 12.50 H new ATOM 0 HA GLU A 95 -0.456 19.584 8.283 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.237 17.291 6.479 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -2.385 18.613 6.565 1.00 25.00 H new ATOM 0 HG2 GLU A 95 0.057 19.961 6.340 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.319 18.549 5.336 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.641 17.433 9.415 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.831 17.354 10.307 1.00 25.00 C ATOM 1376 C LYS A 96 -3.413 16.840 11.687 1.00 25.00 C ATOM 1377 O LYS A 96 -4.094 17.046 12.671 1.00 25.00 O ATOM 1378 CB LYS A 96 -4.777 16.367 9.622 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.386 17.022 8.380 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.719 16.457 7.125 1.00 25.00 C ATOM 1381 CE LYS A 96 -5.390 15.136 6.740 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.110 15.430 5.467 1.00 25.00 N ATOM 0 H LYS A 96 -2.265 16.535 9.112 1.00 25.00 H new ATOM 0 HA LYS A 96 -4.305 18.324 10.459 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -4.236 15.463 9.341 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -5.566 16.065 10.311 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -6.460 16.837 8.348 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.249 18.103 8.422 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.800 17.171 6.305 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -3.656 16.298 7.306 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -4.654 14.344 6.604 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -6.079 14.802 7.516 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -6.597 14.572 5.137 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -6.808 16.184 5.629 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -5.428 15.740 4.746 1.00 25.00 H new ATOM 1396 N ASP A 97 -2.291 16.177 11.767 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.822 15.653 13.083 1.00 10.00 C ATOM 1398 C ASP A 97 -2.832 14.657 13.651 1.00 10.00 C ATOM 1399 O ASP A 97 -2.890 14.431 14.844 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.723 16.877 13.998 1.00 50.00 C ATOM 1401 CG ASP A 97 -1.139 18.061 13.223 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -0.108 17.882 12.594 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -1.731 19.126 13.272 1.00 50.00 O ATOM 0 H ASP A 97 -1.678 15.975 10.977 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.869 15.131 12.992 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -2.710 17.134 14.383 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.094 16.649 14.859 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.631 14.057 12.813 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.633 13.079 13.323 1.00 10.00 C ATOM 1410 C VAL A 98 -3.930 11.805 13.792 1.00 10.00 C ATOM 1411 O VAL A 98 -2.819 11.516 13.395 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.546 12.780 12.134 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.564 11.709 12.532 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.286 14.055 11.722 1.00 50.00 C ATOM 0 H VAL A 98 -3.634 14.200 11.803 1.00 10.00 H new ATOM 0 HA VAL A 98 -5.192 13.469 14.173 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.946 12.422 11.297 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -7.216 11.494 11.685 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -6.040 10.800 12.826 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -7.163 12.069 13.369 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.937 13.840 10.874 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.886 14.414 12.558 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.563 14.820 11.440 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.569 11.039 14.633 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.929 9.784 15.122 1.00 10.00 C ATOM 1426 C ARG A 99 -4.979 8.853 15.733 1.00 10.00 C ATOM 1427 O ARG A 99 -5.983 9.290 16.260 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.927 10.235 16.185 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.541 10.376 15.550 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.470 10.348 16.643 1.00 50.00 C ATOM 1431 NE ARG A 99 0.811 10.121 15.917 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.180 8.907 15.609 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.307 7.937 15.622 