USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= -1.36 USER MOD Set 1.2: A 176 THR OG1 : rot 40:sc= 0.279 USER MOD Set 2.1: A 121 SER OG : rot 120:sc= 0.323 USER MOD Set 2.2: A 151 SER OG : rot 141:sc= 0.911 USER MOD Set 2.3: A 156 TYR OH : rot 180:sc= 0.0694 USER MOD Set 3.1: A 60 HIS :FLIP no HE2:sc= 0.452 F(o=-1.5,f=-0.12) USER MOD Set 3.2: A 80 HIS : no HD1:sc= -0.574! C(o=-0.12!,f=-9.7!) USER MOD Set 3.3: A 83 THR OG1 : rot 102:sc= 0.859 USER MOD Set 3.4: A 96 HIS : no HE2:sc= -0.86! C(o=-0.12!,f=-10!) USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.368 USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.527 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 1.42 (180deg=0.629) USER MOD Single : A 24 SER OG : rot 84:sc= 0.377 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 28 GLN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : A 29 SER OG : rot 41:sc= 0.379 USER MOD Single : A 43 SER OG : rot 86:sc= 0.118 USER MOD Single : A 44 TYR OH : rot 120:sc= -0.043 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.459 USER MOD Single : A 65 SER OG : rot 39:sc= 0.222 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 71 SER OG : rot -116:sc= 0.209 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 78 TYR OH : rot 34:sc= 0.0141 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -44:sc= 0.419 USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= -0.169 (180deg=-0.186) USER MOD Single : A 116 THR OG1 : rot -101:sc= 0.381 USER MOD Single : A 117 THR OG1 : rot 90:sc= 0.184 USER MOD Single : A 119 GLN : amide:sc= -0.0245 X(o=-0.024,f=-0.43) USER MOD Single : A 120 GLN : amide:sc= -3.36! X(o=-3.4!,f=-3.2) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl -158:sc= -0.389 (180deg=-1) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.9!) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 154 CYS SG : rot -104:sc= -3.04! USER MOD Single : A 157 SER OG : rot 77:sc= 0.904 USER MOD Single : A 159 THR OG1 : rot -22:sc= 0.185 USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 CYS SG : rot -63:sc= -0.897 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= -0.435 K(o=-0.43,f=-3) USER MOD Single : A 173 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 -13.346 1.050 -14.640 1.00 71.21 N ATOM 60 CA THR A 5 -12.685 -0.233 -14.330 1.00 10.20 C ATOM 61 C THR A 5 -11.751 -0.684 -15.482 1.00 5.20 C ATOM 62 O THR A 5 -10.738 -1.355 -15.240 1.00 42.35 O ATOM 63 CB THR A 5 -13.743 -1.342 -14.014 1.00 11.52 C ATOM 64 OG1 THR A 5 -14.763 -0.806 -13.162 1.00 70.12 O ATOM 65 CG2 THR A 5 -13.117 -2.567 -13.313 1.00 21.12 C ATOM 0 HA THR A 5 -12.070 -0.079 -13.443 1.00 10.20 H new ATOM 0 HB THR A 5 -14.159 -1.668 -14.967 1.00 11.52 H new ATOM 0 HG1 THR A 5 -14.894 0.144 -13.366 1.00 70.12 H new ATOM 0 HG21 THR A 5 -13.891 -3.308 -13.115 1.00 21.12 H new ATOM 0 HG22 THR A 5 -12.353 -3.003 -13.956 1.00 21.12 H new ATOM 0 HG23 THR A 5 -12.664 -2.255 -12.372 1.00 21.12 H new ATOM 73 N GLU A 6 -12.104 -0.328 -16.732 1.00 63.52 N ATOM 74 CA GLU A 6 -11.256 -0.606 -17.916 1.00 31.31 C ATOM 75 C GLU A 6 -9.983 0.273 -17.914 1.00 61.54 C ATOM 76 O GLU A 6 -8.954 -0.117 -18.468 1.00 14.14 O ATOM 77 CB GLU A 6 -12.065 -0.419 -19.223 1.00 35.12 C ATOM 78 CG GLU A 6 -12.598 1.009 -19.450 1.00 11.32 C ATOM 79 CD GLU A 6 -13.551 1.117 -20.646 1.00 31.41 C ATOM 80 OE1 GLU A 6 -14.754 0.832 -20.490 1.00 22.54 O ATOM 81 OE2 GLU A 6 -13.094 1.468 -21.750 1.00 3.12 O ATOM 0 H GLU A 6 -12.975 0.155 -16.953 1.00 63.52 H new ATOM 0 HA GLU A 6 -10.934 -1.646 -17.864 1.00 31.31 H new ATOM 0 HB2 GLU A 6 -11.434 -0.696 -20.068 1.00 35.12 H new ATOM 0 HB3 GLU A 6 -12.908 -1.110 -19.215 1.00 35.12 H new ATOM 0 HG2 GLU A 6 -13.115 1.344 -18.551 1.00 11.32 H new ATOM 0 HG3 GLU A 6 -11.756 1.684 -19.603 1.00 11.32 H new ATOM 88 N ASP A 7 -10.072 1.467 -17.298 1.00 45.34 N ATOM 89 CA ASP A 7 -8.893 2.327 -17.046 1.00 63.33 C ATOM 90 C ASP A 7 -8.096 1.799 -15.846 1.00 54.12 C ATOM 91 O ASP A 7 -6.862 1.870 -15.833 1.00 51.24 O ATOM 92 CB ASP A 7 -9.314 3.802 -16.813 1.00 3.14 C ATOM 93 CG ASP A 7 -9.716 4.507 -18.116 1.00 13.41 C ATOM 94 OD1 ASP A 7 -10.900 4.455 -18.497 1.00 31.23 O ATOM 95 OD2 ASP A 7 -8.832 5.105 -18.770 1.00 2.21 O ATOM 0 H ASP A 7 -10.951 1.862 -16.963 1.00 45.34 H new ATOM 0 HA ASP A 7 -8.257 2.297 -17.931 1.00 63.33 H new ATOM 0 HB2 ASP A 7 -10.149 3.833 -16.113 1.00 3.14 H new ATOM 0 HB3 ASP A 7 -8.490 4.344 -16.349 1.00 3.14 H new ATOM 100 N TRP A 8 -8.829 1.301 -14.831 1.00 14.43 N ATOM 101 CA TRP A 8 -8.246 0.642 -13.649 1.00 0.31 C ATOM 102 C TRP A 8 -7.292 -0.485 -14.062 1.00 22.33 C ATOM 103 O TRP A 8 -6.169 -0.514 -13.583 1.00 74.21 O ATOM 104 CB TRP A 8 -9.353 0.106 -12.709 1.00 73.52 C ATOM 105 CG TRP A 8 -8.854 -0.621 -11.481 1.00 33.11 C ATOM 106 CD1 TRP A 8 -8.071 -0.111 -10.482 1.00 42.11 C ATOM 107 CD2 TRP A 8 -9.124 -1.985 -11.118 1.00 34.30 C ATOM 108 NE1 TRP A 8 -7.844 -1.070 -9.531 1.00 43.04 N ATOM 109 CE2 TRP A 8 -8.479 -2.226 -9.896 1.00 13.35 C ATOM 110 CE3 TRP A 8 -9.851 -3.021 -11.712 1.00 1.35 C ATOM 111 CZ2 TRP A 8 -8.540 -3.456 -9.252 1.00 24.34 C ATOM 112 CZ3 TRP A 8 -9.912 -4.246 -11.072 1.00 34.23 C ATOM 113 CH2 TRP A 8 -9.263 -4.452 -9.849 1.00 2.43 C ATOM 0 H TRP A 8 -9.848 1.346 -14.809 1.00 14.43 H new ATOM 0 HA TRP A 8 -7.671 1.389 -13.102 1.00 0.31 H new ATOM 0 HB2 TRP A 8 -9.974 0.943 -12.390 1.00 73.52 H new ATOM 0 HB3 TRP A 8 -9.995 -0.568 -13.276 1.00 73.52 H new ATOM 0 HD1 TRP A 8 -7.688 0.898 -10.448 1.00 42.11 H new ATOM 0 HE1 TRP A 8 -7.289 -0.943 -8.685 1.00 43.04 H new ATOM 0 HE3 TRP A 8 -10.356 -2.868 -12.654 1.00 1.35 H new ATOM 0 HZ2 TRP A 8 -8.034 -3.620 -8.312 1.00 24.34 H new ATOM 0 HZ3 TRP A 8 -10.468 -5.055 -11.522 1.00 34.23 H new ATOM 0 HH2 TRP A 8 -9.334 -5.416 -9.367 1.00 2.43 H new ATOM 124 N GLU A 9 -7.734 -1.370 -14.990 1.00 41.52 N ATOM 125 CA GLU A 9 -6.918 -2.519 -15.439 1.00 32.14 C ATOM 126 C GLU A 9 -5.707 -2.069 -16.301 1.00 53.10 C ATOM 127 O GLU A 9 -4.729 -2.816 -16.429 1.00 4.13 O ATOM 128 CB GLU A 9 -7.770 -3.577 -16.190 1.00 21.33 C ATOM 129 CG GLU A 9 -8.365 -3.095 -17.526 1.00 63.21 C ATOM 130 CD GLU A 9 -9.047 -4.214 -18.332 1.00 21.24 C ATOM 131 OE1 GLU A 9 -8.330 -5.098 -18.846 1.00 42.20 O ATOM 132 OE2 GLU A 9 -10.290 -4.220 -18.449 1.00 72.20 O ATOM 0 H GLU A 9 -8.648 -1.308 -15.439 1.00 41.52 H new ATOM 0 HA GLU A 9 -6.525 -2.991 -14.538 1.00 32.14 H new ATOM 0 HB2 GLU A 9 -7.151 -4.454 -16.379 1.00 21.33 H new ATOM 0 HB3 GLU A 9 -8.584 -3.896 -15.539 1.00 21.33 H new ATOM 0 HG2 GLU A 9 -9.091 -2.306 -17.328 1.00 63.21 H new ATOM 0 HG3 GLU A 9 -7.572 -2.654 -18.130 1.00 63.21 H new ATOM 139 N THR A 10 -5.770 -0.846 -16.864 1.00 11.52 N ATOM 140 CA THR A 10 -4.653 -0.252 -17.627 1.00 35.14 C ATOM 141 C THR A 10 -3.510 0.166 -16.674 1.00 64.21 C ATOM 142 O THR A 10 -2.385 -0.338 -16.788 1.00 61.04 O ATOM 143 CB THR A 10 -5.132 0.978 -18.463 1.00 3.55 C ATOM 144 OG1 THR A 10 -6.281 0.609 -19.233 1.00 51.21 O ATOM 145 CG2 THR A 10 -4.036 1.513 -19.405 1.00 50.04 C ATOM 0 H THR A 10 -6.592 -0.245 -16.804 1.00 11.52 H new ATOM 0 HA THR A 10 -4.280 -1.009 -18.317 1.00 35.14 H new ATOM 0 HB THR A 10 -5.378 1.775 -17.761 1.00 3.55 H new ATOM 0 HG1 THR A 10 -7.045 0.470 -18.635 1.00 51.21 H new ATOM 0 HG21 THR A 10 -4.420 2.367 -19.963 1.00 50.04 H new ATOM 0 HG22 THR A 10 -3.171 1.822 -18.818 1.00 50.04 H new ATOM 0 HG23 THR A 10 -3.740 0.729 -20.102 1.00 50.04 H new ATOM 153 N GLN A 11 -3.815 1.074 -15.719 1.00 32.03 N ATOM 154 CA GLN A 11 -2.841 1.527 -14.697 1.00 21.13 C ATOM 155 C GLN A 11 -2.416 0.371 -13.770 1.00 60.30 C ATOM 156 O GLN A 11 -1.310 0.386 -13.234 1.00 32.12 O ATOM 157 CB GLN A 11 -3.416 2.695 -13.857 1.00 32.20 C ATOM 158 CG GLN A 11 -4.727 2.373 -13.107 1.00 2.24 C ATOM 159 CD GLN A 11 -5.241 3.516 -12.231 1.00 43.54 C ATOM 160 OE1 GLN A 11 -5.019 4.695 -12.525 1.00 24.02 O ATOM 161 NE2 GLN A 11 -5.942 3.180 -11.158 1.00 24.54 N ATOM 0 H GLN A 11 -4.733 1.510 -15.634 1.00 32.03 H new ATOM 0 HA GLN A 11 -1.958 1.881 -15.230 1.00 21.13 H new ATOM 0 HB2 GLN A 11 -2.665 3.004 -13.130 1.00 32.20 H new ATOM 0 HB3 GLN A 11 -3.591 3.545 -14.516 1.00 32.20 H new ATOM 0 HG2 GLN A 11 -5.495 2.114 -13.835 1.00 2.24 H new ATOM 0 HG3 GLN A 11 -4.569 1.493 -12.483 1.00 2.24 H new ATOM 0 HE21 GLN A 11 -6.107 2.196 -10.944 1.00 24.54 H new ATOM 0 HE22 GLN A 11 -6.317 3.905 -10.546 1.00 24.54 H new ATOM 170 N LEU A 12 -3.315 -0.626 -13.619 1.00 74.12 N ATOM 171 CA LEU A 12 -3.112 -1.836 -12.801 1.00 33.34 C ATOM 172 C LEU A 12 -1.818 -2.550 -13.179 1.00 5.23 C ATOM 173 O LEU A 12 -0.906 -2.611 -12.350 1.00 43.21 O ATOM 174 CB LEU A 12 -4.337 -2.771 -12.971 1.00 53.31 C ATOM 175 CG LEU A 12 -4.246 -4.243 -12.482 1.00 3.21 C ATOM 176 CD1 LEU A 12 -3.889 -4.333 -11.000 1.00 54.40 C ATOM 177 CD2 LEU A 12 -5.556 -4.997 -12.790 1.00 71.44 C ATOM 0 H LEU A 12 -4.226 -0.608 -14.077 1.00 74.12 H new ATOM 0 HA LEU A 12 -3.021 -1.548 -11.754 1.00 33.34 H new ATOM 0 HB2 LEU A 12 -5.177 -2.306 -12.455 1.00 53.31 H new ATOM 0 HB3 LEU A 12 -4.587 -2.793 -14.032 1.00 53.31 H new ATOM 0 HG LEU A 12 -3.436 -4.723 -13.030 1.00 3.21 H new ATOM 0 HD11 LEU A 12 -3.836 -5.380 -10.701 1.00 54.40 H new ATOM 0 HD12 LEU A 12 -2.923 -3.858 -10.829 1.00 54.40 H new ATOM 0 HD13 LEU A 12 -4.653 -3.826 -10.410 1.00 54.40 H new ATOM 0 HD21 LEU A 12 -5.474 -6.026 -12.441 1.00 71.44 H new ATOM 0 HD22 LEU A 12 -6.386 -4.506 -12.282 1.00 71.44 H new ATOM 0 HD23 LEU A 12 -5.735 -4.992 -13.865 1.00 71.44 H new ATOM 189 N GLN A 13 -1.728 -3.009 -14.448 1.00 23.01 N ATOM 190 CA GLN A 13 -0.589 -3.816 -14.918 1.00 3.34 C ATOM 191 C GLN A 13 0.740 -3.064 -14.732 1.00 63.32 C ATOM 192 O GLN A 13 1.737 -3.677 -14.376 1.00 74.32 O ATOM 193 CB GLN A 13 -0.776 -4.261 -16.389 1.00 14.25 C ATOM 194 CG GLN A 13 -0.969 -3.122 -17.404 1.00 62.33 C ATOM 195 CD GLN A 13 -1.104 -3.589 -18.858 1.00 73.14 C ATOM 196 OE1 GLN A 13 -0.383 -4.641 -19.241 1.00 1.32 O flip ATOM 197 NE2 GLN A 13 -1.816 -2.971 -19.650 1.00 13.51 N flip ATOM 0 H GLN A 13 -2.434 -2.832 -15.163 1.00 23.01 H new ATOM 0 HA GLN A 13 -0.553 -4.717 -14.305 1.00 3.34 H new ATOM 0 HB2 GLN A 13 0.094 -4.847 -16.687 1.00 14.25 H new ATOM 0 HB3 GLN A 13 -1.640 -4.923 -16.443 1.00 14.25 H new ATOM 0 HG2 GLN A 13 -1.860 -2.556 -17.132 1.00 62.33 H new ATOM 0 HG3 GLN A 13 -0.123 -2.439 -17.331 1.00 62.33 H new ATOM 0 HE21 GLN A 13 -2.358 -2.169 -19.329 1.00 13.51 H new ATOM 0 HE22 GLN A 13 -1.864 -3.262 -20.627 1.00 13.51 H new ATOM 206 N ALA A 14 0.697 -1.723 -14.906 1.00 63.25 N ATOM 207 CA ALA A 14 1.851 -0.838 -14.694 1.00 3.45 C ATOM 208 C ALA A 14 2.341 -0.889 -13.235 1.00 34.03 C ATOM 209 O ALA A 14 3.531 -1.111 -12.991 1.00 30.34 O ATOM 210 CB ALA A 14 1.492 0.607 -15.082 1.00 30.23 C ATOM 0 H ALA A 14 -0.146 -1.229 -15.199 1.00 63.25 H new ATOM 0 HA ALA A 14 2.662 -1.190 -15.332 1.00 3.45 H new ATOM 0 HB1 ALA A 14 2.355 1.252 -14.920 1.00 30.23 H new ATOM 0 HB2 ALA A 14 1.205 0.641 -16.133 1.00 30.23 H new ATOM 0 HB3 ALA A 14 0.660 0.953 -14.468 1.00 30.23 H new ATOM 216 N ASN A 15 1.390 -0.706 -12.288 1.00 54.11 N ATOM 217 CA ASN A 15 1.651 -0.661 -10.826 1.00 13.41 C ATOM 218 C ASN A 15 2.462 -1.874 -10.314 1.00 61.31 C ATOM 219 O ASN A 15 3.284 -1.725 -9.408 1.00 0.15 O ATOM 220 CB ASN A 15 0.314 -0.554 -10.032 1.00 74.40 C ATOM 221 CG ASN A 15 -0.488 0.722 -10.313 1.00 34.31 C ATOM 222 OD1 ASN A 15 0.071 1.775 -10.622 1.00 41.42 O ATOM 223 ND2 ASN A 15 -1.809 0.639 -10.208 1.00 53.40 N ATOM 0 H ASN A 15 0.404 -0.583 -12.520 1.00 54.11 H new ATOM 0 HA ASN A 15 2.258 0.228 -10.655 1.00 13.41 H new ATOM 0 HB2 ASN A 15 -0.306 -1.418 -10.270 1.00 74.40 H new ATOM 0 HB3 ASN A 15 0.534 -0.603 -8.966 1.00 74.40 H new ATOM 0 HD21 ASN A 15 -2.387 1.460 -10.385 1.00 53.40 H new ATOM 0 HD22 ASN A 15 -2.246 -0.246 -9.950 1.00 53.40 H new ATOM 230 N ARG A 16 2.234 -3.079 -10.885 1.00 3.04 N ATOM 231 CA ARG A 16 3.001 -4.296 -10.489 1.00 41.53 C ATOM 232 C ARG A 16 4.048 -4.704 -11.528 1.00 2.25 C ATOM 233 O ARG A 16 4.822 -5.615 -11.250 1.00 33.12 O ATOM 234 CB ARG A 16 2.110 -5.527 -10.147 1.00 63.24 C ATOM 235 CG ARG A 16 1.068 -5.935 -11.220 1.00 4.01 C ATOM 236 CD ARG A 16 -0.278 -5.241 -11.004 1.00 35.05 C ATOM 237 NE ARG A 16 -0.827 -5.521 -9.661 1.00 13.55 N ATOM 238 CZ ARG A 16 -0.980 -4.630 -8.667 1.00 25.43 C ATOM 239 NH1 ARG A 16 -0.635 -3.362 -8.829 1.00 53.24 N ATOM 240 NH2 ARG A 16 -1.459 -5.029 -7.506 1.00 30.53 N ATOM 0 H ARG A 16 1.537 -3.240 -11.612 1.00 3.04 H new ATOM 0 HA ARG A 16 3.509 -3.991 -9.574 1.00 41.53 H new ATOM 0 HB2 ARG A 16 2.762 -6.381 -9.960 1.00 63.24 H new ATOM 0 HB3 ARG A 16 1.581 -5.320 -9.217 1.00 63.24 H new ATOM 0 HG2 ARG A 16 1.450 -5.685 -12.210 1.00 4.01 H new ATOM 0 HG3 ARG A 16 0.927 -7.016 -11.196 1.00 4.01 H new ATOM 0 HD2 ARG A 16 -0.157 -4.165 -11.131 1.00 35.05 H new ATOM 0 HD3 ARG A 16 -0.985 -5.574 -11.763 1.00 35.05 H new ATOM 0 HE ARG A 16 -1.117 -6.480 -9.471 1.00 13.55 H new ATOM 0 HH11 ARG A 16 -0.247 -3.049 -9.719 1.00 53.24 H new ATOM 0 HH12 ARG A 16 -0.758 -2.698 -8.064 1.00 53.24 H new ATOM 0 HH21 ARG A 16 -1.710 -6.008 -7.367 1.00 30.53 H new ATOM 0 HH22 ARG A 16 -1.578 -4.359 -6.746 1.00 30.53 H new ATOM 254 N ASP A 17 4.062 -4.079 -12.720 1.00 32.13 N ATOM 255 CA ASP A 17 5.119 -4.340 -13.733 1.00 33.10 C ATOM 256 C ASP A 17 6.443 -3.699 -13.300 1.00 32.11 C ATOM 257 O ASP A 17 7.515 -4.322 -13.373 1.00 35.12 O ATOM 258 CB ASP A 17 4.700 -3.815 -15.127 1.00 33.31 C ATOM 259 CG ASP A 17 5.764 -4.078 -16.206 1.00 44.50 C ATOM 260 OD1 ASP A 17 5.902 -5.238 -16.644 1.00 32.04 O ATOM 261 OD2 ASP A 17 6.459 -3.137 -16.631 1.00 32.44 O ATOM 0 H ASP A 17 3.363 -3.395 -13.010 1.00 32.13 H new ATOM 0 HA ASP A 17 5.256 -5.419 -13.806 1.00 33.10 H new ATOM 0 HB2 ASP A 17 3.764 -4.289 -15.423 1.00 33.31 H new ATOM 0 HB3 ASP A 17 4.509 -2.744 -15.065 1.00 33.31 H new ATOM 266 N GLU A 18 6.352 -2.441 -12.848 1.00 30.41 N ATOM 267 CA GLU A 18 7.499 -1.704 -12.310 1.00 44.24 C ATOM 268 C GLU A 18 7.953 -2.323 -10.970 1.00 34.10 C ATOM 269 O GLU A 18 9.152 -2.375 -10.686 1.00 5.14 O ATOM 270 CB GLU A 18 7.146 -0.194 -12.189 1.00 2.02 C ATOM 271 CG GLU A 18 5.909 0.148 -11.291 1.00 61.44 C ATOM 272 CD GLU A 18 6.275 0.765 -9.927 1.00 24.40 C ATOM 273 OE1 GLU A 18 6.731 0.022 -9.046 1.00 0.40 O ATOM 274 OE2 GLU A 18 6.143 1.998 -9.753 1.00 52.23 O ATOM 0 H GLU A 18 5.482 -1.908 -12.846 1.00 30.41 H new ATOM 0 HA GLU A 18 8.344 -1.783 -12.993 1.00 44.24 H new ATOM 0 HB2 GLU A 18 8.015 0.332 -11.793 1.00 2.02 H new ATOM 0 HB3 GLU A 18 6.964 0.198 -13.190 1.00 2.02 H new ATOM 0 HG2 GLU A 18 5.263 0.841 -11.830 1.00 61.44 H new ATOM 0 HG3 GLU A 18 5.332 -0.762 -11.124 1.00 61.44 H new ATOM 281 N LYS A 19 6.977 -2.831 -10.177 1.00 5.15 N ATOM 282 CA LYS A 19 7.254 -3.588 -8.937 1.00 73.51 C ATOM 283 C LYS A 19 7.904 -4.952 -9.250 1.00 62.32 C ATOM 284 O LYS A 19 8.734 -5.433 -8.483 1.00 32.12 O ATOM 285 CB LYS A 19 5.947 -3.816 -8.116 1.00 43.24 C ATOM 286 CG LYS A 19 5.462 -2.644 -7.218 1.00 45.20 C ATOM 287 CD LYS A 19 6.309 -2.456 -5.918 1.00 10.53 C ATOM 288 CE LYS A 19 7.484 -1.471 -6.070 1.00 42.33 C ATOM 289 NZ LYS A 19 7.008 -0.071 -6.252 1.00 24.23 N ATOM 0 H LYS A 19 5.983 -2.727 -10.380 1.00 5.15 H new ATOM 0 HA LYS A 19 7.948 -2.992 -8.345 1.00 73.51 H new ATOM 0 HB2 LYS A 19 5.147 -4.060 -8.815 1.00 43.24 H new ATOM 0 HB3 LYS A 19 6.094 -4.690 -7.481 1.00 43.24 H new ATOM 0 HG2 LYS A 19 5.489 -1.720 -7.796 1.00 45.20 H new ATOM 0 HG3 LYS A 19 4.422 -2.816 -6.942 1.00 45.20 H new ATOM 0 HD2 LYS A 19 5.656 -2.105 -5.119 1.00 10.53 H new ATOM 0 HD3 LYS A 19 6.699 -3.425 -5.608 1.00 10.53 H new ATOM 0 HE2 LYS A 19 8.122 -1.527 -5.188 1.00 42.33 H new ATOM 0 HE3 LYS A 19 8.095 -1.762 -6.925 1.00 42.33 H new ATOM 0 HZ1 LYS A 19 7.739 0.590 -5.919 1.00 24.23 H new ATOM 0 HZ2 LYS A 19 6.817 0.102 -7.259 1.00 24.23 H new ATOM 0 HZ3 LYS A 19 6.136 0.073 -5.704 1.00 24.23 H new ATOM 303 N ASP A 20 7.493 -5.563 -10.372 1.00 63.10 N ATOM 304 CA ASP A 20 7.974 -6.890 -10.808 1.00 2.01 C ATOM 305 C ASP A 20 9.479 -6.858 -11.061 1.00 63.43 C ATOM 306 O ASP A 20 10.227 -7.622 -10.454 1.00 41.31 O ATOM 307 CB ASP A 20 7.221 -7.343 -12.089 1.00 44.55 C ATOM 308 CG ASP A 20 7.811 -8.603 -12.751 1.00 44.23 C ATOM 309 OD1 ASP A 20 7.623 -9.717 -12.209 1.00 20.02 O ATOM 310 OD2 ASP A 20 8.441 -8.479 -13.828 1.00 75.22 O ATOM 0 H ASP A 20 6.812 -5.150 -11.009 1.00 63.10 H new ATOM 0 HA ASP A 20 7.773 -7.608 -10.013 1.00 2.01 H new ATOM 0 HB2 ASP A 20 6.178 -7.532 -11.837 1.00 44.55 H new ATOM 0 HB3 ASP A 20 7.231 -6.527 -12.812 1.00 44.55 H new ATOM 315 N ARG A 21 9.915 -5.923 -11.923 1.00 43.54 N ATOM 316 CA ARG A 21 11.336 -5.809 -12.296 1.00 41.35 C ATOM 317 C ARG A 21 12.146 -5.108 -11.201 1.00 74.11 C ATOM 318 O ARG A 21 13.369 -5.143 -11.237 1.00 3.23 O ATOM 319 CB ARG A 21 11.521 -5.083 -13.644 1.00 31.54 C ATOM 320 CG ARG A 21 11.038 -3.619 -13.680 1.00 71.01 C ATOM 321 CD ARG A 21 11.420 -2.930 -14.994 1.00 34.51 C ATOM 322 NE ARG A 21 10.867 -3.631 -16.167 1.00 11.12 N ATOM 323 CZ ARG A 21 10.072 -3.090 -17.100 1.00 61.41 C ATOM 324 NH1 ARG A 21 9.699 -1.815 -17.027 1.00 13.45 N ATOM 325 NH2 ARG A 21 9.671 -3.835 -18.116 1.00 42.22 N ATOM 0 H ARG A 21 9.307 -5.238 -12.373 1.00 43.54 H new ATOM 0 HA ARG A 21 11.713 -6.826 -12.408 1.00 41.35 H new ATOM 0 HB2 ARG A 21 12.579 -5.105 -13.907 1.00 31.54 H new ATOM 0 HB3 ARG A 21 10.989 -5.642 -14.414 1.00 31.54 H new ATOM 0 HG2 ARG A 21 9.956 -3.589 -13.555 1.00 71.01 H new ATOM 0 HG3 ARG A 21 11.471 -3.072 -12.843 1.00 71.01 H new ATOM 0 HD2 ARG A 21 11.058 -1.902 -14.983 1.00 34.51 H new ATOM 0 HD3 ARG A 21 12.506 -2.885 -15.077 1.00 34.51 H new ATOM 0 HE ARG A 21 11.111 -4.615 -16.278 1.00 11.12 H new ATOM 0 HH11 ARG A 21 10.019 -1.234 -16.252 1.00 13.45 H new ATOM 0 HH12 ARG A 21 9.093 -1.419 -17.746 1.00 13.45 H new ATOM 0 HH21 ARG A 21 9.967 -4.809 -18.182 1.00 42.22 H new ATOM 0 HH22 ARG A 21 9.066 -3.436 -18.833 1.00 42.22 H new ATOM 339 N PHE A 22 11.460 -4.438 -10.253 1.00 22.12 N ATOM 340 CA PHE A 22 12.103 -3.917 -9.034 1.00 62.45 C ATOM 341 C PHE A 22 12.557 -5.102 -8.155 1.00 14.45 C ATOM 342 O PHE A 22 13.721 -5.200 -7.773 1.00 71.33 O ATOM 343 CB PHE A 22 11.132 -2.993 -8.252 1.00 74.02 C ATOM 344 CG PHE A 22 11.773 -2.229 -7.087 1.00 62.13 C ATOM 345 CD1 PHE A 22 11.841 -2.778 -5.803 1.00 65.11 C ATOM 346 CD2 PHE A 22 12.296 -0.954 -7.277 1.00 75.55 C ATOM 347 CE1 PHE A 22 12.414 -2.079 -4.759 1.00 41.14 C ATOM 348 CE2 PHE A 22 12.863 -0.255 -6.233 1.00 12.22 C ATOM 349 CZ PHE A 22 12.921 -0.814 -4.975 1.00 70.22 C ATOM 0 H PHE A 22 10.460 -4.246 -10.310 1.00 22.12 H new ATOM 0 HA PHE A 22 12.973 -3.322 -9.313 1.00 62.45 H new ATOM 0 HB2 PHE A 22 10.699 -2.273 -8.946 1.00 74.02 H new ATOM 0 HB3 PHE A 22 10.311 -3.596 -7.865 1.00 74.02 H new ATOM 0 HD1 PHE A 22 11.439 -3.764 -5.625 1.00 65.11 H new ATOM 0 HD2 PHE A 22 12.257 -0.505 -8.258 1.00 75.55 H new ATOM 0 HE1 PHE A 22 12.465 -2.522 -3.775 1.00 41.14 H new ATOM 0 HE2 PHE A 22 13.263 0.734 -6.402 1.00 12.22 H new ATOM 0 HZ PHE A 22 13.363 -0.262 -4.158 1.00 70.22 H new ATOM 359 N PHE A 23 11.611 -6.007 -7.878 1.00 14.54 N ATOM 360 CA PHE A 23 11.822 -7.172 -6.997 1.00 64.15 C ATOM 361 C PHE A 23 12.625 -8.290 -7.696 1.00 61.41 C ATOM 362 O PHE A 23 13.254 -9.098 -7.024 1.00 31.10 O ATOM 363 CB PHE A 23 10.446 -7.700 -6.478 1.00 14.12 C ATOM 364 CG PHE A 23 9.848 -6.861 -5.334 1.00 61.30 C ATOM 365 CD1 PHE A 23 9.472 -5.530 -5.521 1.00 52.14 C ATOM 366 CD2 PHE A 23 9.704 -7.396 -4.058 1.00 72.55 C ATOM 367 CE1 PHE A 23 8.967 -4.776 -4.478 1.00 64.33 C ATOM 368 CE2 PHE A 23 9.208 -6.640 -3.015 1.00 75.31 C ATOM 369 CZ PHE A 23 8.839 -5.334 -3.224 1.00 3.42 C ATOM 0 H PHE A 23 10.667 -5.955 -8.261 1.00 14.54 H new ATOM 0 HA PHE A 23 12.420 -6.848 -6.145 1.00 64.15 H new ATOM 0 HB2 PHE A 23 9.740 -7.721 -7.308 1.00 14.12 H new ATOM 0 HB3 PHE A 23 10.568 -8.728 -6.137 1.00 14.12 H new ATOM 0 HD1 PHE A 23 9.577 -5.081 -6.498 1.00 52.14 H new ATOM 0 HD2 PHE A 23 9.986 -8.423 -3.880 1.00 72.55 H new ATOM 0 HE1 PHE A 23 8.673 -3.750 -4.646 1.00 64.33 H new ATOM 0 HE2 PHE A 23 9.110 -7.077 -2.032 1.00 75.31 H new ATOM 0 HZ PHE A 23 8.449 -4.745 -2.407 1.00 3.42 H new ATOM 379 N SER A 24 12.612 -8.330 -9.036 1.00 2.40 N ATOM 380 CA SER A 24 13.325 -9.374 -9.804 1.00 61.41 C ATOM 381 C SER A 24 14.714 -8.888 -10.259 1.00 34.22 C ATOM 382 O SER A 24 15.733 -9.509 -9.930 1.00 10.44 O ATOM 383 CB SER A 24 12.469 -9.825 -11.016 1.00 45.21 C ATOM 384 OG SER A 24 11.231 -10.379 -10.591 1.00 50.35 O ATOM 0 H SER A 24 12.116 -7.653 -9.616 1.00 2.40 H new ATOM 0 HA SER A 24 13.480 -10.232 -9.149 1.00 61.41 H new ATOM 0 HB2 SER A 24 12.284 -8.974 -11.671 1.00 45.21 H new ATOM 0 HB3 SER A 24 13.020 -10.563 -11.600 1.00 45.21 H new ATOM 0 HG SER A 24 10.587 -9.658 -10.433 1.00 50.35 H new ATOM 390 N GLU A 25 14.759 -7.747 -10.973 1.00 60.02 N ATOM 391 CA GLU A 25 15.963 -7.316 -11.733 1.00 3.43 C ATOM 392 C GLU A 25 16.781 -6.232 -10.999 1.00 52.50 C ATOM 393 O GLU A 25 18.017 -6.278 -10.998 1.00 32.21 O ATOM 394 CB GLU A 25 15.526 -6.800 -13.134 1.00 13.42 C ATOM 395 CG GLU A 25 14.633 -7.779 -13.932 1.00 22.24 C ATOM 396 CD GLU A 25 15.314 -9.133 -14.204 1.00 14.22 C ATOM 397 OE1 GLU A 25 16.156 -9.207 -15.123 1.00 22.01 O ATOM 398 OE2 GLU A 25 15.030 -10.118 -13.492 1.00 21.54 O ATOM 0 H GLU A 25 13.974 -7.099 -11.043 1.00 60.02 H new ATOM 0 HA GLU A 25 16.616 -8.183 -11.833 1.00 3.43 H new ATOM 0 HB2 GLU A 25 14.990 -5.859 -13.009 1.00 13.42 H new ATOM 0 HB3 GLU A 25 16.418 -6.582 -13.721 1.00 13.42 H new ATOM 0 HG2 GLU A 25 13.708 -7.949 -13.381 1.00 22.24 H new ATOM 0 HG3 GLU A 25 14.359 -7.320 -14.882 1.00 22.24 H new ATOM 405 N HIS A 26 16.080 -5.265 -10.380 1.00 22.42 N ATOM 406 CA HIS A 26 16.710 -4.087 -9.731 1.00 63.34 C ATOM 407 C HIS A 26 17.471 -4.526 -8.468 1.00 75.13 C ATOM 408 O HIS A 26 18.684 -4.331 -8.350 1.00 44.30 O ATOM 409 CB HIS A 26 15.625 -3.036 -9.385 1.00 52.20 C ATOM 410 CG HIS A 26 16.097 -1.868 -8.552 1.00 70.25 C ATOM 411 ND1 HIS A 26 15.934 -1.853 -7.189 1.00 62.22 N ATOM 412 CD2 HIS A 26 16.707 -0.718 -8.933 1.00 62.41 C ATOM 413 CE1 HIS A 26 16.441 -0.711 -6.775 1.00 21.25 C ATOM 414 NE2 HIS A 26 16.921 0.011 -7.794 1.00 1.42 N ATOM 0 H HIS A 26 15.062 -5.272 -10.312 1.00 22.42 H new ATOM 0 HA HIS A 26 17.423 -3.633 -10.419 1.00 63.34 H new ATOM 0 HB2 HIS A 26 15.206 -2.651 -10.315 1.00 52.20 H new ATOM 0 HB3 HIS A 26 14.815 -3.536 -8.853 1.00 52.20 H new ATOM 0 HD2 HIS A 26 16.973 -0.433 -9.940 1.00 62.41 H new ATOM 0 HE1 HIS A 26 16.466 -0.396 -5.742 1.00 21.25 H new ATOM 0 HE2 HIS A 26 17.362 0.929 -7.734 1.00 1.42 H new ATOM 422 N ARG A 27 16.729 -5.138 -7.553 1.00 2.14 N ATOM 423 CA ARG A 27 17.248 -5.675 -6.292 1.00 0.05 C ATOM 424 C ARG A 27 16.733 -7.109 -6.159 1.00 2.51 C ATOM 425 O ARG A 27 15.662 -7.429 -6.702 1.00 4.34 O ATOM 426 CB ARG A 27 16.796 -4.769 -5.101 1.00 40.33 C ATOM 427 CG ARG A 27 15.245 -4.593 -4.918 1.00 24.10 C ATOM 428 CD ARG A 27 14.675 -5.330 -3.690 1.00 3.41 C ATOM 429 NE ARG A 27 15.220 -4.779 -2.434 1.00 23.01 N ATOM 430 CZ ARG A 27 15.920 -5.457 -1.512 1.00 14.35 C ATOM 431 NH1 ARG A 27 16.172 -6.743 -1.666 1.00 71.15 N ATOM 432 NH2 ARG A 27 16.401 -4.821 -0.460 1.00 32.31 N ATOM 0 H ARG A 27 15.725 -5.280 -7.666 1.00 2.14 H new ATOM 0 HA ARG A 27 18.338 -5.684 -6.279 1.00 0.05 H new ATOM 0 HB2 ARG A 27 17.206 -5.183 -4.180 1.00 40.33 H new ATOM 0 HB3 ARG A 27 17.240 -3.782 -5.232 1.00 40.33 H new ATOM 0 HG2 ARG A 27 15.017 -3.531 -4.830 1.00 24.10 H new ATOM 0 HG3 ARG A 27 14.740 -4.954 -5.814 1.00 24.10 H new ATOM 0 HD2 ARG A 27 13.588 -5.246 -3.685 1.00 3.41 H new ATOM 0 HD3 ARG A 27 14.913 -6.392 -3.757 1.00 3.41 H new ATOM 0 HE ARG A 27 15.048 -3.791 -2.250 1.00 23.01 H new ATOM 0 HH11 ARG A 27 15.833 -7.233 -2.494 1.00 71.15 H new ATOM 0 HH12 ARG A 27 16.705 -7.247 -0.957 1.00 71.15 H new ATOM 0 HH21 ARG A 27 16.240 -3.820 -0.352 1.00 32.31 H new ATOM 0 HH22 ARG A 27 16.934 -5.331 0.245 1.00 32.31 H new ATOM 446 N GLN A 28 17.503 -7.979 -5.476 1.00 74.32 N ATOM 447 CA GLN A 28 17.103 -9.384 -5.257 1.00 34.22 C ATOM 448 C GLN A 28 15.787 -9.424 -4.460 1.00 41.53 C ATOM 449 O GLN A 28 15.600 -8.625 -3.541 1.00 41.24 O ATOM 450 CB GLN A 28 18.246 -10.198 -4.560 1.00 60.22 C ATOM 451 CG GLN A 28 18.626 -9.770 -3.103 1.00 20.33 C ATOM 452 CD GLN A 28 17.996 -10.656 -2.017 1.00 3.23 C ATOM 453 OE1 GLN A 28 18.559 -11.678 -1.631 1.00 51.31 O ATOM 454 NE2 GLN A 28 16.838 -10.272 -1.507 1.00 41.01 N ATOM 0 H GLN A 28 18.405 -7.734 -5.067 1.00 74.32 H new ATOM 0 HA GLN A 28 16.931 -9.864 -6.220 1.00 34.22 H new ATOM 0 HB2 GLN A 28 17.953 -11.248 -4.541 1.00 60.22 H new ATOM 0 HB3 GLN A 28 19.140 -10.128 -5.179 1.00 60.22 H new ATOM 0 HG2 GLN A 28 19.711 -9.796 -2.997 1.00 20.33 H new ATOM 0 HG3 GLN A 28 18.315 -8.738 -2.944 1.00 20.33 H new ATOM 0 HE21 GLN A 28 16.390 -9.420 -1.844 1.00 41.01 H new ATOM 0 HE22 GLN A 28 16.393 -10.828 -0.777 1.00 41.01 H new ATOM 463 N SER A 29 14.851 -10.281 -4.888 1.00 43.51 N ATOM 464 CA SER A 29 13.542 -10.432 -4.235 1.00 60.14 C ATOM 465 C SER A 29 