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.421 8.666 15.286 1.00 50.00 N ATOM 0 H ARG A 99 -5.502 11.226 15.001 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.446 9.229 14.317 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.240 11.186 16.616 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -2.894 9.512 17.000 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.371 9.567 14.840 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.480 11.309 14.990 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.448 11.285 17.199 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.662 9.554 17.364 1.00 50.00 H new ATOM 0 HE ARG A 99 1.400 10.914 15.661 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.663 8.127 15.873 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.595 6.989 15.381 1.00 50.00 H new ATOM 0 HH21 ARG A 99 3.102 9.426 15.274 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.710 7.718 15.045 1.00 50.00 H new ATOM 1448 N LEU A 100 -4.753 7.569 15.665 1.00 10.00 N ATOM 1449 CA LEU A 100 -5.735 6.607 16.241 1.00 10.00 C ATOM 1450 C LEU A 100 -5.758 6.723 17.767 1.00 10.00 C ATOM 1451 O LEU A 100 -4.742 6.605 18.424 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.232 5.229 15.812 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.197 4.155 16.316 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.415 3.110 15.220 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -5.604 3.479 17.554 1.00 10.00 C ATOM 0 H LEU A 100 -3.931 7.145 15.235 1.00 10.00 H new ATOM 0 HA LEU A 100 -6.752 6.796 15.896 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.152 5.181 14.726 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -4.234 5.053 16.213 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.151 4.615 16.574 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -7.103 2.344 15.579 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.836 3.591 14.337 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.462 2.649 14.962 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -6.291 2.713 17.914 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -4.650 3.019 17.296 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -5.448 4.223 18.335 1.00 10.00 H new ATOM 1467 N THR A 101 -6.910 6.957 18.335 1.00 10.00 N ATOM 1468 CA THR A 101 -6.996 7.084 19.818 1.00 10.00 C ATOM 1469 C THR A 101 -8.045 6.119 20.378 1.00 10.00 C ATOM 1470 O THR A 101 -8.142 5.918 21.572 1.00 10.00 O ATOM 1471 CB THR A 101 -7.418 8.533 20.066 1.00 10.00 C ATOM 1472 OG1 THR A 101 -7.284 8.833 21.449 1.00 10.00 O ATOM 1473 CG2 THR A 101 -8.874 8.720 19.640 1.00 10.00 C ATOM 0 H THR A 101 -7.794 7.066 17.837 1.00 10.00 H new ATOM 0 HA THR A 101 -6.052 6.841 20.306 1.00 10.00 H new ATOM 0 HB THR A 101 -6.783 9.203 19.486 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.553 9.762 21.610 1.00 10.00 H new ATOM 0 HG21 THR A 101 -9.175 9.753 19.817 1.00 10.00 H new ATOM 0 HG22 THR A 101 -8.975 8.489 18.580 1.00 10.00 H new ATOM 0 HG23 THR A 101 -9.511 8.052 20.220 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.833 5.522 19.526 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.875 4.572 20.015 1.00 10.00 C ATOM 1483 C CYS A 102 -9.229 3.248 20.434 1.00 10.00 C ATOM 1484 O CYS A 102 -9.360 2.812 21.561 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.811 4.361 18.826 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.545 5.946 18.350 1.00 10.00 S ATOM 0 H CYS A 102 -8.801 5.650 18.515 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.406 4.955 20.886 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.261 3.936 17.987 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.594 3.649 19.087 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.534 2.606 19.536 1.00 10.00 N ATOM 1492 CA ILE A 103 -7.883 1.310 19.886 1.00 10.00 C ATOM 1493 C ILE A 103 -6.364 1.419 19.726 1.00 10.00 C ATOM 1494 O ILE A 103 -5.757 0.700 18.958 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.454 0.298 18.893 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -9.980 0.411 18.868 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -8.056 -1.117 19.316 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.452 0.600 17.425 1.00 50.00 C ATOM 0 H ILE A 103 -8.388 2.921 18.577 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.073 1.020 20.919 