13.676 -10.697 -2.711 1.00 35.42 C ATOM 466 O SER A 29 14.323 -11.670 -2.301 1.00 73.01 O ATOM 467 CB SER A 29 12.751 -11.564 -4.934 1.00 23.41 C ATOM 468 OG SER A 29 13.569 -12.696 -5.119 1.00 52.13 O ATOM 0 H SER A 29 14.979 -10.890 -5.697 1.00 43.51 H new ATOM 0 HA SER A 29 12.996 -9.494 -4.336 1.00 60.14 H new ATOM 0 HB2 SER A 29 11.881 -11.831 -4.335 1.00 23.41 H new ATOM 0 HB3 SER A 29 12.380 -11.215 -5.898 1.00 23.41 H new ATOM 0 HG SER A 29 14.116 -12.838 -4.319 1.00 52.13 H new ATOM 474 N PRO A 30 13.052 -9.820 -1.852 1.00 0.14 N ATOM 475 CA PRO A 30 12.969 -10.021 -0.383 1.00 24.45 C ATOM 476 C PRO A 30 11.823 -10.982 0.007 1.00 61.33 C ATOM 477 O PRO A 30 11.314 -10.921 1.121 1.00 23.42 O ATOM 478 CB PRO A 30 12.688 -8.584 0.125 1.00 4.21 C ATOM 479 CG PRO A 30 11.852 -7.982 -0.955 1.00 71.24 C ATOM 480 CD PRO A 30 12.419 -8.529 -2.245 1.00 42.41 C ATOM 0 HA PRO A 30 13.865 -10.476 0.040 1.00 24.45 H new ATOM 0 HB2 PRO A 30 12.162 -8.593 1.080 1.00 4.21 H new ATOM 0 HB3 PRO A 30 13.612 -8.025 0.275 1.00 4.21 H new ATOM 0 HG2 PRO A 30 10.803 -8.254 -0.839 1.00 71.24 H new ATOM 0 HG3 PRO A 30 11.903 -6.893 -0.932 1.00 71.24 H new ATOM 0 HD2 PRO A 30 11.638 -8.680 -2.990 1.00 42.41 H new ATOM 0 HD3 PRO A 30 13.148 -7.845 -2.681 1.00 42.41 H new ATOM 488 N ILE A 31 11.426 -11.848 -0.933 1.00 54.33 N ATOM 489 CA ILE A 31 10.414 -12.884 -0.722 1.00 3.14 C ATOM 490 C ILE A 31 11.154 -14.135 -0.200 1.00 50.42 C ATOM 491 O ILE A 31 12.242 -14.423 -0.725 1.00 72.54 O ATOM 492 CB ILE A 31 9.676 -13.184 -2.091 1.00 32.31 C ATOM 493 CG1 ILE A 31 9.068 -11.868 -2.694 1.00 54.42 C ATOM 494 CG2 ILE A 31 8.592 -14.286 -1.952 1.00 51.33 C ATOM 495 CD1 ILE A 31 7.996 -11.189 -1.847 1.00 32.21 C ATOM 0 H ILE A 31 11.808 -11.846 -1.879 1.00 54.33 H new ATOM 0 HA ILE A 31 9.658 -12.571 -0.002 1.00 3.14 H new ATOM 0 HB ILE A 31 10.427 -13.569 -2.781 1.00 32.31 H new ATOM 0 HG12 ILE A 31 9.878 -11.158 -2.861 1.00 54.42 H new ATOM 0 HG13 ILE A 31 8.642 -12.100 -3.670 1.00 54.42 H new ATOM 0 HG21 ILE A 31 8.117 -14.453 -2.919 1.00 51.33 H new ATOM 0 HG22 ILE A 31 9.056 -15.212 -1.611 1.00 51.33 H new ATOM 0 HG23 ILE A 31 7.841 -13.968 -1.229 1.00 51.33 H new ATOM 0 HD11 ILE A 31 7.645 -10.291 -2.356 1.00 32.21 H new ATOM 0 HD12 ILE A 31 7.160 -11.873 -1.701 1.00 32.21 H new ATOM 0 HD13 ILE A 31 8.416 -10.917 -0.879 1.00 32.21 H new ATOM 507 N PRO A 32 10.607 -14.866 0.852 1.00 12.34 N ATOM 508 CA PRO A 32 11.282 -16.043 1.465 1.00 75.45 C ATOM 509 C PRO A 32 11.846 -17.024 0.401 1.00 74.21 C ATOM 510 O PRO A 32 11.122 -17.361 -0.533 1.00 44.01 O ATOM 511 CB PRO A 32 10.164 -16.706 2.335 1.00 41.12 C ATOM 512 CG PRO A 32 8.892 -15.960 2.024 1.00 62.04 C ATOM 513 CD PRO A 32 9.316 -14.598 1.536 1.00 24.14 C ATOM 0 HA PRO A 32 12.155 -15.756 2.051 1.00 75.45 H new ATOM 0 HB2 PRO A 32 10.062 -17.765 2.097 1.00 41.12 H new ATOM 0 HB3 PRO A 32 10.405 -16.639 3.396 1.00 41.12 H new ATOM 0 HG2 PRO A 32 8.309 -16.482 1.265 1.00 62.04 H new ATOM 0 HG3 PRO A 32 8.262 -15.878 2.909 1.00 62.04 H new ATOM 0 HD2 PRO A 32 8.582 -14.168 0.855 1.00 24.14 H new ATOM 0 HD3 PRO A 32 9.436 -13.895 2.360 1.00 24.14 H new ATOM 521 N PRO A 33 13.164 -17.437 0.502 1.00 32.44 N ATOM 522 CA PRO A 33 13.869 -18.260 -0.533 1.00 32.35 C ATOM 523 C PRO A 33 13.059 -19.479 -1.044 1.00 50.12 C ATOM 524 O PRO A 33 13.087 -19.811 -2.237 1.00 31.32 O ATOM 525 CB PRO A 33 15.188 -18.697 0.180 1.00 22.44 C ATOM 526 CG PRO A 33 15.036 -18.287 1.623 1.00 2.14 C ATOM 527 CD PRO A 33 14.098 -17.104 1.615 1.00 52.14 C ATOM 0 HA PRO A 33 14.034 -17.684 -1.444 1.00 32.35 H new ATOM 0 HB2 PRO A 33 15.340 -19.773 0.094 1.00 22.44 H new ATOM 0 HB3 PRO A 33 16.055 -18.215 -0.273 1.00 22.44 H new ATOM 0 HG2 PRO A 33 14.632 -19.103 2.221 1.00 2.14 H new ATOM 0 HG3 PRO A 33 15.999 -18.020 2.058 1.00 2.14 H new ATOM 0 HD2 PRO A 33 13.574 -16.995 2.565 1.00 52.14 H new ATOM 0 HD3 PRO A 33 14.627 -16.168 1.434 1.00 52.14 H new ATOM 535 N GLU A 34 12.321 -20.111 -0.131 1.00 4.04 N ATOM 536 CA GLU A 34 11.534 -21.324 -0.425 1.00 54.33 C ATOM 537 C GLU A 34 10.193 -20.985 -1.119 1.00 1.34 C ATOM 538 O GLU A 34 9.656 -21.806 -1.867 1.00 31.13 O ATOM 539 CB GLU A 34 11.325 -22.104 0.891 1.00 25.33 C ATOM 540 CG GLU A 34 12.660 -22.502 1.567 1.00 32.01 C ATOM 541 CD GLU A 34 12.486 -23.136 2.953 1.00 11.14 C ATOM 542 OE1 GLU A 34 12.095 -24.318 3.028 1.00 2.52 O ATOM 543 OE2 GLU A 34 12.757 -22.467 3.972 1.00 22.32 O ATOM 0 H GLU A 34 12.247 -19.801 0.838 1.00 4.04 H new ATOM 0 HA GLU A 34 12.081 -21.950 -1.130 1.00 54.33 H new ATOM 0 HB2 GLU A 34 10.740 -21.495 1.581 1.00 25.33 H new ATOM 0 HB3 GLU A 34 10.743 -23.003 0.688 1.00 25.33 H new ATOM 0 HG2 GLU A 34 13.189 -23.202 0.921 1.00 32.01 H new ATOM 0 HG3 GLU A 34 13.288 -21.616 1.659 1.00 32.01 H new ATOM 550 N GLU A 35 9.666 -19.775 -0.873 1.00 4.40 N ATOM 551 CA GLU A 35 8.423 -19.290 -1.513 1.00 42.23 C ATOM 552 C GLU A 35 8.694 -18.753 -2.923 1.00 44.02 C ATOM 553 O GLU A 35 7.960 -19.075 -3.874 1.00 51.42 O ATOM 554 CB GLU A 35 7.771 -18.196 -0.645 1.00 44.43 C ATOM 555 CG GLU A 35 6.461 -17.613 -1.212 1.00 61.54 C ATOM 556 CD GLU A 35 5.712 -16.731 -0.206 1.00 72.34 C ATOM 557 OE1 GLU A 35 6.005 -15.519 -0.116 1.00 31.23 O ATOM 558 OE2 GLU A 35 4.827 -17.259 0.512 1.00 21.33 O ATOM 0 H GLU A 35 10.084 -19.104 -0.228 1.00 4.40 H new ATOM 0 HA GLU A 35 7.739 -20.134 -1.600 1.00 42.23 H new ATOM 0 HB2 GLU A 35 7.570 -18.609 0.344 1.00 44.43 H new ATOM 0 HB3 GLU A 35 8.486 -17.384 -0.512 1.00 44.43 H new ATOM 0 HG2 GLU A 35 6.686 -17.027 -2.103 1.00 61.54 H new ATOM 0 HG3 GLU A 35 5.811 -18.431 -1.524 1.00 61.54 H new ATOM 565 N ARG A 36 9.762 -17.943 -3.059 1.00 3.23 N ATOM 566 CA ARG A 36 10.115 -17.288 -4.327 1.00 14.04 C ATOM 567 C ARG A 36 10.563 -18.305 -5.392 1.00 35.50 C ATOM 568 O ARG A 36 10.621 -17.965 -6.574 1.00 4.13 O ATOM 569 CB ARG A 36 11.235 -16.243 -4.114 1.00 34.44 C ATOM 570 CG ARG A 36 12.581 -16.843 -3.648 1.00 40.52 C ATOM 571 CD ARG A 36 13.749 -15.861 -3.768 1.00 2.24 C ATOM 572 NE ARG A 36 13.881 -15.376 -5.151 1.00 40.20 N ATOM 573 CZ ARG A 36 14.669 -15.891 -6.104 1.00 42.13 C ATOM 574 NH1 ARG A 36 15.441 -16.947 -5.871 1.00 35.04 N ATOM 575 NH2 ARG A 36 14.675 -15.327 -7.299 1.00 40.31 N ATOM 0 H ARG A 36 10.401 -17.727 -2.294 1.00 3.23 H new ATOM 0 HA ARG A 36 9.215 -16.788 -4.685 1.00 14.04 H new ATOM 0 HB2 ARG A 36 11.395 -15.703 -5.047 1.00 34.44 H new ATOM 0 HB3 ARG A 36 10.900 -15.514 -3.376 1.00 34.44 H new ATOM 0 HG2 ARG A 36 12.489 -17.164 -2.610 1.00 40.52 H new ATOM 0 HG3 ARG A 36 12.800 -17.732 -4.239 1.00 40.52 H new ATOM 0 HD2 ARG A 36 13.592 -15.018 -3.095 1.00 2.24 H new ATOM 0 HD3 ARG A 36 14.674 -16.348 -3.458 1.00 2.24 H new ATOM 0 HE ARG A 36 13.316 -14.567 -5.410 1.00 40.20 H new ATOM 0 HH11 ARG A 36 15.442 -17.384 -4.950 1.00 35.04 H new ATOM 0 HH12 ARG A 36 16.032 -17.320 -6.614 1.00 35.04 H new ATOM 0 HH21 ARG A 36 14.086 -14.514 -7.482 1.00 40.31 H new ATOM 0 HH22 ARG A 36 15.268 -15.704 -8.038 1.00 40.31 H new ATOM 589 N ASP A 37 10.917 -19.530 -4.945 1.00 25.52 N ATOM 590 CA ASP A 37 11.210 -20.673 -5.830 1.00 64.12 C ATOM 591 C ASP A 37 10.077 -20.876 -6.865 1.00 41.32 C ATOM 592 O ASP A 37 10.335 -21.202 -8.025 1.00 13.20 O ATOM 593 CB ASP A 37 11.403 -21.962 -4.988 1.00 74.32 C ATOM 594 CG ASP A 37 11.824 -23.178 -5.836 1.00 22.00 C ATOM 595 OD1 ASP A 37 10.944 -23.884 -6.376 1.00 52.41 O ATOM 596 OD2 ASP A 37 13.040 -23.421 -5.985 1.00 24.54 O ATOM 0 H ASP A 37 11.007 -19.752 -3.954 1.00 25.52 H new ATOM 0 HA ASP A 37 12.131 -20.459 -6.372 1.00 64.12 H new ATOM 0 HB2 ASP A 37 12.158 -21.780 -4.223 1.00 74.32 H new ATOM 0 HB3 ASP A 37 10.473 -22.193 -4.469 1.00 74.32 H new ATOM 601 N ASP A 38 8.831 -20.691 -6.406 1.00 41.20 N ATOM 602 CA ASP A 38 7.632 -20.751 -7.259 1.00 31.13 C ATOM 603 C ASP A 38 7.282 -19.360 -7.834 1.00 63.03 C ATOM 604 O ASP A 38 6.785 -19.260 -8.960 1.00 42.05 O ATOM 605 CB ASP A 38 6.432 -21.309 -6.449 1.00 3.00 C ATOM 606 CG ASP A 38 6.690 -22.719 -5.894 1.00 42.11 C ATOM 607 OD1 ASP A 38 6.402 -23.713 -6.603 1.00 51.54 O ATOM 608 OD2 ASP A 38 7.208 -22.836 -4.757 1.00 10.20 O ATOM 0 H ASP A 38 8.624 -20.494 -5.427 1.00 41.20 H new ATOM 0 HA ASP A 38 7.845 -21.417 -8.095 1.00 31.13 H new ATOM 0 HB2 ASP A 38 6.212 -20.633 -5.623 1.00 3.00 H new ATOM 0 HB3 ASP A 38 5.548 -21.331 -7.087 1.00 3.00 H new ATOM 613 N PHE A 39 7.542 -18.283 -7.061 1.00 53.12 N ATOM 614 CA PHE A 39 7.113 -16.901 -7.413 1.00 30.13 C ATOM 615 C PHE A 39 8.313 -15.969 -7.707 1.00 63.42 C ATOM 616 O PHE A 39 9.029 -15.563 -6.787 1.00 1.12 O ATOM 617 CB PHE A 39 6.254 -16.309 -6.260 1.00 44.51 C ATOM 618 CG PHE A 39 4.959 -17.075 -5.988 1.00 52.30 C ATOM 619 CD1 PHE A 39 4.924 -18.135 -5.080 1.00 11.11 C ATOM 620 CD2 PHE A 39 3.773 -16.726 -6.642 1.00 34.31 C ATOM 621 CE1 PHE A 39 3.752 -18.821 -4.836 1.00 65.34 C ATOM 622 CE2 PHE A 39 2.603 -17.414 -6.394 1.00 52.12 C ATOM 623 CZ PHE A 39 2.592 -18.458 -5.492 1.00 63.31 C ATOM 0 H PHE A 39 8.052 -18.340 -6.179 1.00 53.12 H new ATOM 0 HA PHE A 39 6.521 -16.965 -8.326 1.00 30.13 H new ATOM 0 HB2 PHE A 39 6.851 -16.292 -5.348 1.00 44.51 H new ATOM 0 HB3 PHE A 39 6.008 -15.274 -6.499 1.00 44.51 H new ATOM 0 HD1 PHE A 39 5.827 -18.422 -4.561 1.00 11.11 H new ATOM 0 HD2 PHE A 39 3.773 -15.909 -7.349 1.00 34.31 H new ATOM 0 HE1 PHE A 39 3.742 -19.641 -4.133 1.00 65.34 H new ATOM 0 HE2 PHE A 39 1.694 -17.135 -6.907 1.00 52.12 H new ATOM 0 HZ PHE A 39 1.674 -18.993 -5.298 1.00 63.31 H new ATOM 633 N ASP A 40 8.501 -15.598 -8.988 1.00 2.41 N ATOM 634 CA ASP A 40 9.533 -14.612 -9.391 1.00 51.20 C ATOM 635 C ASP A 40 8.901 -13.213 -9.445 1.00 41.55 C ATOM 636 O ASP A 40 8.480 -12.740 -10.508 1.00 72.33 O ATOM 637 CB ASP A 40 10.172 -14.985 -10.757 1.00 74.14 C ATOM 638 CG ASP A 40 11.127 -16.180 -10.657 1.00 23.22 C ATOM 639 OD1 ASP A 40 12.278 -15.990 -10.204 1.00 13.42 O ATOM 640 OD2 ASP A 40 10.742 -17.308 -11.017 1.00 3.12 O ATOM 0 H ASP A 40 7.953 -15.965 -9.766 1.00 2.41 H new ATOM 0 HA ASP A 40 10.334 -14.619 -8.651 1.00 51.20 H new ATOM 0 HB2 ASP A 40 9.382 -15.215 -11.472 1.00 74.14 H new ATOM 0 HB3 ASP A 40 10.714 -14.124 -11.147 1.00 74.14 H new ATOM 645 N GLY A 41 8.778 -12.597 -8.265 1.00 20.41 N ATOM 646 CA GLY A 41 8.206 -11.261 -8.121 1.00 13.23 C ATOM 647 C GLY A 41 7.482 -11.140 -6.791 1.00 43.43 C ATOM 648 O GLY A 41 7.777 -11.886 -5.847 1.00 55.23 O ATOM 0 H GLY A 41 9.074 -13.015 -7.383 1.00 20.41 H new ATOM 0 HA2 GLY A 41 8.995 -10.511 -8.183 1.00 13.23 H new ATOM 0 HA3 GLY A 41 7.514 -11.064 -8.939 1.00 13.23 H new ATOM 652 N LEU A 42 6.542 -10.190 -6.712 1.00 22.43 N ATOM 653 CA LEU A 42 5.549 -10.139 -5.629 1.00 63.24 C ATOM 654 C LEU A 42 4.560 -11.314 -5.761 1.00 34.11 C ATOM 655 O LEU A 42 3.897 -11.458 -6.794 1.00 65.44 O ATOM 656 CB LEU A 42 4.763 -8.792 -5.656 1.00 32.05 C ATOM 657 CG LEU A 42 5.545 -7.533 -5.177 1.00 34.15 C ATOM 658 CD1 LEU A 42 4.750 -6.243 -5.457 1.00 21.32 C ATOM 659 CD2 LEU A 42 5.897 -7.651 -3.677 1.00 22.40 C ATOM 0 H LEU A 42 6.447 -9.437 -7.394 1.00 22.43 H new ATOM 0 HA LEU A 42 6.080 -10.214 -4.680 1.00 63.24 H new ATOM 0 HB2 LEU A 42 4.420 -8.615 -6.675 1.00 32.05 H new ATOM 0 HB3 LEU A 42 3.874 -8.901 -5.035 1.00 32.05 H new ATOM 0 HG LEU A 42 6.475 -7.477 -5.743 1.00 34.15 H new ATOM 0 HD11 LEU A 42 5.321 -5.381 -5.112 1.00 21.32 H new ATOM 0 HD12 LEU A 42 4.569 -6.153 -6.528 1.00 21.32 H new ATOM 0 HD13 LEU A 42 3.797 -6.281 -4.930 1.00 21.32 H new ATOM 0 HD21 LEU A 42 6.443 -6.762 -3.360 1.00 22.40 H new ATOM 0 HD22 LEU A 42 4.980 -7.740 -3.094 1.00 22.40 H new ATOM 0 HD23 LEU A 42 6.516 -8.534 -3.517 1.00 22.40 H new ATOM 671 N SER A 43 4.526 -12.183 -4.742 1.00 22.34 N ATOM 672 CA SER A 43 3.400 -13.101 -4.508 1.00 50.21 C ATOM 673 C SER A 43 2.348 -12.317 -3.697 1.00 13.21 C ATOM 674 O SER A 43 2.680 -11.803 -2.637 1.00 4.11 O ATOM 675 CB SER A 43 3.892 -14.350 -3.726 1.00 1.22 C ATOM 676 OG SER A 43 2.855 -15.304 -3.529 1.00 53.51 O ATOM 0 H SER A 43 5.276 -12.270 -4.057 1.00 22.34 H new ATOM 0 HA SER A 43 2.969 -13.454 -5.445 1.00 50.21 H new ATOM 0 HB2 SER A 43 4.714 -14.816 -4.269 1.00 1.22 H new ATOM 0 HB3 SER A 43 4.286 -14.039 -2.758 1.00 1.22 H new ATOM 0 HG SER A 43 2.796 -15.889 -4.313 1.00 53.51 H new ATOM 682 N TYR A 44 1.113 -12.192 -4.210 1.00 43.11 N ATOM 683 CA TYR A 44 0.083 -11.306 -3.600 1.00 62.33 C ATOM 684 C TYR A 44 -1.340 -11.663 -4.096 1.00 41.30 C ATOM 685 O TYR A 44 -1.541 -12.699 -4.741 1.00 75.11 O ATOM 686 CB TYR A 44 0.439 -9.803 -3.883 1.00 21.41 C ATOM 687 CG TYR A 44 0.339 -9.377 -5.361 1.00 30.12 C ATOM 688 CD1 TYR A 44 1.163 -9.946 -6.331 1.00 61.34 C ATOM 689 CD2 TYR A 44 -0.594 -8.432 -5.789 1.00 3.11 C ATOM 690 CE1 TYR A 44 1.070 -9.589 -7.657 1.00 12.31 C ATOM 691 CE2 TYR A 44 -0.693 -8.081 -7.116 1.00 13.13 C ATOM 692 CZ TYR A 44 0.139 -8.660 -8.043 1.00 3.33 C ATOM 693 OH TYR A 44 0.033 -8.314 -9.367 1.00 53.31 O ATOM 0 H TYR A 44 0.795 -12.688 -5.043 1.00 43.11 H new ATOM 0 HA TYR A 44 0.084 -11.462 -2.521 1.00 62.33 H new ATOM 0 HB2 TYR A 44 -0.224 -9.171 -3.293 1.00 21.41 H new ATOM 0 HB3 TYR A 44 1.454 -9.614 -3.534 1.00 21.41 H new ATOM 0 HD1 TYR A 44 1.892 -10.685 -6.035 1.00 61.34 H new ATOM 0 HD2 TYR A 44 -1.250 -7.968 -5.067 1.00 3.11 H new ATOM 0 HE1 TYR A 44 1.726 -10.038 -8.388 1.00 12.31 H new ATOM 0 HE2 TYR A 44 -1.425 -7.351 -7.428 1.00 13.13 H new ATOM 0 HH TYR A 44 -0.869 -8.522 -9.688 1.00 53.31 H new ATOM 703 N PHE A 45 -2.306 -10.782 -3.773 1.00 23.02 N ATOM 704 CA PHE A 45 -3.735 -10.964 -4.099 1.00 30.23 C ATOM 705 C PHE A 45 -3.989 -10.582 -5.572 1.00 70.42 C ATOM 706 O PHE A 45 -3.411 -9.609 -6.064 1.00 3.54 O ATOM 707 CB PHE A 45 -4.607 -10.090 -3.152 1.00 43.44 C ATOM 708 CG PHE A 45 -4.319 -10.300 -1.658 1.00 53.40 C ATOM 709 CD1 PHE A 45 -4.746 -11.458 -1.000 1.00 14.45 C ATOM 710 CD2 PHE A 45 -3.626 -9.338 -0.911 1.00 10.52 C ATOM 711 CE1 PHE A 45 -4.483 -11.648 0.347 1.00 23.11 C ATOM 712 CE2 PHE A 45 -3.365 -9.534 0.435 1.00 32.03 C ATOM 713 CZ PHE A 45 -3.798 -10.687 1.064 1.00 72.31 C ATOM 0 H PHE A 45 -2.115 -9.914 -3.273 1.00 23.02 H new ATOM 0 HA PHE A 45 -4.007 -12.010 -3.958 1.00 30.23 H new ATOM 0 HB2 PHE A 45 -4.449 -9.040 -3.397 1.00 43.44 H new ATOM 0 HB3 PHE A 45 -5.658 -10.306 -3.342 1.00 43.44 H new ATOM 0 HD1 PHE A 45 -5.288 -12.214 -1.549 1.00 14.45 H new ATOM 0 HD2 PHE A 45 -3.291 -8.431 -1.392 1.00 10.52 H new ATOM 0 HE1 PHE A 45 -4.815 -12.551 0.838 1.00 23.11 H new ATOM 0 HE2 PHE A 45 -2.823 -8.786 0.994 1.00 32.03 H new ATOM 0 HZ PHE A 45 -3.601 -10.836 2.115 1.00 72.31 H new ATOM 723 N ASP A 46 -4.862 -11.332 -6.275 1.00 74.31 N ATOM 724 CA ASP A 46 -5.193 -11.021 -7.690 1.00 22.22 C ATOM 725 C ASP A 46 -6.431 -10.075 -7.740 1.00 62.40 C ATOM 726 O ASP A 46 -7.240 -10.084 -6.800 1.00 50.11 O ATOM 727 CB ASP A 46 -5.346 -12.311 -8.568 1.00 15.15 C ATOM 728 CG ASP A 46 -6.450 -13.294 -8.147 1.00 65.45 C ATOM 729 OD1 ASP A 46 -7.638 -13.031 -8.412 1.00 42.44 O ATOM 730 OD2 ASP A 46 -6.126 -14.359 -7.588 1.00 14.21 O ATOM 0 H ASP A 46 -5.347 -12.146 -5.898 1.00 74.31 H new ATOM 0 HA ASP A 46 -4.355 -10.489 -8.141 1.00 22.22 H new ATOM 0 HB2 ASP A 46 -5.535 -12.004 -9.597 1.00 15.15 H new ATOM 0 HB3 ASP A 46 -4.395 -12.843 -8.564 1.00 15.15 H new ATOM 735 N PRO A 47 -6.564 -9.215 -8.817 1.00 15.34 N ATOM 736 CA PRO A 47 -7.545 -8.091 -8.863 1.00 10.43 C ATOM 737 C PRO A 47 -9.019 -8.514 -8.711 1.00 32.10 C ATOM 738 O PRO A 47 -9.524 -9.326 -9.489 1.00 71.24 O ATOM 739 CB PRO A 47 -7.310 -7.459 -10.265 1.00 54.43 C ATOM 740 CG PRO A 47 -5.931 -7.877 -10.644 1.00 3.02 C ATOM 741 CD PRO A 47 -5.757 -9.257 -10.069 1.00 14.10 C ATOM 0 HA PRO A 47 -7.384 -7.415 -8.023 1.00 10.43 H new ATOM 0 HB2 PRO A 47 -8.044 -7.815 -10.988 1.00 54.43 H new ATOM 0 HB3 PRO A 47 -7.399 -6.373 -10.229 1.00 54.43 H new ATOM 0 HG2 PRO A 47 -5.807 -7.885 -11.727 1.00 3.02 H new ATOM 0 HG3 PRO A 47 -5.188 -7.188 -10.243 1.00 3.02 H new ATOM 0 HD2 PRO A 47 -6.117 -10.025 -10.753 1.00 14.10 H new ATOM 0 HD3 PRO A 47 -4.709 -9.478 -9.864 1.00 14.10 H new ATOM 749 N ASP A 48 -9.695 -7.956 -7.704 1.00 22.50 N ATOM 750 CA ASP A 48 -11.147 -8.080 -7.535 1.00 34.12 C ATOM 751 C ASP A 48 -11.748 -6.665 -7.665 1.00 62.31 C ATOM 752 O ASP A 48 -11.532 -5.830 -6.776 1.00 71.22 O ATOM 753 CB ASP A 48 -11.487 -8.703 -6.156 1.00 15.42 C ATOM 754 CG ASP A 48 -12.987 -9.031 -6.002 1.00 41.44 C ATOM 755 OD1 ASP A 48 -13.788 -8.127 -5.679 1.00 71.54 O ATOM 756 OD2 ASP A 48 -13.373 -10.192 -6.213 1.00 30.32 O ATOM 0 H ASP A 48 -9.247 -7.400 -6.976 1.00 22.50 H new ATOM 0 HA ASP A 48 -11.566 -8.740 -8.294 1.00 34.12 H new ATOM 0 HB2 ASP A 48 -10.905 -9.614 -6.021 1.00 15.42 H new ATOM 0 HB3 ASP A 48 -11.188 -8.013 -5.367 1.00 15.42 H new ATOM 761 N PRO A 49 -12.498 -6.365 -8.767 1.00 32.25 N ATOM 762 CA PRO A 49 -13.036 -5.000 -9.036 1.00 12.11 C ATOM 763 C PRO A 49 -14.020 -4.495 -7.952 1.00 63.02 C ATOM 764 O PRO A 49 -14.168 -3.281 -7.770 1.00 52.34 O ATOM 765 CB PRO A 49 -13.738 -5.154 -10.414 1.00 64.21 C ATOM 766 CG PRO A 49 -14.028 -6.622 -10.537 1.00 64.45 C ATOM 767 CD PRO A 49 -12.879 -7.321 -9.848 1.00 51.22 C ATOM 0 HA PRO A 49 -12.245 -4.250 -9.029 1.00 12.11 H new ATOM 0 HB2 PRO A 49 -14.654 -4.565 -10.459 1.00 64.21 H new ATOM 0 HB3 PRO A 49 -13.097 -4.808 -11.225 1.00 64.21 H new ATOM 0 HG2 PRO A 49 -14.979 -6.875 -10.068 1.00 64.45 H new ATOM 0 HG3 PRO A 49 -14.099 -6.922 -11.583 1.00 64.45 H new ATOM 0 HD2 PRO A 49 -13.180 -8.287 -9.443 1.00 51.22 H new ATOM 0 HD3 PRO A 49 -12.051 -7.506 -10.533 1.00 51.22 H new ATOM 775 N ASP A 50 -14.668 -5.434 -7.231 1.00 4.44 N ATOM 776 CA ASP A 50 -15.684 -5.125 -6.197 1.00 4.41 C ATOM 777 C ASP A 50 -15.044 -4.965 -4.796 1.00 60.23 C ATOM 778 O ASP A 50 -15.651 -4.386 -3.891 1.00 14.24 O ATOM 779 CB ASP A 50 -16.767 -6.233 -6.206 1.00 64.22 C ATOM 780 CG ASP A 50 -17.917 -5.997 -5.209 1.00 31.44 C ATOM 781 OD1 ASP A 50 -18.787 -5.142 -5.481 1.00 72.35 O ATOM 782 OD2 ASP A 50 -17.963 -6.660 -4.149 1.00 70.04 O ATOM 0 H ASP A 50 -14.502 -6.433 -7.349 1.00 4.44 H new ATOM 0 HA ASP A 50 -16.150 -4.168 -6.432 1.00 4.41 H new ATOM 0 HB2 ASP A 50 -17.182 -6.312 -7.211 1.00 64.22 H new ATOM 0 HB3 ASP A 50 -16.295 -7.189 -5.980 1.00 64.22 H new ATOM 787 N TYR A 51 -13.778 -5.415 -4.648 1.00 15.23 N ATOM 788 CA TYR A 51 -13.016 -5.292 -3.375 1.00 63.42 C ATOM 789 C TYR A 51 -12.226 -3.960 -3.377 1.00 44.55 C ATOM 790 O TYR A 51 -11.351 -3.717 -2.539 1.00 74.12 O ATOM 791 CB TYR A 51 -12.055 -6.512 -3.182 1.00 53.44 C ATOM 792 CG TYR A 51 -11.989 -7.022 -1.738 1.00 55.41 C ATOM 793 CD1 TYR A 51 -11.293 -6.321 -0.744 1.00 52.52 C ATOM 794 CD2 TYR A 51 -12.664 -8.180 -1.361 1.00 44.21 C ATOM 795 CE1 TYR A 51 -11.272 -6.773 0.559 1.00 74.33 C ATOM 796 CE2 TYR A 51 -12.648 -8.623 -0.063 1.00 2.20 C ATOM 797 CZ TYR A 51 -11.953 -7.926 0.890 1.00 71.32 C ATOM 798 OH TYR A 51 -11.954 -8.380 2.185 1.00 4.43 O ATOM 0 H TYR A 51 -13.256 -5.870 -5.397 1.00 15.23 H new ATOM 0 HA TYR A 51 -13.715 -5.290 -2.538 1.00 63.42 H new ATOM 0 HB2 TYR A 51 -12.380 -7.325 -3.831 1.00 53.44 H new ATOM 0 HB3 TYR A 51 -11.053 -6.228 -3.504 1.00 53.44 H new ATOM 0 HD1 TYR A 51 -10.766 -5.414 -1.002 1.00 52.52 H new ATOM 0 HD2 TYR A 51 -13.211 -8.740 -2.105 1.00 44.21 H new ATOM 0 HE1 TYR A 51 -10.726 -6.228 1.315 1.00 74.33 H new ATOM 0 HE2 TYR A 51 -13.183 -9.521 0.208 1.00 2.20 H new ATOM 0 HH TYR A 51 -12.482 -9.203 2.243 1.00 4.43 H new ATOM 808 N ARG A 52 -12.543 -3.133 -4.367 1.00 73.22 N ATOM 809 CA ARG A 52 -11.973 -1.822 -4.584 1.00 34.50 C ATOM 810 C ARG A 52 -12.977 -0.780 -4.061 1.00 54.45 C ATOM 811 O ARG A 52 -14.116 -0.733 -4.536 1.00 5.51 O ATOM 812 CB ARG A 52 -11.735 -1.693 -6.106 1.00 22.51 C ATOM 813 CG ARG A 52 -11.218 -0.337 -6.583 1.00 23.14 C ATOM 814 CD ARG A 52 -10.997 -0.303 -8.104 1.00 31.54 C ATOM 815 NE ARG A 52 -12.244 -0.521 -8.867 1.00 21.00 N ATOM 816 CZ ARG A 52 -12.550 0.092 -10.022 1.00 31.32 C ATOM 817 NH1 ARG A 52 -11.707 0.967 -10.564 1.00 62.21 N ATOM 818 NH2 ARG A 52 -13.704 -0.167 -10.619 1.00 22.44 N ATOM 0 H ARG A 52 -13.240 -3.377 -5.071 1.00 73.22 H new ATOM 0 HA ARG A 52 -11.029 -1.668 -4.061 1.00 34.50 H new ATOM 0 HB2 ARG A 52 -11.023 -2.460 -6.410 1.00 22.51 H new ATOM 0 HB3 ARG A 52 -12.672 -1.906 -6.621 1.00 22.51 H new ATOM 0 HG2 ARG A 52 -11.929 0.440 -6.303 1.00 23.14 H new ATOM 0 HG3 ARG A 52 -10.281 -0.108 -6.076 1.00 23.14 H new ATOM 0 HD2 ARG A 52 -10.569 0.660 -8.383 1.00 31.54 H new ATOM 0 HD3 ARG A 52 -10.270 -1.067 -8.378 1.00 31.54 H new ATOM 0 HE ARG A 52 -12.920 -1.184 -8.489 1.00 21.00 H new ATOM 0 HH11 ARG A 52 -10.822 1.176 -10.102 1.00 62.21 H new ATOM 0 HH12 ARG A 52 -11.946 1.429 -11.441 1.00 62.21 H new ATOM 0 HH21 ARG A 52 -14.357 -0.830 -10.201 1.00 22.44 H new ATOM 0 HH22 ARG A 52 -13.940 0.297 -11.496 1.00 22.44 H new ATOM 832 N VAL A 53 -12.567 0.035 -3.074 1.00 60.51 N ATOM 833 CA VAL A 53 -13.469 0.997 -2.397 1.00 41.14 C ATOM 834 C VAL A 53 -13.039 2.439 -2.711 1.00 25.11 C ATOM 835 O VAL A 53 -11.955 2.671 -3.252 1.00 12.41 O ATOM 836 CB VAL A 53 -13.520 0.760 -0.831 1.00 62.45 C ATOM 837 CG1 VAL A 53 -13.961 -0.690 -0.496 1.00 62.43 C ATOM 838 CG2 VAL A 53 -12.173 1.109 -0.142 1.00 0.23 C ATOM 0 H VAL A 53 -11.610 0.050 -2.722 1.00 60.51 H new ATOM 0 HA VAL A 53 -14.476 0.833 -2.782 1.00 41.14 H new ATOM 0 HB VAL A 53 -14.270 1.442 -0.431 1.00 62.45 H new ATOM 0 HG11 VAL A 53 -13.986 -0.822 0.586 1.00 62.43 H new ATOM 0 HG12 VAL A 53 -14.954 -0.873 -0.907 1.00 62.43 H new ATOM 0 HG13 VAL A 53 -13.253 -1.395 -0.931 1.00 62.43 H new ATOM 0 HG21 VAL A 53 -12.256 0.931 0.930 1.00 0.23 H new ATOM 0 HG22 VAL A 53 -11.381 0.483 -0.554 1.00 0.23 H new ATOM 0 HG23 VAL A 53 -11.935 2.158 -0.318 1.00 0.23 H new ATOM 848 N GLU A 54 -13.910 3.394 -2.381 1.00 44.21 N ATOM 849 CA GLU A 54 -13.662 4.839 -2.566 1.00 23.34 C ATOM 850 C GLU A 54 -13.297 5.471 -1.208 1.00 2.22 C ATOM 851 O GLU A 54 -13.816 5.034 -0.180 1.00 62.01 O ATOM 852 CB GLU A 54 -14.942 5.489 -3.161 1.00 53.11 C ATOM 853 CG GLU A 54 -16.220 5.268 -2.321 1.00 3.13 C ATOM 854 CD GLU A 54 -17.493 5.794 -2.992 1.00 53.21 C ATOM 855 OE1 GLU A 54 -17.774 7.003 -2.884 1.00 14.23 O ATOM 856 OE2 GLU A 54 -18.209 5.003 -3.642 1.00 5.12 O ATOM 0 H GLU A 54 -14.822 3.191 -1.972 1.00 44.21 H new ATOM 0 HA GLU A 54 -12.831 5.004 -3.252 1.00 23.34 H new ATOM 0 HB2 GLU A 54 -14.774 6.561 -3.269 1.00 53.11 H new ATOM 0 HB3 GLU A 54 -15.106 5.089 -4.162 1.00 53.11 H new ATOM 0 HG2 GLU A 54 -16.336 4.202 -2.125 1.00 3.13 H new ATOM 0 HG3 GLU A 54 -16.099 5.758 -1.355 1.00 3.13 H new ATOM 863 N ALA A 55 -12.422 6.501 -1.193 1.00 51.43 N ATOM 864 CA ALA A 55 -11.934 7.123 0.064 1.00 21.15 C ATOM 865 C ALA A 55 -11.740 8.637 -0.099 1.00 1.02 C ATOM 866 O ALA A 55 -11.067 9.070 -1.024 1.00 13.41 O ATOM 867 CB ALA A 55 -10.612 6.465 0.501 1.00 21.01 C ATOM 0 H ALA A 55 -12.037 6.922 -2.038 1.00 51.43 H new ATOM 0 HA ALA A 55 -12.689 6.962 0.834 1.00 21.15 H new ATOM 0 HB1 ALA A 55 -10.263 6.928 1.424 1.00 21.01 H new ATOM 0 HB2 ALA A 55 -10.773 5.400 0.668 1.00 21.01 H new ATOM 0 HB3 ALA A 55 -9.863 6.600 -0.279 1.00 21.01 H new ATOM 873 N THR A 56 -12.317 9.429 0.823 1.00 2.44 N ATOM 874 CA THR A 56 -12.163 10.890 0.853 1.00 62.43 C ATOM 875 C THR A 56 -10.828 11.273 1.535 1.00 25.10 C ATOM 876 O THR A 56 -10.559 10.856 2.664 1.00 71.33 O ATOM 877 CB THR A 56 -13.360 11.546 1.613 1.00 63.34 C ATOM 878 OG1 THR A 56 -14.593 11.173 0.967 1.00 21.42 O ATOM 879 CG2 THR A 56 -13.256 13.083 1.669 1.00 51.23 C ATOM 0 H THR A 56 -12.907 9.068 1.572 1.00 2.44 H new ATOM 0 HA THR A 56 -12.154 11.260 -0.172 1.00 62.43 H new ATOM 0 HB THR A 56 -13.335 11.182 2.640 1.00 63.34 H new ATOM 0 HG1 THR A 56 -15.347 11.581 1.441 1.00 21.42 H new ATOM 0 HG21 THR A 56 -14.113 13.486 2.208 1.00 51.23 H new ATOM 0 HG22 THR A 56 -12.338 13.367 2.183 1.00 51.23 H new ATOM 0 HG23 THR A 56 -13.243 13.484 0.656 1.00 51.23 H new ATOM 887 N VAL A 57 -10.015 12.063 0.826 1.00 61.32 N ATOM 888 CA VAL A 57 -8.704 12.548 1.293 1.00 64.30 C ATOM 889 C VAL A 57 -8.870 13.698 2.312 1.00 53.04 C ATOM 890 O VAL A 57 -9.747 14.558 2.156 1.00 24.13 O ATOM 891 CB VAL A 57 -7.845 13.049 0.071 1.00 55.12 C ATOM 892 CG1 VAL A 57 -6.413 13.452 0.501 1.00 64.33 C ATOM 893 CG2 VAL A 57 -7.821 11.981 -1.048 1.00 61.32 C ATOM 0 H VAL A 57 -10.252 12.393 -0.110 1.00 61.32 H new ATOM 0 HA VAL A 57 -8.193 11.719 1.783 1.00 64.30 H new ATOM 0 HB VAL A 57 -8.319 13.947 -0.325 1.00 55.12 H new ATOM 0 HG11 VAL A 57 -5.853 13.792 -0.371 1.00 64.33 H new ATOM 0 HG12 VAL A 57 -6.466 14.257 1.234 1.00 64.33 H new ATOM 0 HG13 VAL A 57 -5.910 12.592 0.942 1.00 64.33 H new ATOM 0 HG21 VAL A 57 -7.223 12.344 -1.884 1.00 61.32 H new ATOM 0 HG22 VAL A 57 -7.384 11.060 -0.662 1.00 61.32 H new ATOM 0 HG23 VAL A 57 -8.838 11.786 -1.387 1.00 61.32 H new ATOM 903 N THR A 58 -8.015 13.698 3.346 1.00 23.44 N ATOM 904 CA THR A 58 -7.972 14.738 4.382 1.00 32.24 C ATOM 905 C THR A 58 -6.497 15.105 4.647 1.00 11.31 C ATOM 906 O THR A 58 -5.770 14.350 5.292 1.00 22.41 O ATOM 907 CB THR A 58 -8.663 14.241 5.699 1.00 32.32 C ATOM 908 OG1 THR A 58 -10.002 