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.057 0.505 17.899 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.429 -0.486 19.295 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.303 1.252 19.481 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.464 -1.837 18.607 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.969 -1.200 19.332 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.451 -1.324 20.311 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -11.539 0.681 17.405 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -10.013 1.510 17.015 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.141 -0.255 16.825 1.00 50.00 H new ATOM 1510 N GLY A 104 -5.744 2.315 20.445 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.267 2.468 20.333 1.00 10.00 C ATOM 1512 C GLY A 104 -3.691 2.874 21.690 1.00 10.00 C ATOM 1513 O GLY A 104 -4.393 3.357 22.555 1.00 10.00 O ATOM 0 H GLY A 104 -6.197 2.947 21.105 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -3.818 1.532 20.001 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.025 3.221 19.583 1.00 10.00 H new ATOM 1517 N SER A 105 -2.415 2.681 21.883 1.00 10.00 N ATOM 1518 CA SER A 105 -1.793 3.056 23.187 1.00 10.00 C ATOM 1519 C SER A 105 -0.668 4.070 22.962 1.00 10.00 C ATOM 1520 O SER A 105 -0.110 4.152 21.886 1.00 10.00 O ATOM 1521 CB SER A 105 -1.232 1.750 23.747 1.00 10.00 C ATOM 1522 OG SER A 105 -1.995 1.354 24.878 1.00 10.00 O ATOM 0 H SER A 105 -1.776 2.281 21.196 1.00 10.00 H new ATOM 0 HA SER A 105 -2.507 3.518 23.868 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.262 0.972 22.984 1.00 10.00 H new ATOM 0 HB3 SER A 105 -0.187 1.881 24.028 1.00 10.00 H new ATOM 0 HG SER A 105 -1.863 0.397 25.043 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.370 4.810 23.996 1.00 10.00 N ATOM 1529 CA PRO A 106 0.704 5.832 23.919 1.00 10.00 C ATOM 1530 C PRO A 106 2.078 5.157 23.875 1.00 10.00 C ATOM 1531 O PRO A 106 2.296 4.134 24.493 1.00 10.00 O ATOM 1532 CB PRO A 106 0.528 6.630 25.208 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.155 5.693 26.153 1.00 10.00 C ATOM 1534 CD PRO A 106 -0.999 4.764 25.320 1.00 10.00 C ATOM 0 HA PRO A 106 0.644 6.455 23.027 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.489 6.958 25.603 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.070 7.526 25.039 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.576 5.132 26.735 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.773 6.243 26.862 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.001 3.753 25.727 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.037 5.094 25.281 1.00 10.00 H new ATOM 1542 N ALA A 107 3.008 5.718 23.147 1.00 10.00 N ATOM 1543 CA ALA A 107 4.362 5.097 23.069 1.00 10.00 C ATOM 1544 C ALA A 107 5.411 6.009 23.711 1.00 10.00 C ATOM 1545 O ALA A 107 6.422 5.552 24.208 1.00 10.00 O ATOM 1546 CB ALA A 107 4.636 4.936 21.573 1.00 50.00 C ATOM 0 H ALA A 107 2.889 6.575 22.606 1.00 10.00 H new ATOM 0 HA ALA A 107 4.408 4.146 23.600 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.617 4.484 21.429 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.873 4.296 21.130 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.613 5.914 21.092 1.00 50.00 H new ATOM 1552 N ALA A 108 5.185 7.293 23.703 1.00 10.00 N ATOM 1553 CA ALA A 108 6.175 8.229 24.312 1.00 10.00 C ATOM 1554 C ALA A 108 5.714 8.659 25.707 1.00 10.00 C ATOM 1555 O ALA A 108 4.534 8.732 25.987 1.00 10.00 O ATOM 1556 CB ALA A 108 6.217 9.430 23.368 1.00 50.00 C ATOM 0 H ALA A 108 4.359 7.736 23.302 1.00 10.00 H new ATOM 0 HA ALA A 108 7.156 7.769 24.432 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.925 10.167 23.748 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.530 9.103 22.377 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.226 9.879 23.306 1.00 50.00 H new ATOM 1562 N ASP A 109 6.637 8.942 26.584 1.00 50.00 N ATOM 1563 CA ASP A 109 6.252 9.368 27.959 1.00 50.00 C ATOM 1564 C ASP A 109 5.173 10.453 27.889 1.00 50.00 C ATOM 1565 O ASP A 109 4.001 10.189 28.068 1.00 50.00 O ATOM 1566 CB ASP A 109 7.535 9.926 28.575 1.00 50.00 C ATOM 1567 CG ASP A 109 8.470 8.770 28.939 1.00 50.00 C ATOM 1568 OD1 ASP A 109 8.055 7.918 29.708 1.00 50.00 O ATOM 1569 OD2 ASP A 109 9.584 8.757 28.442 1.00 50.00 O ATOM 0 H ASP A 109 7.641 8.897 26.408 1.00 50.00 H new ATOM 0 HA ASP A 109 5.842 8.548 