13.793 5.411 1.00 73.33 O ATOM 909 CG2 THR A 58 -8.708 15.335 6.785 1.00 64.34 C ATOM 0 H THR A 58 -7.323 12.962 3.487 1.00 23.44 H new ATOM 0 HA THR A 58 -8.516 15.619 4.040 1.00 32.24 H new ATOM 0 HB THR A 58 -8.066 13.416 6.086 1.00 32.32 H new ATOM 0 HG1 THR A 58 -10.428 13.482 6.237 1.00 73.33 H new ATOM 0 HG21 THR A 58 -9.196 14.942 7.677 1.00 64.34 H new ATOM 0 HG22 THR A 58 -7.692 15.644 7.033 1.00 64.34 H new ATOM 0 HG23 THR A 58 -9.268 16.193 6.414 1.00 64.34 H new ATOM 917 N VAL A 59 -6.070 16.268 4.142 1.00 61.20 N ATOM 918 CA VAL A 59 -4.661 16.707 4.188 1.00 10.31 C ATOM 919 C VAL A 59 -4.406 17.478 5.486 1.00 13.14 C ATOM 920 O VAL A 59 -5.272 18.229 5.940 1.00 12.10 O ATOM 921 CB VAL A 59 -4.311 17.601 2.943 1.00 71.01 C ATOM 922 CG1 VAL A 59 -2.843 18.099 2.971 1.00 51.33 C ATOM 923 CG2 VAL A 59 -4.597 16.825 1.648 1.00 71.30 C ATOM 0 H VAL A 59 -6.691 16.937 3.687 1.00 61.20 H new ATOM 0 HA VAL A 59 -4.019 15.827 4.160 1.00 10.31 H new ATOM 0 HB VAL A 59 -4.945 18.487 2.982 1.00 71.01 H new ATOM 0 HG11 VAL A 59 -2.650 18.712 2.091 1.00 51.33 H new ATOM 0 HG12 VAL A 59 -2.677 18.693 3.870 1.00 51.33 H new ATOM 0 HG13 VAL A 59 -2.168 17.243 2.972 1.00 51.33 H new ATOM 0 HG21 VAL A 59 -4.353 17.449 0.788 1.00 71.30 H new ATOM 0 HG22 VAL A 59 -3.989 15.920 1.624 1.00 71.30 H new ATOM 0 HG23 VAL A 59 -5.652 16.554 1.612 1.00 71.30 H new ATOM 933 N HIS A 60 -3.227 17.258 6.092 1.00 22.41 N ATOM 934 CA HIS A 60 -2.846 17.870 7.372 1.00 22.23 C ATOM 935 C HIS A 60 -1.708 18.879 7.174 1.00 44.31 C ATOM 936 O HIS A 60 -0.666 18.552 6.597 1.00 34.43 O ATOM 937 CB HIS A 60 -2.470 16.754 8.378 1.00 23.01 C ATOM 938 CG HIS A 60 -3.642 15.841 8.647 1.00 74.55 C ATOM 939 ND1 HIS A 60 -4.834 16.096 9.242 1.00 3.52 N flip ATOM 940 CD2 HIS A 60 -3.719 14.541 8.192 1.00 1.33 C flip ATOM 941 CE1 HIS A 60 -5.593 14.971 9.133 1.00 65.54 C flip ATOM 942 NE2 HIS A 60 -4.905 14.047 8.500 1.00 45.52 N flip ATOM 0 H HIS A 60 -2.509 16.647 5.704 1.00 22.41 H new ATOM 0 HA HIS A 60 -3.689 18.427 7.780 1.00 22.23 H new ATOM 0 HB2 HIS A 60 -1.636 16.173 7.985 1.00 23.01 H new ATOM 0 HB3 HIS A 60 -2.133 17.202 9.313 1.00 23.01 H new ATOM 0 HD1 HIS A 60 -5.111 16.970 9.689 1.00 3.52 H new ATOM 0 HD2 HIS A 60 -2.936 14.012 7.668 1.00 1.33 H new ATOM 0 HE1 HIS A 60 -6.600 14.856 9.507 1.00 65.54 H new ATOM 951 N GLU A 61 -1.944 20.107 7.680 1.00 4.31 N ATOM 952 CA GLU A 61 -1.028 21.257 7.547 1.00 13.44 C ATOM 953 C GLU A 61 0.215 21.086 8.444 1.00 52.40 C ATOM 954 O GLU A 61 1.240 21.737 8.218 1.00 10.42 O ATOM 955 CB GLU A 61 -1.780 22.581 7.875 1.00 72.50 C ATOM 956 CG GLU A 61 -2.372 22.655 9.299 1.00 25.23 C ATOM 957 CD GLU A 61 -3.226 23.914 9.531 1.00 54.44 C ATOM 958 OE1 GLU A 61 -2.674 24.952 9.948 1.00 72.45 O ATOM 959 OE2 GLU A 61 -4.453 23.869 9.282 1.00 71.23 O ATOM 0 H GLU A 61 -2.792 20.330 8.202 1.00 4.31 H new ATOM 0 HA GLU A 61 -0.680 21.304 6.515 1.00 13.44 H new ATOM 0 HB2 GLU A 61 -1.093 23.416 7.739 1.00 72.50 H new ATOM 0 HB3 GLU A 61 -2.587 22.712 7.154 1.00 72.50 H new ATOM 0 HG2 GLU A 61 -2.983 21.770 9.479 1.00 25.23 H new ATOM 0 HG3 GLU A 61 -1.560 22.635 10.026 1.00 25.23 H new ATOM 966 N THR A 62 0.104 20.212 9.464 1.00 23.24 N ATOM 967 CA THR A 62 1.219 19.834 10.340 1.00 45.42 C ATOM 968 C THR A 62 1.407 18.296 10.264 1.00 2.14 C ATOM 969 O THR A 62 0.644 17.548 10.880 1.00 41.55 O ATOM 970 CB THR A 62 0.954 20.298 11.814 1.00 74.01 C ATOM 971 OG1 THR A 62 -0.318 19.807 12.264 1.00 3.44 O ATOM 972 CG2 THR A 62 0.973 21.834 11.949 1.00 74.31 C ATOM 0 H THR A 62 -0.772 19.747 9.701 1.00 23.24 H new ATOM 0 HA THR A 62 2.132 20.329 10.008 1.00 45.42 H new ATOM 0 HB THR A 62 1.757 19.890 12.428 1.00 74.01 H new ATOM 0 HG1 THR A 62 -0.446 18.890 11.944 1.00 3.44 H new ATOM 0 HG21 THR A 62 0.785 22.110 12.986 1.00 74.31 H new ATOM 0 HG22 THR A 62 1.948 22.214 11.643 1.00 74.31 H new ATOM 0 HG23 THR A 62 0.200 22.265 11.313 1.00 74.31 H new ATOM 980 N PRO A 63 2.390 17.795 9.448 1.00 3.23 N ATOM 981 CA PRO A 63 2.623 16.338 9.284 1.00 63.25 C ATOM 982 C PRO A 63 3.374 15.719 10.488 1.00 2.24 C ATOM 983 O PRO A 63 4.409 16.245 10.920 1.00 1.31 O ATOM 984 CB PRO A 63 3.467 16.275 7.984 1.00 54.32 C ATOM 985 CG PRO A 63 4.232 17.567 7.956 1.00 64.34 C ATOM 986 CD PRO A 63 3.330 18.602 8.612 1.00 2.50 C ATOM 0 HA PRO A 63 1.698 15.764 9.231 1.00 63.25 H new ATOM 0 HB2 PRO A 63 4.140 15.418 7.991 1.00 54.32 H new ATOM 0 HB3 PRO A 63 2.831 16.174 7.105 1.00 54.32 H new ATOM 0 HG2 PRO A 63 5.175 17.474 8.494 1.00 64.34 H new ATOM 0 HG3 PRO A 63 4.476 17.854 6.933 1.00 64.34 H new ATOM 0 HD2 PRO A 63 3.904 19.301 9.221 1.00 2.50 H new ATOM 0 HD3 PRO A 63 2.795 19.192 7.868 1.00 2.50 H new ATOM 994 N GLU A 64 2.831 14.616 11.050 1.00 4.12 N ATOM 995 CA GLU A 64 3.501 13.859 12.129 1.00 43.45 C ATOM 996 C GLU A 64 4.539 12.888 11.527 1.00 51.41 C ATOM 997 O GLU A 64 4.402 12.455 10.375 1.00 52.34 O ATOM 998 CB GLU A 64 2.452 13.106 13.005 1.00 10.13 C ATOM 999 CG GLU A 64 1.600 12.068 12.253 1.00 5.14 C ATOM 1000 CD GLU A 64 0.533 11.386 13.125 1.00 43.41 C ATOM 1001 OE1 GLU A 64 0.847 10.363 13.776 1.00 3.51 O ATOM 1002 OE2 GLU A 64 -0.621 11.878 13.165 1.00 4.10 O ATOM 0 H GLU A 64 1.928 14.230 10.773 1.00 4.12 H new ATOM 0 HA GLU A 64 4.028 14.557 12.779 1.00 43.45 H new ATOM 0 HB2 GLU A 64 2.975 12.604 13.819 1.00 10.13 H new ATOM 0 HB3 GLU A 64 1.786 13.840 13.459 1.00 10.13 H new ATOM 0 HG2 GLU A 64 1.109 12.557 11.412 1.00 5.14 H new ATOM 0 HG3 GLU A 64 2.258 11.304 11.838 1.00 5.14 H new ATOM 1009 N SER A 65 5.576 12.561 12.309 1.00 32.03 N ATOM 1010 CA SER A 65 6.716 11.761 11.840 1.00 71.04 C ATOM 1011 C SER A 65 6.513 10.267 12.171 1.00 63.21 C ATOM 1012 O SER A 65 6.555 9.865 13.335 1.00 71.31 O ATOM 1013 CB SER A 65 8.002 12.318 12.488 1.00 25.14 C ATOM 1014 OG SER A 65 7.881 12.408 13.901 1.00 61.14 O ATOM 0 H SER A 65 5.649 12.844 13.286 1.00 32.03 H new ATOM 0 HA SER A 65 6.801 11.832 10.756 1.00 71.04 H new ATOM 0 HB2 SER A 65 8.845 11.675 12.235 1.00 25.14 H new ATOM 0 HB3 SER A 65 8.219 13.304 12.078 1.00 25.14 H new ATOM 0 HG SER A 65 7.392 11.628 14.238 1.00 61.14 H new ATOM 1020 N VAL A 66 6.288 9.462 11.120 1.00 31.11 N ATOM 1021 CA VAL A 66 5.959 8.027 11.218 1.00 12.31 C ATOM 1022 C VAL A 66 7.081 7.195 10.564 1.00 12.12 C ATOM 1023 O VAL A 66 7.310 7.314 9.363 1.00 24.13 O ATOM 1024 CB VAL A 66 4.585 7.738 10.496 1.00 14.33 C ATOM 1025 CG1 VAL A 66 4.108 6.286 10.727 1.00 25.21 C ATOM 1026 CG2 VAL A 66 3.506 8.769 10.924 1.00 53.03 C ATOM 0 H VAL A 66 6.330 9.796 10.157 1.00 31.11 H new ATOM 0 HA VAL A 66 5.870 7.750 12.268 1.00 12.31 H new ATOM 0 HB VAL A 66 4.747 7.850 9.424 1.00 14.33 H new ATOM 0 HG11 VAL A 66 3.159 6.129 10.214 1.00 25.21 H new ATOM 0 HG12 VAL A 66 4.852 5.592 10.336 1.00 25.21 H new ATOM 0 HG13 VAL A 66 3.976 6.112 11.795 1.00 25.21 H new ATOM 0 HG21 VAL A 66 2.569 8.548 10.413 1.00 53.03 H new ATOM 0 HG22 VAL A 66 3.354 8.710 12.002 1.00 53.03 H new ATOM 0 HG23 VAL A 66 3.836 9.773 10.658 1.00 53.03 H new ATOM 1036 N ASP A 67 7.764 6.348 11.356 1.00 62.24 N ATOM 1037 CA ASP A 67 8.908 5.540 10.874 1.00 64.44 C ATOM 1038 C ASP A 67 8.391 4.278 10.182 1.00 23.10 C ATOM 1039 O ASP A 67 7.746 3.440 10.819 1.00 2.34 O ATOM 1040 CB ASP A 67 9.854 5.139 12.036 1.00 30.11 C ATOM 1041 CG ASP A 67 10.522 6.346 12.704 1.00 72.42 C ATOM 1042 OD1 ASP A 67 11.431 6.951 12.095 1.00 62.50 O ATOM 1043 OD2 ASP A 67 10.125 6.711 13.834 1.00 3.32 O ATOM 0 H ASP A 67 7.544 6.202 12.341 1.00 62.24 H new ATOM 0 HA ASP A 67 9.475 6.149 10.170 1.00 64.44 H new ATOM 0 HB2 ASP A 67 9.288 4.583 12.784 1.00 30.11 H new ATOM 0 HB3 ASP A 67 10.624 4.468 11.656 1.00 30.11 H new ATOM 1048 N LEU A 68 8.670 4.148 8.881 1.00 23.23 N ATOM 1049 CA LEU A 68 8.254 2.982 8.080 1.00 65.53 C ATOM 1050 C LEU A 68 9.487 2.332 7.436 1.00 32.12 C ATOM 1051 O LEU A 68 10.609 2.853 7.543 1.00 24.33 O ATOM 1052 CB LEU A 68 7.224 3.409 7.000 1.00 2.25 C ATOM 1053 CG LEU A 68 5.967 4.187 7.516 1.00 45.44 C ATOM 1054 CD1 LEU A 68 5.115 4.696 6.350 1.00 14.23 C ATOM 1055 CD2 LEU A 68 5.125 3.332 8.489 1.00 3.22 C ATOM 0 H LEU A 68 9.190 4.846 8.349 1.00 23.23 H new ATOM 0 HA LEU A 68 7.774 2.251 8.731 1.00 65.53 H new ATOM 0 HB2 LEU A 68 7.735 4.032 6.266 1.00 2.25 H new ATOM 0 HB3 LEU A 68 6.884 2.515 6.478 1.00 2.25 H new ATOM 0 HG LEU A 68 6.327 5.053 8.072 1.00 45.44 H new ATOM 0 HD11 LEU A 68 4.249 5.232 6.739 1.00 14.23 H new ATOM 0 HD12 LEU A 68 5.710 5.368 5.731 1.00 14.23 H new ATOM 0 HD13 LEU A 68 4.779 3.851 5.749 1.00 14.23 H new ATOM 0 HD21 LEU A 68 4.262 3.907 8.825 1.00 3.22 H new ATOM 0 HD22 LEU A 68 4.785 2.430 7.980 1.00 3.22 H new ATOM 0 HD23 LEU A 68 5.734 3.055 9.350 1.00 3.22 H new ATOM 1067 N GLU A 69 9.263 1.183 6.779 1.00 52.21 N ATOM 1068 CA GLU A 69 10.313 0.442 6.061 1.00 51.03 C ATOM 1069 C GLU A 69 10.652 1.138 4.725 1.00 20.55 C ATOM 1070 O GLU A 69 9.822 1.873 4.154 1.00 71.12 O ATOM 1071 CB GLU A 69 9.842 -1.021 5.791 1.00 71.24 C ATOM 1072 CG GLU A 69 8.684 -1.140 4.759 1.00 43.53 C ATOM 1073 CD GLU A 69 8.088 -2.552 4.627 1.00 42.30 C ATOM 1074 OE1 GLU A 69 8.846 -3.497 4.375 1.00 4.42 O ATOM 1075 OE2 GLU A 69 6.855 -2.711 4.765 1.00 21.32 O ATOM 0 H GLU A 69 8.345 0.740 6.730 1.00 52.21 H new ATOM 0 HA GLU A 69 11.209 0.423 6.681 1.00 51.03 H new ATOM 0 HB2 GLU A 69 10.691 -1.604 5.435 1.00 71.24 H new ATOM 0 HB3 GLU A 69 9.521 -1.467 6.733 1.00 71.24 H new ATOM 0 HG2 GLU A 69 7.890 -0.449 5.042 1.00 43.53 H new ATOM 0 HG3 GLU A 69 9.050 -0.821 3.783 1.00 43.53 H new ATOM 1082 N THR A 70 11.884 0.927 4.260 1.00 34.11 N ATOM 1083 CA THR A 70 12.296 1.266 2.889 1.00 70.13 C ATOM 1084 C THR A 70 12.816 -0.001 2.183 1.00 23.21 C ATOM 1085 O THR A 70 12.921 -1.075 2.802 1.00 60.11 O ATOM 1086 CB THR A 70 13.373 2.404 2.875 1.00 52.45 C ATOM 1087 OG1 THR A 70 13.595 2.869 1.534 1.00 52.03 O ATOM 1088 CG2 THR A 70 14.706 1.940 3.484 1.00 51.13 C ATOM 0 H THR A 70 12.629 0.515 4.822 1.00 34.11 H new ATOM 0 HA THR A 70 11.429 1.646 2.348 1.00 70.13 H new ATOM 0 HB THR A 70 12.986 3.219 3.486 1.00 52.45 H new ATOM 0 HG1 THR A 70 14.269 3.581 1.542 1.00 52.03 H new ATOM 0 HG21 THR A 70 15.424 2.759 3.454 1.00 51.13 H new ATOM 0 HG22 THR A 70 14.547 1.634 4.518 1.00 51.13 H new ATOM 0 HG23 THR A 70 15.094 1.097 2.912 1.00 51.13 H new ATOM 1096 N SER A 71 13.140 0.158 0.891 1.00 44.31 N ATOM 1097 CA SER A 71 13.562 -0.933 0.011 1.00 33.14 C ATOM 1098 C SER A 71 14.820 -1.662 0.527 1.00 51.44 C ATOM 1099 O SER A 71 14.823 -2.882 0.591 1.00 54.31 O ATOM 1100 CB SER A 71 13.790 -0.390 -1.409 1.00 2.12 C ATOM 1101 OG SER A 71 12.640 0.299 -1.882 1.00 61.43 O ATOM 0 H SER A 71 13.114 1.065 0.424 1.00 44.31 H new ATOM 0 HA SER A 71 12.763 -1.674 -0.003 1.00 33.14 H new ATOM 0 HB2 SER A 71 14.648 0.282 -1.412 1.00 2.12 H new ATOM 0 HB3 SER A 71 14.028 -1.213 -2.083 1.00 2.12 H new ATOM 0 HG SER A 71 12.271 -0.174 -2.657 1.00 61.43 H new ATOM 1107 N ASP A 72 15.881 -0.910 0.890 1.00 62.24 N ATOM 1108 CA ASP A 72 17.156 -1.485 1.393 1.00 35.30 C ATOM 1109 C ASP A 72 17.155 -1.686 2.923 1.00 52.03 C ATOM 1110 O ASP A 72 17.999 -1.119 3.629 1.00 25.31 O ATOM 1111 CB ASP A 72 18.359 -0.595 0.961 1.00 64.44 C ATOM 1112 CG ASP A 72 18.554 -0.563 -0.556 1.00 31.52 C ATOM 1113 OD1 ASP A 72 19.058 -1.555 -1.117 1.00 5.55 O ATOM 1114 OD2 ASP A 72 18.185 0.442 -1.201 1.00 3.32 O ATOM 0 H ASP A 72 15.883 0.109 0.845 1.00 62.24 H new ATOM 0 HA ASP A 72 17.259 -2.473 0.945 1.00 35.30 H new ATOM 0 HB2 ASP A 72 18.204 0.421 1.325 1.00 64.44 H new ATOM 0 HB3 ASP A 72 19.269 -0.967 1.433 1.00 64.44 H new ATOM 1119 N ASP A 73 16.160 -2.453 3.419 1.00 33.32 N ATOM 1120 CA ASP A 73 16.097 -3.022 4.809 1.00 34.40 C ATOM 1121 C ASP A 73 16.238 -2.011 5.962 1.00 33.31 C ATOM 1122 O ASP A 73 16.311 -2.408 7.127 1.00 44.04 O ATOM 1123 CB ASP A 73 17.076 -4.243 4.987 1.00 75.10 C ATOM 1124 CG ASP A 73 18.578 -3.910 4.916 1.00 42.42 C ATOM 1125 OD1 ASP A 73 19.117 -3.334 5.880 1.00 42.40 O ATOM 1126 OD2 ASP A 73 19.228 -4.213 3.889 1.00 75.01 O ATOM 0 H ASP A 73 15.348 -2.709 2.857 1.00 33.32 H new ATOM 0 HA ASP A 73 15.070 -3.376 4.895 1.00 34.40 H new ATOM 0 HB2 ASP A 73 16.872 -4.712 5.950 1.00 75.10 H new ATOM 0 HB3 ASP A 73 16.850 -4.982 4.218 1.00 75.10 H new ATOM 1131 N ARG A 74 16.177 -0.718 5.645 1.00 3.31 N ATOM 1132 CA ARG A 74 16.472 0.365 6.592 1.00 10.33 C ATOM 1133 C ARG A 74 15.141 0.925 7.142 1.00 71.43 C ATOM 1134 O ARG A 74 14.058 0.587 6.636 1.00 31.20 O ATOM 1135 CB ARG A 74 17.346 1.426 5.847 1.00 31.32 C ATOM 1136 CG ARG A 74 17.953 2.556 6.711 1.00 12.35 C ATOM 1137 CD ARG A 74 19.035 3.341 5.959 1.00 53.55 C ATOM 1138 NE ARG A 74 20.153 2.462 5.553 1.00 64.13 N ATOM 1139 CZ ARG A 74 20.964 2.665 4.503 1.00 74.34 C ATOM 1140 NH1 ARG A 74 20.806 3.731 3.721 1.00 33.04 N ATOM 1141 NH2 ARG A 74 21.919 1.780 4.228 1.00 24.21 N ATOM 0 H ARG A 74 15.919 -0.386 4.716 1.00 3.31 H new ATOM 0 HA ARG A 74 17.040 0.022 7.457 1.00 10.33 H new ATOM 0 HB2 ARG A 74 18.162 0.904 5.347 1.00 31.32 H new ATOM 0 HB3 ARG A 74 16.736 1.883 5.068 1.00 31.32 H new ATOM 0 HG2 ARG A 74 17.162 3.238 7.023 1.00 12.35 H new ATOM 0 HG3 ARG A 74 18.381 2.128 7.618 1.00 12.35 H new ATOM 0 HD2 ARG A 74 18.600 3.810 5.077 1.00 53.55 H new ATOM 0 HD3 ARG A 74 19.412 4.143 6.593 1.00 53.55 H new ATOM 0 HE ARG A 74 20.322 1.631 6.119 1.00 64.13 H new ATOM 0 HH11 ARG A 74 20.064 4.402 3.918 1.00 33.04 H new ATOM 0 HH12 ARG A 74 21.427 3.876 2.925 1.00 33.04 H new ATOM 0 HH21 ARG A 74 22.032 0.953 4.814 1.00 24.21 H new ATOM 0 HH22 ARG A 74 22.538 1.929 3.431 1.00 24.21 H new ATOM 1155 N THR A 75 15.227 1.791 8.156 1.00 22.40 N ATOM 1156 CA THR A 75 14.061 2.402 8.799 1.00 11.10 C ATOM 1157 C THR A 75 14.203 3.903 8.581 1.00 64.43 C ATOM 1158 O THR A 75 15.241 4.482 8.922 1.00 20.11 O ATOM 1159 CB THR A 75 13.974 2.074 10.326 1.00 63.21 C ATOM 1160 OG1 THR A 75 13.952 0.647 10.501 1.00 0.35 O ATOM 1161 CG2 THR A 75 12.719 2.696 10.980 1.00 33.14 C ATOM 0 H THR A 75 16.116 2.090 8.557 1.00 22.40 H new ATOM 0 HA THR A 75 13.143 2.007 8.365 1.00 11.10 H new ATOM 0 HB THR A 75 14.848 2.505 10.815 1.00 63.21 H new ATOM 0 HG1 THR A 75 13.899 0.435 11.456 1.00 0.35 H new ATOM 0 HG21 THR A 75 12.698 2.443 12.040 1.00 33.14 H new ATOM 0 HG22 THR A 75 12.748 3.780 10.866 1.00 33.14 H new ATOM 0 HG23 THR A 75 11.824 2.304 10.496 1.00 33.14 H new ATOM 1169 N VAL A 76 13.179 4.516 7.994 1.00 40.04 N ATOM 1170 CA VAL A 76 13.241 5.912 7.539 1.00 51.05 C ATOM 1171 C VAL A 76 11.976 6.660 7.962 1.00 21.33 C ATOM 1172 O VAL A 76 10.882 6.087 8.033 1.00 70.04 O ATOM 1173 CB VAL A 76 13.478 6.035 5.977 1.00 55.44 C ATOM 1174 CG1 VAL A 76 14.923 5.627 5.586 1.00 14.45 C ATOM 1175 CG2 VAL A 76 12.445 5.209 5.184 1.00 64.33 C ATOM 0 H VAL A 76 12.282 4.064 7.818 1.00 40.04 H new ATOM 0 HA VAL A 76 14.105 6.372 8.019 1.00 51.05 H new ATOM 0 HB VAL A 76 13.344 7.084 5.714 1.00 55.44 H new ATOM 0 HG11 VAL A 76 15.049 5.724 4.508 1.00 14.45 H new ATOM 0 HG12 VAL A 76 15.635 6.277 6.094 1.00 14.45 H new ATOM 0 HG13 VAL A 76 15.101 4.593 5.881 1.00 14.45 H new ATOM 0 HG21 VAL A 76 12.636 5.316 4.116 1.00 64.33 H new ATOM 0 HG22 VAL A 76 12.527 4.159 5.464 1.00 64.33 H new ATOM 0 HG23 VAL A 76 11.441 5.568 5.410 1.00 64.33 H new ATOM 1185 N ARG A 77 12.176 7.943 8.253 1.00 43.30 N ATOM 1186 CA ARG A 77 11.141 8.878 8.673 1.00 0.01 C ATOM 1187 C ARG A 77 10.241 9.198 7.464 1.00 33.14 C ATOM 1188 O ARG A 77 10.736 9.575 6.397 1.00 20.45 O ATOM 1189 CB ARG A 77 11.856 10.154 9.243 1.00 40.41 C ATOM 1190 CG ARG A 77 10.978 11.252 9.912 1.00 5.32 C ATOM 1191 CD ARG A 77 10.136 12.097 8.928 1.00 62.02 C ATOM 1192 NE ARG A 77 10.904 12.510 7.736 1.00 30.44 N ATOM 1193 CZ ARG A 77 11.301 13.757 7.453 1.00 75.55 C ATOM 1194 NH1 ARG A 77 11.012 14.773 8.256 1.00 3.53 N ATOM 1195 NH2 ARG A 77 11.996 13.979 6.356 1.00 50.22 N ATOM 0 H ARG A 77 13.099 8.374 8.200 1.00 43.30 H new ATOM 0 HA ARG A 77 10.502 8.462 9.452 1.00 0.01 H new ATOM 0 HB2 ARG A 77 12.592 9.824 9.976 1.00 40.41 H new ATOM 0 HB3 ARG A 77 12.407 10.620 8.426 1.00 40.41 H new ATOM 0 HG2 ARG A 77 10.307 10.775 10.626 1.00 5.32 H new ATOM 0 HG3 ARG A 77 11.626 11.920 10.480 1.00 5.32 H new ATOM 0 HD2 ARG A 77 9.265 11.522 8.614 1.00 62.02 H new ATOM 0 HD3 ARG A 77 9.764 12.984 9.442 1.00 62.02 H new ATOM 0 HE ARG A 77 11.154 11.780 7.069 1.00 30.44 H new ATOM 0 HH11 ARG A 77 10.477 14.612 9.109 1.00 3.53 H new ATOM 0 HH12 ARG A 77 11.325 15.715 8.020 1.00 3.53 H new ATOM 0 HH21 ARG A 77 12.226 13.205 5.733 1.00 50.22 H new ATOM 0 HH22 ARG A 77 12.304 14.925 6.130 1.00 50.22 H new ATOM 1209 N TYR A 78 8.935 9.010 7.642 1.00 74.42 N ATOM 1210 CA TYR A 78 7.891 9.476 6.713 1.00 65.14 C ATOM 1211 C TYR A 78 7.101 10.613 7.383 1.00 13.32 C ATOM 1212 O TYR A 78 6.996 10.672 8.606 1.00 63.21 O ATOM 1213 CB TYR A 78 6.938 8.319 6.321 1.00 64.11 C ATOM 1214 CG TYR A 78 7.496 7.327 5.284 1.00 12.45 C ATOM 1215 CD1 TYR A 78 8.556 6.474 5.582 1.00 74.02 C ATOM 1216 CD2 TYR A 78 6.933 7.232 4.007 1.00 50.31 C ATOM 1217 CE1 TYR A 78 9.026 5.568 4.649 1.00 31.41 C ATOM 1218 CE2 TYR A 78 7.402 6.328 3.078 1.00 62.31 C ATOM 1219 CZ TYR A 78 8.448 5.495 3.402 1.00 51.43 C ATOM 1220 OH TYR A 78 8.918 4.585 2.478 1.00 14.14 O ATOM 0 H TYR A 78 8.558 8.519 8.453 1.00 74.42 H new ATOM 0 HA TYR A 78 8.363 9.840 5.800 1.00 65.14 H new ATOM 0 HB2 TYR A 78 6.675 7.766 7.223 1.00 64.11 H new ATOM 0 HB3 TYR A 78 6.015 8.748 5.929 1.00 64.11 H new ATOM 0 HD1 TYR A 78 9.018 6.521 6.557 1.00 74.02 H new ATOM 0 HD2 TYR A 78 6.112 7.882 3.743 1.00 50.31 H new ATOM 0 HE1 TYR A 78 9.849 4.916 4.900 1.00 31.41 H new ATOM 0 HE2 TYR A 78 6.950 6.274 2.099 1.00 62.31 H new ATOM 0 HH TYR A 78 9.212 3.772 2.940 1.00 14.14 H new ATOM 1230 N LEU A 79 6.579 11.524 6.570 1.00 62.24 N ATOM 1231 CA LEU A 79 5.735 12.636 7.017 1.00 11.01 C ATOM 1232 C LEU A 79 4.289 12.366 6.615 1.00 44.12 C ATOM 1233 O LEU A 79 4.009 12.066 5.443 1.00 53.10 O ATOM 1234 CB LEU A 79 6.245 13.965 6.401 1.00 71.51 C ATOM 1235 CG LEU A 79 7.616 14.460 6.955 1.00 14.43 C ATOM 1236 CD1 LEU A 79 8.163 15.642 6.141 1.00 40.13 C ATOM 1237 CD2 LEU A 79 7.504 14.818 8.457 1.00 32.33 C ATOM 0 H LEU A 79 6.731 11.514 5.561 1.00 62.24 H new ATOM 0 HA LEU A 79 5.784 12.725 8.102 1.00 11.01 H new ATOM 0 HB2 LEU A 79 6.329 13.840 5.322 1.00 71.51 H new ATOM 0 HB3 LEU A 79 5.498 14.740 6.575 1.00 71.51 H new ATOM 0 HG LEU A 79 8.329 13.642 6.853 1.00 14.43 H new ATOM 0 HD11 LEU A 79 9.119 15.959 6.557 1.00 40.13 H new ATOM 0 HD12 LEU A 79 8.302 15.336 5.104 1.00 40.13 H new ATOM 0 HD13 LEU A 79 7.456 16.471 6.183 1.00 40.13 H new ATOM 0 HD21 LEU A 79 8.472 15.161 8.822 1.00 32.33 H new ATOM 0 HD22 LEU A 79 6.766 15.609 8.588 1.00 32.33 H new ATOM 0 HD23 LEU A 79 7.195 13.937 9.019 1.00 32.33 H new ATOM 1249 N HIS A 80 3.383 12.469 7.600 1.00 21.31 N ATOM 1250 CA HIS A 80 1.963 12.186 7.413 1.00 14.31 C ATOM 1251 C HIS A 80 1.271 13.401 6.791 1.00 12.33 C ATOM 1252 O HIS A 80 0.905 14.361 7.477 1.00 14.30 O ATOM 1253 CB HIS A 80 1.340 11.812 8.774 1.00 44.30 C ATOM 1254 CG HIS A 80 -0.139 11.567 8.738 1.00 41.53 C ATOM 1255 ND1 HIS A 80 -0.970 12.077 9.699 1.00 12.23 N ATOM 1256 CD2 HIS A 80 -0.870 10.857 7.855 1.00 24.34 C ATOM 1257 CE1 HIS A 80 -2.176 11.671 9.376 1.00 13.44 C ATOM 1258 NE2 HIS A 80 -2.162 10.932 8.265 1.00 31.23 N ATOM 0 H HIS A 80 3.622 12.753 8.550 1.00 21.31 H new ATOM 0 HA HIS A 80 1.831 11.345 6.732 1.00 14.31 H new ATOM 0 HB2 HIS A 80 1.834 10.917 9.151 1.00 44.30 H new ATOM 0 HB3 HIS A 80 1.545 12.613 9.485 1.00 44.30 H new ATOM 0 HD2 HIS A 80 -0.499 10.330 6.988 1.00 24.34 H new ATOM 0 HE1 HIS A 80 -3.067 11.906 9.939 1.00 13.44 H new ATOM 0 HE2 HIS A 80 -2.969 10.505 7.810 1.00 31.23 H new ATOM 1266 N VAL A 81 1.082 13.332 5.480 1.00 10.40 N ATOM 1267 CA VAL A 81 0.559 14.452 4.687 1.00 74.44 C ATOM 1268 C VAL A 81 -0.961 14.369 4.498 1.00 40.14 C ATOM 1269 O VAL A 81 -1.618 15.402 4.382 1.00 23.45 O ATOM 1270 CB VAL A 81 1.299 14.530 3.309 1.00 11.13 C ATOM 1271 CG1 VAL A 81 2.803 14.831 3.528 1.00 55.21 C ATOM 1272 CG2 VAL A 81 1.094 13.231 2.481 1.00 43.22 C ATOM 0 H VAL A 81 1.286 12.498 4.929 1.00 10.40 H new ATOM 0 HA VAL A 81 0.753 15.370 5.241 1.00 74.44 H new ATOM 0 HB VAL A 81 0.866 15.347 2.732 1.00 11.13 H new ATOM 0 HG11 VAL A 81 3.308 14.883 2.563 1.00 55.21 H new ATOM 0 HG12 VAL A 81 2.912 15.784 4.046 1.00 55.21 H new ATOM 0 HG13 VAL A 81 3.249 14.038 4.129 1.00 55.21 H new ATOM 0 HG21 VAL A 81 1.621 13.318 1.531 1.00 43.22 H new ATOM 0 HG22 VAL A 81 1.487 12.380 3.037 1.00 43.22 H new ATOM 0 HG23 VAL A 81 0.030 13.083 2.294 1.00 43.22 H new ATOM 1282 N ALA A 82 -1.524 13.149 4.490 1.00 12.11 N ATOM 1283 CA ALA A 82 -2.973 12.953 4.251 1.00 71.40 C ATOM 1284 C ALA A 82 -3.505 11.718 4.984 1.00 42.23 C ATOM 1285 O ALA A 82 -2.736 10.870 5.402 1.00 21.13 O ATOM 1286 CB ALA A 82 -3.258 12.853 2.736 1.00 13.12 C ATOM 0 H ALA A 82 -1.005 12.285 4.645 1.00 12.11 H new ATOM 0 HA ALA A 82 -3.497 13.821 4.651 1.00 71.40 H new ATOM 0 HB1 ALA A 82 -4.326 12.709 2.575 1.00 13.12 H new ATOM 0 HB2 ALA A 82 -2.938 13.771 2.244 1.00 13.12 H new ATOM 0 HB3 ALA A 82 -2.711 12.008 2.318 1.00 13.12 H new ATOM 1292 N THR A 83 -4.836 11.657 5.144 1.00 34.32 N ATOM 1293 CA THR A 83 -5.553 10.481 5.657 1.00 53.33 C ATOM 1294 C THR A 83 -6.753 10.224 4.743 1.00 33.43 C ATOM 1295 O THR A 83 -7.546 11.131 4.471 1.00 42.54 O ATOM 1296 CB THR A 83 -6.035 10.670 7.134 1.00 21.41 C ATOM 1297 OG1 THR A 83 -4.910 10.941 7.972 1.00 50.34 O ATOM 1298 CG2 THR A 83 -6.776 9.428 7.675 1.00 75.55 C ATOM 0 H THR A 83 -5.454 12.436 4.917 1.00 34.32 H new ATOM 0 HA THR A 83 -4.871 9.631 5.660 1.00 53.33 H new ATOM 0 HB THR A 83 -6.735 11.506 7.142 1.00 21.41 H new ATOM 0 HG1 THR A 83 -4.868 11.901 8.163 1.00 50.34 H new ATOM 0 HG21 THR A 83 -7.089 9.610 8.703 1.00 75.55 H new ATOM 0 HG22 THR A 83 -7.652 9.230 7.058 1.00 75.55 H new ATOM 0 HG23 THR A 83 -6.110 8.566 7.646 1.00 75.55 H new ATOM 1306 N LEU A 84 -6.873 8.986 4.279 1.00 44.03 N ATOM 1307 CA LEU A 84 -7.884 8.577 3.306 1.00 21.52 C ATOM 1308 C LEU A 84 -8.996 7.857 4.080 1.00 71.42 C ATOM 1309 O LEU A 84 -8.841 6.694 4.447 1.00 72.34 O ATOM 1310 CB LEU A 84 -7.226 7.656 2.227 1.00 24.12 C ATOM 1311 CG LEU A 84 -5.820 8.116 1.691 1.00 65.44 C ATOM 1312 CD1 LEU A 84 -5.251 7.124 0.660 1.00 71.53 C ATOM 1313 CD2 LEU A 84 -5.855 9.555 1.124 1.00 20.53 C ATOM 0 H LEU A 84 -6.261 8.224 4.572 1.00 44.03 H new ATOM 0 HA LEU A 84 -8.309 9.431 2.779 1.00 21.52 H new ATOM 0 HB2 LEU A 84 -7.123 6.655 2.646 1.00 24.12 H new ATOM 0 HB3 LEU A 84 -7.908 7.578 1.380 1.00 24.12 H new ATOM 0 HG LEU A 84 -5.146 8.124 2.548 1.00 65.44 H new ATOM 0 HD11 LEU A 84 -4.280 7.477 0.314 1.00 71.53 H new ATOM 0 HD12 LEU A 84 -5.137 6.144 1.123 1.00 71.53 H new ATOM 0 HD13 LEU A 84 -5.933 7.049 -0.187 1.00 71.53 H new ATOM 0 HD21 LEU A 84 -4.863 9.829 0.766 1.00 20.53 H new ATOM 0 HD22 LEU A 84 -6.565 9.604 0.298 1.00 20.53 H new ATOM 0 HD23 LEU A 84 -6.162 10.248 1.908 1.00 20.53 H new ATOM 1325 N SER A 85 -10.080 8.583 4.378 1.00 53.43 N ATOM 1326 CA SER A 85 -11.219 8.081 5.160 1.00 35.13 C ATOM 1327 C SER A 85 -12.246 7.402 4.242 1.00 4.54 C ATOM 1328 O SER A 85 -12.615 7.965 3.216 1.00 50.05 O ATOM 1329 CB SER A 85 -11.864 9.253 5.926 1.00 61.24 C ATOM 1330 OG SER A 85 -10.923 9.853 6.797 1.00 4.21 O ATOM 0 H SER A 85 -10.193 9.551 4.078 1.00 53.43 H new ATOM 0 HA SER A 85 -10.867 7.337 5.874 1.00 35.13 H new ATOM 0 HB2 SER A 85 -12.239 9.994 5.220 1.00 61.24 H new ATOM 0 HB3 SER A 85 -12.720 8.895 6.497 1.00 61.24 H new ATOM 0 HG SER A 85 -11.347 10.596 7.275 1.00 4.21 H new ATOM 1336 N PHE A 86 -12.717 6.208 4.637 1.00 5.32 N ATOM 1337 CA PHE A 86 -13.626 5.382 3.818 1.00 53.13 C ATOM 1338 C PHE A 86 -14.430 4.405 4.685 1.00 41.01 C ATOM 1339 O PHE A 86 -14.313 4.384 5.916 1.00 71.21 O ATOM 1340 CB PHE A 86 -12.826 4.599 2.725 1.00 5.23 C ATOM 1341 CG PHE A 86 -11.716 3.682 3.240 1.00 61.34 C ATOM 1342 CD1 PHE A 86 -10.440 4.184 3.487 1.00 31.42 C ATOM 1343 CD2 PHE A 86 -11.943 2.326 3.473 1.00 24.32 C ATOM 1344 CE1 PHE A 86 -9.434 3.368 3.949 1.00 2.40 C ATOM 1345 CE2 PHE A 86 -10.934 1.511 3.938 1.00 73.12 C ATOM 1346 CZ PHE A 86 -9.680 2.032 4.176 1.00 31.42 C ATOM 0 H PHE A 86 -12.479 5.786 5.534 1.00 5.32 H new ATOM 0 HA PHE A 86 -14.329 6.055 3.327 1.00 53.13 H new ATOM 0 HB2 PHE A 86 -13.529 3.998 2.148 1.00 5.23 H new ATOM 0 HB3 PHE A 86 -12.385 5.321 2.038 1.00 5.23 H new ATOM 0 HD1 PHE A 86 -10.238 5.231 3.313 1.00 31.42 H new ATOM 0 HD2 PHE A 86 -12.922 1.909 3.287 1.00 24.32 H new ATOM 0 HE1 PHE A 86 -8.451 3.775 4.134 1.00 2.40 H new ATOM 0 HE2 PHE A 86 -11.126 0.463 4.116 1.00 73.12 H new ATOM 0 HZ PHE A 86 -8.890 1.392 4.541 1.00 31.42 H new ATOM 1356 N ASP A 87 -15.242 3.600 4.000 1.00 13.22 N ATOM 1357 CA ASP A 87 -15.976 2.475 4.576 1.00 23.50 C ATOM 1358 C ASP A 87 -15.447 1.166 3.965 1.00 43.30 C ATOM 1359 O ASP A 87 -15.127 1.113 2.769 1.00 10.32 O ATOM 1360 CB ASP A 87 -17.489 2.635 4.306 1.00 74.43 C ATOM 1361 CG ASP A 87 -18.300 1.408 4.752 1.00 51.15 C ATOM 1362 OD1 ASP A 87 -18.466 1.206 5.974 1.00 1.02 O ATOM 