28.548 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.027 10.598 27.872 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.300 10.511 29.464 1.00 50.00 H new ATOM 1574 N GLU A 110 5.561 11.670 27.627 1.00 10.00 N ATOM 1575 CA GLU A 110 4.559 12.771 27.542 1.00 10.00 C ATOM 1576 C GLU A 110 4.198 13.044 26.079 1.00 10.00 C ATOM 1577 O GLU A 110 5.048 13.354 25.268 1.00 10.00 O ATOM 1578 CB GLU A 110 5.252 13.984 28.161 1.00 10.00 C ATOM 1579 CG GLU A 110 4.675 14.248 29.554 1.00 10.00 C ATOM 1580 CD GLU A 110 5.200 13.194 30.531 1.00 50.00 C ATOM 1581 OE1 GLU A 110 6.406 13.018 30.591 1.00 50.00 O ATOM 1582 OE2 GLU A 110 4.386 12.581 31.203 1.00 50.00 O ATOM 0 H GLU A 110 6.529 11.951 27.468 1.00 10.00 H new ATOM 0 HA GLU A 110 3.630 12.527 28.057 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.326 13.807 28.228 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.112 14.859 27.526 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.956 15.245 29.893 1.00 10.00 H new ATOM 0 HG3 GLU A 110 3.586 14.218 29.520 1.00 10.00 H new ATOM 1589 N VAL A 111 2.945 12.930 25.735 1.00 10.00 N ATOM 1590 CA VAL A 111 2.534 13.183 24.324 1.00 10.00 C ATOM 1591 C VAL A 111 1.523 14.333 24.266 1.00 10.00 C ATOM 1592 O VAL A 111 0.717 14.509 25.160 1.00 10.00 O ATOM 1593 CB VAL A 111 1.888 11.879 23.857 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.532 11.990 22.374 1.00 12.50 C ATOM 1595 CG2 VAL A 111 2.868 10.720 24.060 1.00 12.50 C ATOM 0 H VAL A 111 2.188 12.673 26.369 1.00 10.00 H new ATOM 0 HA VAL A 111 3.377 13.468 23.694 1.00 10.00 H new ATOM 0 HB VAL A 111 0.983 11.695 24.437 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.071 11.060 22.040 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.834 12.814 22.228 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.437 12.175 21.795 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.406 9.791 23.727 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.773 10.903 23.481 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.123 10.640 25.117 1.00 12.50 H new ATOM 1605 N LYS A 112 1.557 15.114 23.223 1.00 10.00 N ATOM 1606 CA LYS A 112 0.595 16.247 23.110 1.00 10.00 C ATOM 1607 C LYS A 112 -0.384 16.000 21.959 1.00 10.00 C ATOM 1608 O LYS A 112 -0.003 15.578 20.885 1.00 10.00 O ATOM 1609 CB LYS A 112 1.462 17.476 22.828 1.00 25.00 C ATOM 1610 CG LYS A 112 2.609 17.533 23.840 1.00 25.00 C ATOM 1611 CD LYS A 112 2.793 18.973 24.324 1.00 25.00 C ATOM 1612 CE LYS A 112 4.283 19.257 24.523 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.350 20.107 25.745 1.00 25.00 N ATOM 0 H LYS A 112 2.208 15.018 22.444 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.005 16.371 24.012 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.859 17.429 21.814 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.860 18.382 22.893 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.395 16.879 24.685 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.530 17.172 23.382 1.00 25.00 H new ATOM 0 HD2 LYS A 112 2.373 19.669 23.598 1.00 25.00 H new ATOM 0 HD3 LYS A 112 2.255 19.125 25.259 1.00 25.00 H new ATOM 0 HE2 LYS A 112 4.848 18.334 24.652 1.00 25.00 H new ATOM 0 HE3 LYS A 112 4.706 19.771 23.660 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 5.342 20.345 25.948 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 3.809 20.981 25.590 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.946 19.589 26.551 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.643 16.261 22.177 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.654 16.045 21.104 1.00 10.00 C ATOM 1629 C ILE A 113 -3.917 16.855 21.400 1.00 10.00 C ATOM 1630 O ILE A 113 -4.228 17.147 22.538 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.959 14.547 21.139 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.047 14.223 20.112 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.448 14.158 22.537 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.564 13.099 19.194 1.00 10.00 C ATOM 0 H ILE A 113 -2.017 16.616 23.057 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.292 16.363 20.126 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.055 13.987 20.900 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -4.964 13.923 20.620 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.283 15.110 19.525 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.666 13.090 22.562 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -2.675 14.388 23.270 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.352 14.718 22.775 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.339 12.868 18.463 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.659 13.416 18.676 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.350 12.211 19.788 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.648 17.219 20.384 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.892 18.004 20.605 1.00 10.00 C ATOM 1648 C VAL A 114 -7.110 17.118 20.310 1.00 10.00 C ATOM 1649 O VAL A 114 -7.073 16.272 19.439 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.776 19.192 19.627 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.018 19.302 18.736 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -5.617 20.486 20.428 1.00 50.00 C ATOM 0 H VAL A 114 -4.437 17.006 19.409 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.016 18.356 21.629 1.00 10.00 H new ATOM 0 HB VAL A 114 -4.908 19.028 18.988 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.906 20.148 18.058 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -7.132 18.386 18.157 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.900 19.450 19.359 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -5.534 21.330 19.743 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -6.486 20.625 21.072 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.717 20.426 21.041 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.184 17.299 21.028 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.385 16.455 20.779 1.00 10.00 C ATOM 1664 C TYR A 115 -10.492 17.283 20.109 1.00 10.00 C ATOM 1665 O TYR A 115 -10.325 18.462 19.843 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.794 15.933 22.172 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.962 16.712 22.739 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.759 17.983 23.292 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.247 16.155 22.720 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.841 18.696 23.823 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.328 16.869 23.252 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.125 18.139 23.803 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.190 18.841 24.328 1.00 50.00 O ATOM 0 H TYR A 115 -8.281 17.990 21.772 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.192 15.628 20.096 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -10.059 14.878 22.102 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.945 16.004 22.851 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.768 18.413 23.309 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.404 15.175 22.295 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.685 19.676 24.248 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.319 16.439 23.237 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.869 19.682 24.715 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.610 16.660 19.826 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.750 17.370 19.160 1.00 10.00 C ATOM 1685 C ASN A 116 -12.467 17.547 17.665 1.00 10.00 C ATOM 1686 O ASN A 116 -13.045 18.398 17.021 1.00 10.00 O ATOM 1687 CB ASN A 116 -12.866 18.736 19.844 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.294 18.930 20.353 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -14.772 18.162 21.165 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.003 19.931 19.908 1.00 10.00 N ATOM 0 H ASN A 116 -11.784 15.676 20.031 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.676 16.802 19.251 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.161 18.801 20.673 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.607 19.529 19.143 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.957 20.068 20.242 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.603 20.576 19.227 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.591 16.748 17.109 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.277 16.874 15.652 1.00 10.00 C ATOM 1699 C ALA A 117 -12.543 17.183 14.847 1.00 10.00 C ATOM 1700 O ALA A 117 -12.489 17.794 13.799 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.711 15.514 15.252 1.00 50.00 C ATOM 0 H ALA A 117 -11.080 16.014 17.600 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.578 