1363 OD2 ASP A 87 -18.758 0.627 3.885 1.00 61.01 O ATOM 0 H ASP A 87 -15.412 3.716 3.001 1.00 13.22 H new ATOM 0 HA ASP A 87 -15.827 2.450 5.656 1.00 23.50 H new ATOM 0 HB2 ASP A 87 -17.856 3.519 4.828 1.00 74.43 H new ATOM 0 HB3 ASP A 87 -17.649 2.804 3.241 1.00 74.43 H new ATOM 1368 N LEU A 88 -15.360 0.133 4.795 1.00 75.10 N ATOM 1369 CA LEU A 88 -14.902 -1.207 4.406 1.00 72.40 C ATOM 1370 C LEU A 88 -15.477 -2.202 5.413 1.00 34.34 C ATOM 1371 O LEU A 88 -15.314 -1.991 6.605 1.00 42.55 O ATOM 1372 CB LEU A 88 -13.355 -1.292 4.419 1.00 4.24 C ATOM 1373 CG LEU A 88 -12.742 -2.691 4.065 1.00 5.32 C ATOM 1374 CD1 LEU A 88 -12.982 -3.064 2.583 1.00 1.23 C ATOM 1375 CD2 LEU A 88 -11.251 -2.754 4.432 1.00 32.12 C ATOM 0 H LEU A 88 -15.610 0.200 5.782 1.00 75.10 H new ATOM 0 HA LEU A 88 -15.239 -1.431 3.394 1.00 72.40 H new ATOM 0 HB2 LEU A 88 -12.964 -0.557 3.715 1.00 4.24 H new ATOM 0 HB3 LEU A 88 -13.003 -1.003 5.409 1.00 4.24 H new ATOM 0 HG LEU A 88 -13.260 -3.437 4.668 1.00 5.32 H new ATOM 0 HD11 LEU A 88 -12.542 -4.040 2.378 1.00 1.23 H new ATOM 0 HD12 LEU A 88 -14.053 -3.100 2.386 1.00 1.23 H new ATOM 0 HD13 LEU A 88 -12.520 -2.315 1.940 1.00 1.23 H new ATOM 0 HD21 LEU A 88 -10.854 -3.736 4.175 1.00 32.12 H new ATOM 0 HD22 LEU A 88 -10.708 -1.987 3.880 1.00 32.12 H new ATOM 0 HD23 LEU A 88 -11.132 -2.584 5.502 1.00 32.12 H new ATOM 1387 N ASP A 89 -16.185 -3.248 4.922 1.00 11.21 N ATOM 1388 CA ASP A 89 -16.786 -4.320 5.768 1.00 43.12 C ATOM 1389 C ASP A 89 -17.900 -3.751 6.691 1.00 2.10 C ATOM 1390 O ASP A 89 -18.343 -4.401 7.642 1.00 75.41 O ATOM 1391 CB ASP A 89 -15.668 -5.061 6.573 1.00 75.53 C ATOM 1392 CG ASP A 89 -16.139 -6.322 7.324 1.00 35.35 C ATOM 1393 OD1 ASP A 89 -16.616 -7.276 6.670 1.00 2.14 O ATOM 1394 OD2 ASP A 89 -15.999 -6.383 8.565 1.00 35.31 O ATOM 0 H ASP A 89 -16.359 -3.377 3.925 1.00 11.21 H new ATOM 0 HA ASP A 89 -17.267 -5.052 5.119 1.00 43.12 H new ATOM 0 HB2 ASP A 89 -14.870 -5.342 5.885 1.00 75.53 H new ATOM 0 HB3 ASP A 89 -15.238 -4.366 7.294 1.00 75.53 H new ATOM 1399 N GLY A 90 -18.408 -2.551 6.336 1.00 41.10 N ATOM 1400 CA GLY A 90 -19.413 -1.854 7.137 1.00 42.24 C ATOM 1401 C GLY A 90 -18.863 -1.109 8.347 1.00 12.14 C ATOM 1402 O GLY A 90 -19.634 -0.732 9.230 1.00 12.02 O ATOM 0 H GLY A 90 -18.130 -2.050 5.492 1.00 41.10 H new ATOM 0 HA2 GLY A 90 -19.937 -1.143 6.498 1.00 42.24 H new ATOM 0 HA3 GLY A 90 -20.151 -2.579 7.479 1.00 42.24 H new ATOM 1406 N GLU A 91 -17.537 -0.871 8.385 1.00 75.52 N ATOM 1407 CA GLU A 91 -16.879 -0.096 9.460 1.00 3.15 C ATOM 1408 C GLU A 91 -16.076 1.066 8.837 1.00 11.25 C ATOM 1409 O GLU A 91 -15.443 0.907 7.777 1.00 32.00 O ATOM 1410 CB GLU A 91 -15.957 -1.009 10.330 1.00 23.20 C ATOM 1411 CG GLU A 91 -14.854 -1.751 9.543 1.00 52.24 C ATOM 1412 CD GLU A 91 -13.821 -2.520 10.378 1.00 45.04 C ATOM 1413 OE1 GLU A 91 -13.565 -2.140 11.536 1.00 55.03 O ATOM 1414 OE2 GLU A 91 -13.211 -3.468 9.848 1.00 34.25 O ATOM 0 H GLU A 91 -16.891 -1.210 7.672 1.00 75.52 H new ATOM 0 HA GLU A 91 -17.645 0.313 10.119 1.00 3.15 H new ATOM 0 HB2 GLU A 91 -15.486 -0.398 11.100 1.00 23.20 H new ATOM 0 HB3 GLU A 91 -16.577 -1.745 10.842 1.00 23.20 H new ATOM 0 HG2 GLU A 91 -15.334 -2.453 8.862 1.00 52.24 H new ATOM 0 HG3 GLU A 91 -14.324 -1.023 8.929 1.00 52.24 H new ATOM 1421 N SER A 92 -16.138 2.242 9.488 1.00 62.42 N ATOM 1422 CA SER A 92 -15.400 3.440 9.077 1.00 4.32 C ATOM 1423 C SER A 92 -13.891 3.230 9.300 1.00 43.43 C ATOM 1424 O SER A 92 -13.406 3.271 10.435 1.00 3.54 O ATOM 1425 CB SER A 92 -15.911 4.672 9.869 1.00 14.15 C ATOM 1426 OG SER A 92 -15.330 5.881 9.405 1.00 15.35 O ATOM 0 H SER A 92 -16.709 2.384 10.321 1.00 62.42 H new ATOM 0 HA SER A 92 -15.567 3.621 8.015 1.00 4.32 H new ATOM 0 HB2 SER A 92 -16.996 4.734 9.782 1.00 14.15 H new ATOM 0 HB3 SER A 92 -15.683 4.543 10.927 1.00 14.15 H new ATOM 0 HG SER A 92 -15.679 6.633 9.928 1.00 15.35 H new ATOM 1432 N ARG A 93 -13.182 2.939 8.205 1.00 72.13 N ATOM 1433 CA ARG A 93 -11.727 2.699 8.203 1.00 32.55 C ATOM 1434 C ARG A 93 -11.013 3.854 7.499 1.00 65.43 C ATOM 1435 O ARG A 93 -11.543 4.417 6.550 1.00 45.01 O ATOM 1436 CB ARG A 93 -11.417 1.369 7.477 1.00 13.31 C ATOM 1437 CG ARG A 93 -11.979 0.092 8.136 1.00 31.00 C ATOM 1438 CD ARG A 93 -11.419 -0.167 9.553 1.00 52.43 C ATOM 1439 NE ARG A 93 -12.125 0.594 10.600 1.00 13.04 N ATOM 1440 CZ ARG A 93 -11.608 0.944 11.785 1.00 11.31 C ATOM 1441 NH1 ARG A 93 -10.363 0.615 12.102 1.00 65.25 N ATOM 1442 NH2 ARG A 93 -12.336 1.636 12.652 1.00 21.10 N ATOM 0 H ARG A 93 -13.604 2.861 7.280 1.00 72.13 H new ATOM 0 HA ARG A 93 -11.373 2.635 9.232 1.00 32.55 H new ATOM 0 HB2 ARG A 93 -11.808 1.432 6.462 1.00 13.31 H new ATOM 0 HB3 ARG A 93 -10.335 1.266 7.396 1.00 13.31 H new ATOM 0 HG2 ARG A 93 -13.065 0.169 8.191 1.00 31.00 H new ATOM 0 HG3 ARG A 93 -11.752 -0.765 7.502 1.00 31.00 H new ATOM 0 HD2 ARG A 93 -11.489 -1.232 9.776 1.00 52.43 H new ATOM 0 HD3 ARG A 93 -10.361 0.094 9.573 1.00 52.43 H new ATOM 0 HE ARG A 93 -13.086 0.877 10.406 1.00 13.04 H new ATOM 0 HH11 ARG A 93 -9.790 0.091 11.441 1.00 65.25 H new ATOM 0 HH12 ARG A 93 -9.978 0.886 13.007 1.00 65.25 H new ATOM 0 HH21 ARG A 93 -13.292 1.903 12.417 1.00 21.10 H new ATOM 0 HH22 ARG A 93 -11.940 1.901 13.554 1.00 21.10 H new ATOM 1456 N ASP A 94 -9.812 4.198 7.970 1.00 43.31 N ATOM 1457 CA ASP A 94 -8.975 5.238 7.341 1.00 72.32 C ATOM 1458 C ASP A 94 -7.521 4.767 7.222 1.00 71.43 C ATOM 1459 O ASP A 94 -6.959 4.228 8.170 1.00 73.44 O ATOM 1460 CB ASP A 94 -9.078 6.570 8.135 1.00 15.04 C ATOM 1461 CG ASP A 94 -8.660 6.445 9.615 1.00 61.33 C ATOM 1462 OD1 ASP A 94 -9.514 6.070 10.451 1.00 22.11 O ATOM 1463 OD2 ASP A 94 -7.491 6.731 9.952 1.00 21.23 O ATOM 0 H ASP A 94 -9.389 3.770 8.793 1.00 43.31 H new ATOM 0 HA ASP A 94 -9.345 5.420 6.332 1.00 72.32 H new ATOM 0 HB2 ASP A 94 -8.451 7.320 7.652 1.00 15.04 H new ATOM 0 HB3 ASP A 94 -10.105 6.933 8.086 1.00 15.04 H new ATOM 1468 N LEU A 95 -6.927 4.957 6.027 1.00 73.31 N ATOM 1469 CA LEU A 95 -5.506 4.649 5.766 1.00 4.23 C ATOM 1470 C LEU A 95 -4.743 5.949 5.566 1.00 53.15 C ATOM 1471 O LEU A 95 -5.135 6.779 4.755 1.00 72.24 O ATOM 1472 CB LEU A 95 -5.325 3.739 4.526 1.00 24.40 C ATOM 1473 CG LEU A 95 -5.979 2.329 4.606 1.00 34.42 C ATOM 1474 CD1 LEU A 95 -5.521 1.452 3.431 1.00 0.22 C ATOM 1475 CD2 LEU A 95 -5.713 1.645 5.961 1.00 43.10 C ATOM 0 H LEU A 95 -7.419 5.329 5.215 1.00 73.31 H new ATOM 0 HA LEU A 95 -5.115 4.107 6.627 1.00 4.23 H new ATOM 0 HB2 LEU A 95 -5.733 4.257 3.658 1.00 24.40 H new ATOM 0 HB3 LEU A 95 -4.257 3.612 4.348 1.00 24.40 H new ATOM 0 HG LEU A 95 -7.058 2.461 4.530 1.00 34.42 H new ATOM 0 HD11 LEU A 95 -5.989 0.471 3.505 1.00 0.22 H new ATOM 0 HD12 LEU A 95 -5.811 1.922 2.491 1.00 0.22 H new ATOM 0 HD13 LEU A 95 -4.437 1.340 3.461 1.00 0.22 H new ATOM 0 HD21 LEU A 95 -6.188 0.664 5.973 1.00 43.10 H new ATOM 0 HD22 LEU A 95 -4.639 1.530 6.106 1.00 43.10 H new ATOM 0 HD23 LEU A 95 -6.124 2.256 6.764 1.00 43.10 H new ATOM 1487 N HIS A 96 -3.635 6.101 6.275 1.00 74.24 N ATOM 1488 CA HIS A 96 -2.869 7.342 6.297 1.00 45.42 C ATOM 1489 C HIS A 96 -1.815 7.312 5.173 1.00 40.11 C ATOM 1490 O HIS A 96 -1.126 6.304 4.993 1.00 12.44 O ATOM 1491 CB HIS A 96 -2.215 7.506 7.687 1.00 5.41 C ATOM 1492 CG HIS A 96 -3.195 7.534 8.838 1.00 61.45 C ATOM 1493 ND1 HIS A 96 -3.431 8.678 9.552 1.00 20.05 N ATOM 1494 CD2 HIS A 96 -3.944 6.531 9.367 1.00 32.41 C ATOM 1495 CE1 HIS A 96 -4.302 8.352 10.484 1.00 62.41 C ATOM 1496 NE2 HIS A 96 -4.647 7.061 10.411 1.00 45.25 N ATOM 0 H HIS A 96 -3.238 5.363 6.856 1.00 74.24 H new ATOM 0 HA HIS A 96 -3.521 8.198 6.123 1.00 45.42 H new ATOM 0 HB2 HIS A 96 -1.512 6.687 7.844 1.00 5.41 H new ATOM 0 HB3 HIS A 96 -1.636 8.429 7.696 1.00 5.41 H new ATOM 0 HD1 HIS A 96 -3.016 9.596 9.394 1.00 20.05 H new ATOM 0 HD2 HIS A 96 -3.977 5.507 9.026 1.00 32.41 H new ATOM 0 HE1 HIS A 96 -4.691 9.042 11.218 1.00 62.41 H new ATOM 1504 N ALA A 97 -1.722 8.417 4.412 1.00 62.03 N ATOM 1505 CA ALA A 97 -0.816 8.560 3.257 1.00 74.04 C ATOM 1506 C ALA A 97 0.400 9.387 3.659 1.00 40.13 C ATOM 1507 O ALA A 97 0.255 10.476 4.242 1.00 40.34 O ATOM 1508 CB ALA A 97 -1.556 9.215 2.072 1.00 32.43 C ATOM 0 H ALA A 97 -2.284 9.251 4.585 1.00 62.03 H new ATOM 0 HA ALA A 97 -0.480 7.573 2.941 1.00 74.04 H new ATOM 0 HB1 ALA A 97 -0.874 9.314 1.227 1.00 32.43 H new ATOM 0 HB2 ALA A 97 -2.403 8.593 1.784 1.00 32.43 H new ATOM 0 HB3 ALA A 97 -1.914 10.202 2.367 1.00 32.43 H new ATOM 1514 N PHE A 98 1.601 8.864 3.358 1.00 21.52 N ATOM 1515 CA PHE A 98 2.871 9.486 3.747 1.00 2.11 C ATOM 1516 C PHE A 98 3.812 9.610 2.530 1.00 71.02 C ATOM 1517 O PHE A 98 3.491 9.174 1.419 1.00 25.00 O ATOM 1518 CB PHE A 98 3.598 8.646 4.844 1.00 2.20 C ATOM 1519 CG PHE A 98 2.721 7.994 5.908 1.00 12.23 C ATOM 1520 CD1 PHE A 98 2.371 8.674 7.063 1.00 70.32 C ATOM 1521 CD2 PHE A 98 2.267 6.688 5.758 1.00 44.31 C ATOM 1522 CE1 PHE A 98 1.600 8.072 8.031 1.00 53.03 C ATOM 1523 CE2 PHE A 98 1.498 6.087 6.729 1.00 60.23 C ATOM 1524 CZ PHE A 98 1.169 6.779 7.863 1.00 71.34 C ATOM 0 H PHE A 98 1.715 7.995 2.836 1.00 21.52 H new ATOM 0 HA PHE A 98 2.636 10.475 4.141 1.00 2.11 H new ATOM 0 HB2 PHE A 98 4.169 7.861 4.348 1.00 2.20 H new ATOM 0 HB3 PHE A 98 4.316 9.294 5.347 1.00 2.20 H new ATOM 0 HD1 PHE A 98 2.708 9.690 7.206 1.00 70.32 H new ATOM 0 HD2 PHE A 98 2.522 6.136 4.865 1.00 44.31 H new ATOM 0 HE1 PHE A 98 1.333 8.617 8.924 1.00 53.03 H new ATOM 0 HE2 PHE A 98 1.155 5.072 6.596 1.00 60.23 H new ATOM 0 HZ PHE A 98 0.569 6.307 8.627 1.00 71.34 H new ATOM 1534 N ARG A 99 4.975 10.219 2.792 1.00 61.03 N ATOM 1535 CA ARG A 99 6.161 10.194 1.914 1.00 11.14 C ATOM 1536 C ARG A 99 7.386 10.515 2.777 1.00 24.34 C ATOM 1537 O ARG A 99 7.236 11.186 3.794 1.00 4.30 O ATOM 1538 CB ARG A 99 6.052 11.203 0.746 1.00 61.41 C ATOM 1539 CG ARG A 99 5.921 12.706 1.157 1.00 3.05 C ATOM 1540 CD ARG A 99 4.540 13.281 0.852 1.00 50.03 C ATOM 1541 NE ARG A 99 4.192 13.187 -0.576 1.00 34.24 N ATOM 1542 CZ ARG A 99 3.129 13.762 -1.147 1.00 53.25 C ATOM 1543 NH1 ARG A 99 2.275 14.486 -0.429 1.00 73.43 N ATOM 1544 NH2 ARG A 99 2.927 13.609 -2.447 1.00 2.44 N ATOM 0 H ARG A 99 5.126 10.759 3.644 1.00 61.03 H new ATOM 0 HA ARG A 99 6.245 9.206 1.461 1.00 11.14 H new ATOM 0 HB2 ARG A 99 6.933 11.094 0.113 1.00 61.41 H new ATOM 0 HB3 ARG A 99 5.188 10.935 0.138 1.00 61.41 H new ATOM 0 HG2 ARG A 99 6.125 12.806 2.223 1.00 3.05 H new ATOM 0 HG3 ARG A 99 6.677 13.289 0.632 1.00 3.05 H new ATOM 0 HD2 ARG A 99 3.791 12.751 1.441 1.00 50.03 H new ATOM 0 HD3 ARG A 99 4.508 14.325 1.162 1.00 50.03 H new ATOM 0 HE ARG A 99 4.810 12.641 -1.176 1.00 34.24 H new ATOM 0 HH11 ARG A 99 2.427 14.609 0.572 1.00 73.43 H new ATOM 0 HH12 ARG A 99 1.469 14.918 -0.880 1.00 73.43 H new ATOM 0 HH21 ARG A 99 3.580 13.056 -3.003 1.00 2.44 H new ATOM 0 HH22 ARG A 99 2.119 14.044 -2.892 1.00 2.44 H new ATOM 1558 N GLN A 100 8.580 10.048 2.359 1.00 32.34 N ATOM 1559 CA GLN A 100 9.826 10.154 3.156 1.00 53.23 C ATOM 1560 C GLN A 100 10.099 11.596 3.658 1.00 2.11 C ATOM 1561 O GLN A 100 9.889 11.887 4.846 1.00 43.25 O ATOM 1562 CB GLN A 100 11.029 9.637 2.328 1.00 74.22 C ATOM 1563 CG GLN A 100 11.014 8.127 2.043 1.00 41.11 C ATOM 1564 CD GLN A 100 12.144 7.700 1.108 1.00 34.15 C ATOM 1565 OE1 GLN A 100 11.963 7.610 -0.108 1.00 43.21 O ATOM 1566 NE2 GLN A 100 13.337 7.526 1.656 1.00 43.14 N ATOM 0 H GLN A 100 8.711 9.586 1.459 1.00 32.34 H new ATOM 0 HA GLN A 100 9.693 9.533 4.042 1.00 53.23 H new ATOM 0 HB2 GLN A 100 11.055 10.171 1.378 1.00 74.22 H new ATOM 0 HB3 GLN A 100 11.949 9.883 2.858 1.00 74.22 H new ATOM 0 HG2 GLN A 100 11.098 7.582 2.983 1.00 41.11 H new ATOM 0 HG3 GLN A 100 10.056 7.853 1.600 1.00 41.11 H new ATOM 0 HE21 GLN A 100 13.451 7.608 2.666 1.00 43.14 H new ATOM 0 HE22 GLN A 100 14.142 7.310 1.068 1.00 43.14 H new ATOM 1575 N ALA A 101 10.540 12.495 2.757 1.00 64.43 N ATOM 1576 CA ALA A 101 10.873 13.881 3.132 1.00 31.51 C ATOM 1577 C ALA A 101 9.979 14.905 2.416 1.00 14.51 C ATOM 1578 O ALA A 101 9.007 15.398 2.992 1.00 52.01 O ATOM 1579 CB ALA A 101 12.371 14.140 2.869 1.00 71.01 C ATOM 0 H ALA A 101 10.673 12.286 1.768 1.00 64.43 H new ATOM 0 HA ALA A 101 10.678 14.008 4.197 1.00 31.51 H new ATOM 0 HB1 ALA A 101 12.617 15.165 3.146 1.00 71.01 H new ATOM 0 HB2 ALA A 101 12.969 13.450 3.463 1.00 71.01 H new ATOM 0 HB3 ALA A 101 12.586 13.989 1.811 1.00 71.01 H new ATOM 1585 N ALA A 102 10.281 15.196 1.133 1.00 75.34 N ATOM 1586 CA ALA A 102 9.667 16.325 0.403 1.00 60.44 C ATOM 1587 C ALA A 102 9.133 15.913 -0.981 1.00 71.15 C ATOM 1588 O ALA