17.687 15.456 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -10.455 15.524 14.193 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.817 15.305 15.840 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -11.457 14.741 15.438 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.682 16.769 15.328 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.946 17.043 14.587 1.00 12.50 C ATOM 1709 C LYS A 118 -14.964 18.490 14.079 1.00 12.50 C ATOM 1710 O LYS A 118 -15.634 18.807 13.117 1.00 12.50 O ATOM 1711 CB LYS A 118 -16.065 16.812 15.605 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.914 17.794 16.770 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.280 18.389 17.116 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.609 18.088 18.579 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.690 19.053 18.936 1.00 50.00 N ATOM 0 H LYS A 118 -13.793 16.253 16.201 1.00 12.50 H new ATOM 0 HA LYS A 118 -15.057 16.402 13.712 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -17.036 16.945 15.128 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -16.028 15.787 15.974 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.497 17.283 17.638 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.217 18.588 16.502 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.273 19.466 16.947 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -18.047 17.969 16.465 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.942 17.058 18.705 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -16.735 18.221 19.216 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -18.900 18.979 19.952 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.233 19.369 14.712 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.215 20.785 14.256 1.00 50.00 C ATOM 1728 C HIS A 119 -13.620 20.878 12.849 1.00 50.00 C ATOM 1729 O HIS A 119 -13.900 21.796 12.104 1.00 50.00 O ATOM 1730 CB HIS A 119 -13.325 21.513 15.265 1.00 50.00 C ATOM 1731 CG HIS A 119 -11.979 20.840 15.334 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -11.107 20.819 14.256 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -11.337 20.172 16.349 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -10.000 20.159 14.643 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -10.087 19.744 15.910 1.00 50.00 N ATOM 0 H HIS A 119 -13.649 19.166 15.523 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.214 21.218 14.207 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.206 22.556 14.973 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -13.795 21.509 16.248 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -11.741 20.005 17.337 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -9.145 19.986 14.007 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -9.388 19.225 16.441 1.00 50.00 H new ATOM 1743 N LEU A 120 -12.796 19.935 12.479 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.181 19.973 11.121 1.00 12.50 C ATOM 1745 C LEU A 120 -13.250 20.257 10.062 1.00 12.50 C ATOM 1746 O LEU A 120 -13.980 19.377 9.649 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.580 18.582 10.921 1.00 12.50 C ATOM 1748 CG LEU A 120 -10.107 18.600 11.334 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.682 17.197 11.770 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.250 19.048 10.149 1.00 12.50 C ATOM 0 H LEU A 120 -12.522 19.141 13.058 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.430 20.758 11.029 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -12.126 17.849 11.515 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.673 18.280 9.878 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.971 19.294 12.163 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.633 17.210 12.064 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -10.292 16.878 12.615 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.818 16.502 10.942 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.201 19.061 10.443 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.386 18.355 9.319 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.552 20.048 9.839 1.00 12.50 H new ATOM 1762 N ASP A 121 -13.349 21.480 9.618 1.00 50.00 N ATOM 1763 CA ASP A 121 -14.371 21.820 8.586 1.00 50.00 C ATOM 1764 C ASP A 121 -14.144 20.981 7.325 1.00 50.00 C ATOM 1765 O ASP A 121 -15.001 20.885 6.469 1.00 50.00 O ATOM 1766 CB ASP A 121 -14.157 23.305 8.289 1.00 50.00 C ATOM 1767 CG ASP A 121 -12.749 23.515 7.728 1.00 50.00 C ATOM 1768 OD1 ASP A 121 -11.803 23.367 8.486 1.00 50.00 O ATOM 1769 OD2 ASP A 121 -12.640 23.820 6.552 1.00 50.00 O ATOM 0 H ASP A 121 -12.767 22.259 9.925 1.00 50.00 H new ATOM 0 HA ASP A 121 -15.386 21.616 8.926 1.00 50.00 H new ATOM 0 HB2 ASP A 121 -14.901 23.655 7.573 1.00 50.00 H new ATOM 0 HB3 ASP A 121 -14.289 23.891 9.198 1.00 50.00 H new ATOM 1774 N TYR A 122 -12.996 20.374 7.205 1.00 16.66 N ATOM 1775 CA TYR A 122 -12.715 19.540 6.000 1.00 16.66 C ATOM 1776 C TYR A 122 -13.392 18.174 6.134 1.00 16.66 C ATOM 1777 O TYR A 122 -13.496 17.426 5.183 1.00 16.66 O ATOM 1778 CB TYR A 122 -11.193 19.389 5.972 1.00 16.66 C ATOM 1779 CG TYR A 122 -10.812 18.264 5.038 1.00 16.66 C ATOM 1780 CD1 TYR A 122 -10.734 16.952 5.520 1.00 16.66 C ATOM 1781 CD2 TYR A 122 -10.533 18.534 3.693 1.00 16.66 C ATOM 1782 CE1 TYR A 122 -10.377 15.909 4.657 1.00 16.66 C ATOM 1783 CE2 TYR A 122 -10.176 17.491 2.829 1.00 16.66 C ATOM 1784 CZ TYR A 122 -10.098 16.178 3.311 1.00 16.66 C ATOM 1785 OH TYR A 122 -9.747 15.151 2.460 1.00 16.66 O ATOM 0 H TYR A 122 -12.240 20.419 7.888 1.00 16.66 H new ATOM 0 HA TYR A 122 -13.096 19.992 5.084 1.00 16.66 H new ATOM 0 HB2 TYR A 122 -10.731 20.320 5.643 1.00 16.66 H new ATOM 0 HB3 TYR A 122 -10.819 19.184 6.975 1.00 16.66 H new ATOM 0 HD1 TYR A 122 -10.949 16.744 6.558 1.00 16.66 H new ATOM 0 HD2 TYR A 122 -10.593 19.546 3.322 1.00 16.66 H new ATOM 0 HE1 TYR A 122 -10.317 14.897 5.029 1.00 16.66 H new ATOM 0 HE2 TYR A 122 -9.961 17.699 1.791 1.00 16.66 H new ATOM 0 HH TYR A 122 -9.588 15.510 1.562 1.00 16.66 H new ATOM 1795 N LEU A 123 -13.853 17.842 7.309 1.00 50.00 N ATOM 1796 CA LEU A 123 -14.522 16.522 7.503 1.00 50.00 C ATOM 1797 C LEU A 123 -15.913 16.715 8.116 1.00 50.00 C ATOM 1798 O LEU A 123 -16.710 15.800 8.166 1.00 50.00 O ATOM 1799 CB LEU A 123 -13.615 15.760 8.467 1.00 50.00 C ATOM 1800 CG LEU A 123 -12.678 14.847 7.673 1.00 50.00 C ATOM 1801 CD1 LEU A 123 -11.324 14.767 8.383 1.00 50.00 C ATOM 1802 CD2 LEU A 123 -13.288 13.447 7.577 1.00 50.00 C ATOM 0 H LEU A 123 -13.796 18.426 8.143 1.00 50.00 H new ATOM 0 HA LEU A 123 -14.662 15.988 6.563 1.00 50.00 H new ATOM 0 HB2 LEU A 123 -13.035 16.461 9.068 1.00 50.00 H new ATOM 0 HB3 LEU A 123 -14.216 15.169 9.158 1.00 50.00 H new ATOM 0 HG LEU A 123 -12.540 15.251 6.670 1.00 50.00 H new ATOM 0 HD11 LEU A 123 -10.655 14.117 7.819 1.00 50.00 H new ATOM 0 HD12 LEU A 123 -10.889 15.764 8.451 1.00 50.00 H new ATOM 0 HD13 LEU A 123 -11.462 14.363 9.386 1.00 50.00 H new ATOM 0 HD21 LEU A 123 -12.620 12.797 7.011 1.00 50.00 H new ATOM 0 HD22 LEU A 123 -13.427 13.041 8.579 1.00 50.00 H new ATOM 0 HD23 LEU A 123 -14.252 13.504 7.072 1.00 50.00 H new ATOM 1814 N GLN A 124 -16.209 17.896 8.586 1.00 50.00 N ATOM 1815 CA GLN A 124 -17.546 18.140 9.196 1.00 50.00 C ATOM 1816 C GLN A 124 -18.646 17.549 8.313 1.00 50.00 C ATOM 1817 O GLN A 124 -19.679 17.125 8.791 1.00 50.00 O ATOM 1818 CB GLN A 124 -17.677 19.662 9.273 1.00 50.00 C ATOM 1819 CG GLN A 124 -18.688 20.031 10.361 1.00 50.00 C ATOM 1820 CD GLN A 124 -18.271 21.348 11.018 1.00 50.00 C ATOM 1821 OE1 GLN A 124 -17.311 21.969 10.606 1.00 50.00 O ATOM 1822 NE2 GLN A 124 -18.958 21.804 12.030 1.00 50.00 N ATOM 0 H GLN A 124 -15.583 18.701 8.574 1.00 50.00 H new ATOM 0 HA GLN A 124 -17.643 17.674 10.177 1.00 50.00 H new ATOM 0 HB2 GLN A 124 -16.708 20.111 9.494 1.00 50.00 H new ATOM 0 HB3 GLN A 124 -18.000 20.059 8.311 1.00 50.00 H new ATOM 0 HG2 GLN A 124 -19.684 20.127 9.929 1.00 50.00 H new ATOM 0 HG3 GLN A 124 -18.739 19.239 11.109 1.00 50.00 H new ATOM 0 HE21 GLN A 124 -19.764 21.283 12.376 1.00 50.00 H new ATOM 0 HE22 GLN A 124 -18.689 22.682 12.475 1.00 50.00 H new ATOM 1831 N ASN A 125 -18.432 17.516 7.027 1.00 50.00 N ATOM 1832 CA ASN A 125 -19.465 16.950 6.116 1.00 50.00 C ATOM 1833 C ASN A 125 -19.989 15.627 6.677 1.00 50.00 C ATOM 1834 O ASN A 125 -21.096 15.214 6.392 1.00 50.00 O ATOM 1835 CB ASN A 125 -18.741 16.720 4.788 1.00 50.00 C ATOM 1836 CG ASN A 125 -17.735 15.579 4.948 1.00 50.00 C ATOM 1837 OD1 ASN A 125 -16.594 15.806 5.300 1.00 50.00 O ATOM 1838 ND2 ASN A 125 -18.110 14.353 4.702 1.00 50.00 N ATOM 0 H ASN A 125 -17.587 17.856 6.568 1.00 50.00 H new ATOM 0 HA ASN A 125 -20.324 17.612 6.001 1.00 50.00 H new ATOM 0 HB2 ASN A 125 -19.461 16.478 4.006 1.00 50.00 H new ATOM 0 HB3 ASN A 125 -18.228 17.631 4.478 1.00 50.00 H new ATOM 0 HD21 ASN A 125 -17.446 13.586 4.805 1.00 50.00 H new ATOM 0 HD22 ASN A 125 -19.067 14.162 4.407 1.00 50.00 H new ATOM 1845 N ARG A 126 -19.202 14.959 7.475 1.00 50.00 N ATOM 1846 CA ARG A 126 -19.655 13.662 8.055 1.00 50.00 C ATOM 1847 C ARG A 126 -20.834 13.892 9.004 1.00 50.00 C ATOM 1848 O ARG A 126 -21.643 13.012 9.229 1.00 50.00 O ATOM 1849 CB ARG A 126 -18.444 13.128 8.821 1.00 50.00 C ATOM 1850 CG ARG A 126 -18.459 11.597 8.794 1.00 50.00 C ATOM 1851 CD ARG A 126 -17.254 11.087 8.002 1.00 50.00 C ATOM 1852 NE ARG A 126 -16.322 10.550 9.033 1.00 50.00 N ATOM 1853 CZ ARG A 126 -15.218 9.955 8.670 1.00 50.00 C ATOM 1854 NH1 ARG A 126 -15.255 8.999 7.782 1.00 50.00 N ATOM 1855 NH2 ARG A 126 -14.080 10.316 9.195 1.00 50.00 N ATOM 0 H ARG A 126 -18.265 15.255 7.751 1.00 50.00 H new ATOM 0 HA ARG A 126 -19.995 12.962 7.291 1.00 50.00 H new ATOM 0 HB2 ARG A 126 -17.523 13.501 8.373 1.00 50.00 H new ATOM 0 HB3 ARG A 126 -18.465 13.485 9.851 1.00 50.00 H new ATOM 0 HG2 ARG A 126 -18.431 11.205 9.811 1.00 50.00 H new ATOM 0 HG3 ARG A 126 -19.383 11.240 8.340 1.00 50.00 H new ATOM 0 HD2 ARG A 126 -17.546 10.314 7.291 1.00 50.00 H new ATOM 0 HD3 ARG A 126 -16.790 11.889 7.428 1.00 50.00 H new ATOM 0 HE ARG A 126 -16.547 10.647 10.023 1.00 50.00 H new ATOM 0 HH11 ARG A 126 -16.146 8.718 7.372 1.00 50.00 H new ATOM 0 HH12 ARG A 126 -14.393 8.533 7.498 1.00 50.00 H new ATOM 0 HH21 ARG A 126 -14.053 11.063 9.889 1.00 50.00 H new ATOM 0 HH22 ARG A 126 -13.217 9.851 8.912 1.00 50.00 H new ATOM 1869 N VAL A 127 -20.942 15.067 9.560 1.00 50.00 N ATOM 1870 CA VAL A 127 -22.071 15.351 10.492 1.00 50.00 C ATOM 1871 C VAL A 127 -23.346 15.657 9.700 1.00 50.00 C ATOM 1872 O VAL A 127 -23.449 16.674 9.042 1.00 50.00 O ATOM 1873 CB VAL A 127 -21.629 16.576 11.292 1.00 50.00 C ATOM 1874 CG1 VAL A 127 -22.804 17.089 12.128 1.00 50.00 C ATOM 1875 CG2 VAL A 127 -20.474 16.191 12.220 1.00 50.00 C ATOM 0 H VAL A 127 -20.298 15.843 9.410 1.00 50.00 H new ATOM 0 HA VAL A 127 -22.295 14.503 11.139 1.00 50.00 H new ATOM 0 HB VAL A 127 -21.300 17.358 10.607 1.00 50.00 H new ATOM 0 HG11 VAL A 127 -22.490 17.963 12.699 1.00 50.00 H new ATOM 0 HG12 VAL A 127 -23.627 17.363 11.469 1.00 50.00 H new ATOM 0 HG13 VAL A 127 -23.132 16.307 12.813 1.00 50.00 H new ATOM 0 HG21 VAL A 127 -20.159 17.065 12.790 1.00 50.00 H new ATOM 0 HG22 VAL A 127 -20.803 15.410 12.905 1.00 50.00 H new ATOM 0 HG23 VAL A 127 -19.637 15.824 11.626 1.00 50.00 H new ATOM 1885 N ILE A 128 -24.319 14.788 9.762 1.00 50.00 N ATOM 1886 CA ILE A 128 -25.587 15.033 9.015 1.00 50.00 C ATOM 1887 C ILE A 128 -26.791 14.818 9.936 1.00 50.00 C ATOM 1888 O ILE A 128 -26.865 13.763 10.543 1.00 50.00 O ATOM 1889 CB ILE A 128 -25.590 14.006 7.881 1.00 50.00 C ATOM 1890 CG1 ILE A 128 -26.823 14.222 7.000 1.00 50.00 C ATOM 1891 CG2 ILE A 128 -25.626 12.595 8.470 1.00 50.00 C ATOM 1892 CD1 ILE A 128 -26.519 15.290 5.948 1.00 50.00 C ATOM 1893 OXT ILE A 128 -27.617 15.712 10.016 1.00 50.00 O ATOM 0 H ILE A 128 -24.291 13.920 10.297 1.00 50.00 H new ATOM 0 HA ILE A 128 -25.651 16.054 8.637 1.00 50.00 H new ATOM 0 HB ILE A 128 -24.688 14.126 7.281 1.00 50.00 H new ATOM 0 HG12 ILE A 128 -27.104 13.288 6.514 1.00 50.00 H new ATOM 0 HG13 ILE A 128 -27.671 14.530 7.612 1.00 50.00 H new ATOM 0 HG21 ILE A 128 -25.628 11.863 7.662 1.00 50.00 H new ATOM 0 HG22 ILE A 128 -24.748 12.440 9.097 1.00 50.00 H new ATOM 0 HG23 ILE A 128 -26.527 12.474 9.071 1.00 50.00 H new ATOM 0 HD11 ILE A 128 -27.397 15.443 5.321 1.00 50.00 H new ATOM 0 HD12 ILE A 128 -26.259 16.225 6.444 1.00 50.00 H new ATOM 0 HD13 ILE A 128 -25.684 14.963 5.329 1.00 50.00 H new TER 1905 ILE A 128 HETATM 1906 C ACE A 129 -19.793 18.405 19.196 1.00 0.00 C HETATM 1907 O ACE A 129 -20.094 17.400 18.583 1.00 0.00 O HETATM 1908 CH3 ACE A 129 -20.696 18.962 20.299 1.00 0.00 C HETATM 0 H1 ACE A 129 -20.149 18.982 21.241 1.00 0.00 H new HETATM 0 H2 ACE A 129 -21.007 19.973 20.038 1.00 0.00 H new HETATM 0 H3 ACE A 129 -21.576 18.327 20.404 1.00 0.00 H new HETATM 1912 FE1 FES A 130 -11.125 5.054 14.181 1.00 0.00 FE HETATM 1913 FE2 FES A 130 -10.789 6.535 16.370 1.00 0.00 FE HETATM 1914 S1 FES A 130 -9.378 4.963 15.596 1.00 0.00 S HETATM 1915 S2 FES A 130 -12.500 6.676 14.916 1.00 0.00 S