A 102 9.217 16.700 -1.937 1.00 73.31 O ATOM 1589 CB ALA A 102 10.706 17.463 0.294 1.00 22.24 C ATOM 0 H ALA A 102 10.950 14.661 0.579 1.00 75.34 H new ATOM 0 HA ALA A 102 8.797 16.671 0.961 1.00 60.44 H new ATOM 0 HB1 ALA A 102 10.269 18.305 -0.243 1.00 22.24 H new ATOM 0 HB2 ALA A 102 11.001 17.783 1.293 1.00 22.24 H new ATOM 0 HB3 ALA A 102 11.583 17.105 -0.246 1.00 22.24 H new ATOM 1595 N ASP A 103 8.546 14.703 -1.081 1.00 20.35 N ATOM 1596 CA ASP A 103 7.997 14.192 -2.361 1.00 65.32 C ATOM 1597 C ASP A 103 6.826 15.070 -2.841 1.00 73.35 C ATOM 1598 O ASP A 103 5.946 15.437 -2.055 1.00 64.54 O ATOM 1599 CB ASP A 103 7.523 12.717 -2.218 1.00 60.53 C ATOM 1600 CG ASP A 103 6.610 12.242 -3.372 1.00 24.13 C ATOM 1601 OD1 ASP A 103 7.123 11.957 -4.460 1.00 31.23 O ATOM 1602 OD2 ASP A 103 5.368 12.193 -3.202 1.00 43.03 O ATOM 0 H ASP A 103 8.438 14.061 -0.296 1.00 20.35 H new ATOM 0 HA ASP A 103 8.796 14.231 -3.101 1.00 65.32 H new ATOM 0 HB2 ASP A 103 8.397 12.067 -2.167 1.00 60.53 H new ATOM 0 HB3 ASP A 103 6.988 12.606 -1.275 1.00 60.53 H new ATOM 1607 N GLU A 104 6.838 15.385 -4.141 1.00 32.44 N ATOM 1608 CA GLU A 104 5.761 16.119 -4.837 1.00 23.42 C ATOM 1609 C GLU A 104 5.375 15.353 -6.119 1.00 10.55 C ATOM 1610 O GLU A 104 4.541 15.815 -6.903 1.00 62.24 O ATOM 1611 CB GLU A 104 6.216 17.571 -5.165 1.00 52.40 C ATOM 1612 CG GLU A 104 6.709 18.366 -3.937 1.00 30.11 C ATOM 1613 CD GLU A 104 7.091 19.819 -4.257 1.00 52.25 C ATOM 1614 OE1 GLU A 104 8.164 20.044 -4.846 1.00 44.51 O ATOM 1615 OE2 GLU A 104 6.320 20.738 -3.927 1.00 41.32 O ATOM 0 H GLU A 104 7.611 15.134 -4.757 1.00 32.44 H new ATOM 0 HA GLU A 104 4.887 16.188 -4.190 1.00 23.42 H new ATOM 0 HB2 GLU A 104 7.015 17.532 -5.905 1.00 52.40 H new ATOM 0 HB3 GLU A 104 5.384 18.107 -5.622 1.00 52.40 H new ATOM 0 HG2 GLU A 104 5.929 18.364 -3.176 1.00 30.11 H new ATOM 0 HG3 GLU A 104 7.573 17.858 -3.509 1.00 30.11 H new ATOM 1622 N SER A 105 5.967 14.148 -6.288 1.00 3.33 N ATOM 1623 CA SER A 105 5.786 13.283 -7.471 1.00 72.44 C ATOM 1624 C SER A 105 4.568 12.339 -7.300 1.00 11.23 C ATOM 1625 O SER A 105 4.481 11.307 -7.971 1.00 34.12 O ATOM 1626 CB SER A 105 7.085 12.475 -7.712 1.00 15.02 C ATOM 1627 OG SER A 105 8.218 13.326 -7.803 1.00 4.45 O ATOM 0 H SER A 105 6.594 13.745 -5.592 1.00 3.33 H new ATOM 0 HA SER A 105 5.584 13.909 -8.340 1.00 72.44 H new ATOM 0 HB2 SER A 105 7.228 11.763 -6.899 1.00 15.02 H new ATOM 0 HB3 SER A 105 6.989 11.896 -8.630 1.00 15.02 H new ATOM 0 HG SER A 105 9.022 12.786 -7.953 1.00 4.45 H new ATOM 1633 N ARG A 106 3.668 12.696 -6.349 1.00 64.13 N ATOM 1634 CA ARG A 106 2.350 12.039 -6.131 1.00 11.34 C ATOM 1635 C ARG A 106 2.487 10.688 -5.408 1.00 32.41 C ATOM 1636 O ARG A 106 1.492 9.976 -5.250 1.00 15.13 O ATOM 1637 CB ARG A 106 1.545 11.854 -7.472 1.00 32.03 C ATOM 1638 CG ARG A 106 1.262 13.138 -8.299 1.00 13.41 C ATOM 1639 CD ARG A 106 0.256 14.103 -7.640 1.00 31.32 C ATOM 1640 NE ARG A 106 0.820 14.836 -6.489 1.00 35.34 N ATOM 1641 CZ ARG A 106 1.136 16.141 -6.474 1.00 52.01 C ATOM 1642 NH1 ARG A 106 0.948 16.902 -7.547 1.00 50.42 N ATOM 1643 NH2 ARG A 106 1.638 16.689 -5.376 1.00 13.10 N ATOM 0 H ARG A 106 3.840 13.463 -5.699 1.00 64.13 H new ATOM 0 HA ARG A 106 1.786 12.714 -5.488 1.00 11.34 H new ATOM 0 HB2 ARG A 106 2.093 11.156 -8.104 1.00 32.03 H new ATOM 0 HB3 ARG A 106 0.590 11.385 -7.234 1.00 32.03 H new ATOM 0 HG2 ARG A 106 2.201 13.666 -8.463 1.00 13.41 H new ATOM 0 HG3 ARG A 106 0.883 12.849 -9.280 1.00 13.41 H new ATOM 0 HD2 ARG A 106 -0.091 14.820 -8.384 1.00 31.32 H new ATOM 0 HD3 ARG A 106 -0.616 13.539 -7.311 1.00 31.32 H new ATOM 0 HE ARG A 106 0.983 14.306 -5.633 1.00 35.34 H new ATOM 0 HH11 ARG A 106 0.559 16.496 -8.398 1.00 50.42 H new ATOM 0 HH12 ARG A 106 1.193 17.892 -7.520 1.00 50.42 H new ATOM 0 HH21 ARG A 106 1.784 16.119 -4.543 1.00 13.10 H new ATOM 0 HH22 ARG A 106 1.878 17.680 -5.365 1.00 13.10 H new ATOM 1657 N THR A 107 3.699 10.366 -4.919 1.00 51.53 N ATOM 1658 CA THR A 107 4.011 9.045 -4.363 1.00 5.20 C ATOM 1659 C THR A 107 3.440 8.926 -2.934 1.00 3.14 C ATOM 1660 O THR A 107 4.098 9.285 -1.947 1.00 13.20 O ATOM 1661 CB THR A 107 5.555 8.791 -4.388 1.00 22.22 C ATOM 1662 OG1 THR A 107 6.064 9.135 -5.687 1.00 63.53 O ATOM 1663 CG2 THR A 107 5.923 7.325 -4.075 1.00 2.32 C ATOM 0 H THR A 107 4.485 11.016 -4.900 1.00 51.53 H new ATOM 0 HA THR A 107 3.542 8.278 -4.979 1.00 5.20 H new ATOM 0 HB THR A 107 6.001 9.412 -3.611 1.00 22.22 H new ATOM 0 HG1 THR A 107 5.466 8.779 -6.377 1.00 63.53 H new ATOM 0 HG21 THR A 107 7.006 7.207 -4.106 1.00 2.32 H new ATOM 0 HG22 THR A 107 5.558 7.062 -3.082 1.00 2.32 H new ATOM 0 HG23 THR A 107 5.465 6.669 -4.815 1.00 2.32 H new ATOM 1671 N LEU A 108 2.169 8.492 -2.858 1.00 50.42 N ATOM 1672 CA LEU A 108 1.461 8.291 -1.590 1.00 72.14 C ATOM 1673 C LEU A 108 1.659 6.840 -1.139 1.00 75.31 C ATOM 1674 O LEU A 108 1.183 5.900 -1.792 1.00 41.02 O ATOM 1675 CB LEU A 108 -0.049 8.621 -1.742 1.00 53.43 C ATOM 1676 CG LEU A 108 -0.407 10.048 -2.259 1.00 35.42 C ATOM 1677 CD1 LEU A 108 -1.938 10.258 -2.291 1.00 11.01 C ATOM 1678 CD2 LEU A 108 0.299 11.144 -1.422 1.00 23.32 C ATOM 0 H LEU A 108 1.606 8.271 -3.679 1.00 50.42 H new ATOM 0 HA LEU A 108 1.867 8.965 -0.836 1.00 72.14 H new ATOM 0 HB2 LEU A 108 -0.489 7.892 -2.423 1.00 53.43 H new ATOM 0 HB3 LEU A 108 -0.527 8.481 -0.772 1.00 53.43 H new ATOM 0 HG LEU A 108 -0.040 10.134 -3.282 1.00 35.42 H new ATOM 0 HD11 LEU A 108 -2.160 11.261 -2.655 1.00 11.01 H new ATOM 0 HD12 LEU A 108 -2.392 9.522 -2.954 1.00 11.01 H new ATOM 0 HD13 LEU A 108 -2.343 10.139 -1.286 1.00 11.01 H new ATOM 0 HD21 LEU A 108 0.029 12.127 -1.808 1.00 23.32 H new ATOM 0 HD22 LEU A 108 -0.013 11.064 -0.381 1.00 23.32 H new ATOM 0 HD23 LEU A 108 1.379 11.013 -1.488 1.00 23.32 H new ATOM 1690 N PHE A 109 2.380 6.679 -0.036 1.00 33.05 N ATOM 1691 CA PHE A 109 2.701 5.373 0.534 1.00 55.44 C ATOM 1692 C PHE A 109 1.698 5.111 1.670 1.00 42.24 C ATOM 1693 O PHE A 109 1.743 5.794 2.699 1.00 43.52 O ATOM 1694 CB PHE A 109 4.169 5.399 1.044 1.00 22.10 C ATOM 1695 CG PHE A 109 4.739 4.039 1.459 1.00 44.22 C ATOM 1696 CD1 PHE A 109 5.135 3.106 0.496 1.00 74.23 C ATOM 1697 CD2 PHE A 109 4.909 3.703 2.804 1.00 22.23 C ATOM 1698 CE1 PHE A 109 5.678 1.889 0.870 1.00 61.43 C ATOM 1699 CE2 PHE A 109 5.449 2.484 3.174 1.00 34.02 C ATOM 1700 CZ PHE A 109 5.835 1.578 2.207 1.00 45.41 C ATOM 0 H PHE A 109 2.764 7.460 0.496 1.00 33.05 H new ATOM 0 HA PHE A 109 2.622 4.570 -0.199 1.00 55.44 H new ATOM 0 HB2 PHE A 109 4.802 5.817 0.261 1.00 22.10 H new ATOM 0 HB3 PHE A 109 4.229 6.076 1.896 1.00 22.10 H new ATOM 0 HD1 PHE A 109 5.016 3.338 -0.552 1.00 74.23 H new ATOM 0 HD2 PHE A 109 4.614 4.407 3.568 1.00 22.23 H new ATOM 0 HE1 PHE A 109 5.980 1.180 0.114 1.00 61.43 H new ATOM 0 HE2 PHE A 109 5.568 2.241 4.220 1.00 34.02 H new ATOM 0 HZ PHE A 109 6.259 0.627 2.495 1.00 45.41 H new ATOM 1710 N VAL A 110 0.762 4.165 1.454 1.00 40.13 N ATOM 1711 CA VAL A 110 -0.304 3.836 2.433 1.00 31.22 C ATOM 1712 C VAL A 110 -0.170 2.368 2.928 1.00 73.15 C ATOM 1713 O VAL A 110 -0.716 1.443 2.322 1.00 34.24 O ATOM 1714 CB VAL A 110 -1.768 4.112 1.864 1.00 72.42 C ATOM 1715 CG1 VAL A 110 -2.074 5.613 1.818 1.00 62.44 C ATOM 1716 CG2 VAL A 110 -1.980 3.500 0.462 1.00 25.03 C ATOM 0 H VAL A 110 0.720 3.607 0.601 1.00 40.13 H new ATOM 0 HA VAL A 110 -0.166 4.505 3.283 1.00 31.22 H new ATOM 0 HB VAL A 110 -2.458 3.625 2.554 1.00 72.42 H new ATOM 0 HG11 VAL A 110 -3.079 5.768 1.426 1.00 62.44 H new ATOM 0 HG12 VAL A 110 -2.009 6.029 2.824 1.00 62.44 H new ATOM 0 HG13 VAL A 110 -1.352 6.112 1.172 1.00 62.44 H new ATOM 0 HG21 VAL A 110 -2.992 3.716 0.120 1.00 25.03 H new ATOM 0 HG22 VAL A 110 -1.262 3.931 -0.235 1.00 25.03 H new ATOM 0 HG23 VAL A 110 -1.836 2.421 0.511 1.00 25.03 H new ATOM 1726 N PRO A 111 0.602 2.120 4.033 1.00 51.31 N ATOM 1727 CA PRO A 111 0.636 0.798 4.677 1.00 53.42 C ATOM 1728 C PRO A 111 -0.692 0.522 5.398 1.00 40.05 C ATOM 1729 O PRO A 111 -1.339 1.459 5.891 1.00 10.45 O ATOM 1730 CB PRO A 111 1.830 0.880 5.681 1.00 12.43 C ATOM 1731 CG PRO A 111 2.501 2.203 5.413 1.00 31.44 C ATOM 1732 CD PRO A 111 1.469 3.085 4.742 1.00 70.41 C ATOM 0 HA PRO A 111 0.766 -0.017 3.965 1.00 53.42 H new ATOM 0 HB2 PRO A 111 1.479 0.821 6.711 1.00 12.43 H new ATOM 0 HB3 PRO A 111 2.524 0.052 5.532 1.00 12.43 H new ATOM 0 HG2 PRO A 111 2.851 2.654 6.341 1.00 31.44 H new ATOM 0 HG3 PRO A 111 3.373 2.072 4.773 1.00 31.44 H new ATOM 0 HD2 PRO A 111 0.907 3.671 5.469 1.00 70.41 H new ATOM 0 HD3 PRO A 111 1.931 3.791 4.053 1.00 70.41 H new ATOM 1740 N PHE A 112 -1.101 -0.748 5.449 1.00 21.13 N ATOM 1741 CA PHE A 112 -2.292 -1.155 6.205 1.00 23.33 C ATOM 1742 C PHE A 112 -2.056 -2.531 6.820 1.00 12.43 C ATOM 1743 O PHE A 112 -1.448 -3.405 6.200 1.00 3.55 O ATOM 1744 CB PHE A 112 -3.576 -1.130 5.325 1.00 25.02 C ATOM 1745 CG PHE A 112 -3.750 -2.268 4.315 1.00 21.15 C ATOM 1746 CD1 PHE A 112 -3.124 -2.240 3.073 1.00 3.32 C ATOM 1747 CD2 PHE A 112 -4.567 -3.362 4.613 1.00 72.42 C ATOM 1748 CE1 PHE A 112 -3.318 -3.266 2.169 1.00 25.15 C ATOM 1749 CE2 PHE A 112 -4.753 -4.380 3.707 1.00 73.21 C ATOM 1750 CZ PHE A 112 -4.134 -4.331 2.487 1.00 74.12 C ATOM 0 H PHE A 112 -0.625 -1.515 4.975 1.00 21.13 H new ATOM 0 HA PHE A 112 -2.459 -0.435 7.006 1.00 23.33 H new ATOM 0 HB2 PHE A 112 -4.441 -1.131 5.988 1.00 25.02 H new ATOM 0 HB3 PHE A 112 -3.594 -0.187 4.779 1.00 25.02 H new ATOM 0 HD1 PHE A 112 -2.482 -1.411 2.814 1.00 3.32 H new ATOM 0 HD2 PHE A 112 -5.061 -3.409 5.572 1.00 72.42 H new ATOM 0 HE1 PHE A 112 -2.828 -3.234 1.207 1.00 25.15 H new ATOM 0 HE2 PHE A 112 -5.387 -5.218 3.958 1.00 73.21 H new ATOM 0 HZ PHE A 112 -4.285 -5.127 1.773 1.00 74.12 H new ATOM 1760 N ARG A 113 -2.540 -2.713 8.040 1.00 0.01 N ATOM 1761 CA ARG A 113 -2.400 -3.969 8.770 1.00 71.11 C ATOM 1762 C ARG A 113 -3.791 -4.429 9.203 1.00 44.45 C ATOM 1763 O ARG A 113 -4.420 -3.799 10.052 1.00 63.44 O ATOM 1764 CB ARG A 113 -1.456 -3.767 9.980 1.00 55.02 C ATOM 1765 CG ARG A 113 -1.217 -5.038 10.817 1.00 4.14 C ATOM 1766 CD ARG A 113 -0.252 -4.813 11.984 1.00 31.32 C ATOM 1767 NE ARG A 113 0.026 -6.072 12.694 1.00 52.22 N ATOM 1768 CZ ARG A 113 1.239 -6.516 13.037 1.00 2.54 C ATOM 1769 NH1 ARG A 113 2.328 -5.806 12.748 1.00 10.02 N ATOM 1770 NH2 ARG A 113 1.357 -7.677 13.657 1.00 51.42 N ATOM 0 H ARG A 113 -3.044 -1.991 8.556 1.00 0.01 H new ATOM 0 HA ARG A 113 -1.957 -4.740 8.139 1.00 71.11 H new ATOM 0 HB2 ARG A 113 -0.496 -3.398 9.619 1.00 55.02 H new ATOM 0 HB3 ARG A 113 -1.872 -2.994 10.626 1.00 55.02 H new ATOM 0 HG2 ARG A 113 -2.171 -5.395 11.205 1.00 4.14 H new ATOM 0 HG3 ARG A 113 -0.821 -5.822 10.172 1.00 4.14 H new ATOM 0 HD2 ARG A 113 0.680 -4.389 11.612 1.00 31.32 H new ATOM 0 HD3 ARG A 113 -0.678 -4.088 12.677 1.00 31.32 H new ATOM 0 HE ARG A 113 -0.773 -6.654 12.945 1.00 52.22 H new ATOM 0 HH11 ARG A 113 2.241 -4.914 12.260 1.00 10.02 H new ATOM 0 HH12 ARG A 113 3.249 -6.154 13.014 1.00 10.02 H new ATOM 0 HH21 ARG A 113 0.526 -8.228 13.871 1.00 51.42 H new ATOM 0 HH22 ARG A 113 2.280 -8.022 13.922 1.00 51.42 H new ATOM 1784 N ASP A 114 -4.271 -5.514 8.601 1.00 52.14 N ATOM 1785 CA ASP A 114 -5.626 -6.034 8.831 1.00 30.11 C ATOM 1786 C ASP A 114 -5.512 -7.464 9.392 1.00 15.12 C ATOM 1787 O ASP A 114 -4.437 -7.860 9.868 1.00 33.42 O ATOM 1788 CB ASP A 114 -6.446 -5.958 7.514 1.00 42.53 C ATOM 1789 CG ASP A 114 -5.992 -6.966 6.455 1.00 42.32 C ATOM 1790 OD1 ASP A 114 -4.934 -6.757 5.832 1.00 11.21 O ATOM 1791 OD2 ASP A 114 -6.685 -7.987 6.277 1.00 13.15 O ATOM 0 H ASP A 114 -3.731 -6.065 7.934 1.00 52.14 H new ATOM 0 HA ASP A 114 -6.162 -5.432 9.564 1.00 30.11 H new ATOM 0 HB2 ASP A 114 -7.499 -6.129 7.740 1.00 42.53 H new ATOM 0 HB3 ASP A 114 -6.368 -4.951 7.104 1.00 42.53 H new ATOM 1796 N LYS A 115 -6.599 -8.250 9.320 1.00 64.02 N ATOM 1797 CA LYS A 115 -6.660 -9.586 9.940 1.00 34.22 C ATOM 1798 C LYS A 115 -6.027 -10.689 9.068 1.00 3.45 C ATOM 1799 O LYS A 115 -6.057 -11.865 9.448 1.00 43.34 O ATOM 1800 CB LYS A 115 -8.110 -9.935 10.325 1.00 35.15 C ATOM 1801 CG LYS A 115 -8.830 -8.826 11.140 1.00 15.33 C ATOM 1802 CD LYS A 115 -10.049 -9.337 11.951 1.00 20.33 C ATOM 1803 CE LYS A 115 -9.692 -9.779 13.383 1.00 15.24 C ATOM 1804 NZ LYS A 115 -8.675 -10.865 13.432 1.00 63.21 N ATOM 0 H LYS A 115 -7.455 -7.981 8.834 1.00 64.02 H new ATOM 0 HA LYS A 115 -6.057 -9.542 10.847 1.00 34.22 H new ATOM 0 HB2 LYS A 115 -8.679 -10.132 9.417 1.00 35.15 H new ATOM 0 HB3 LYS A 115 -8.109 -10.857 10.907 1.00 35.15 H new ATOM 0 HG2 LYS A 115 -8.115 -8.369 11.825 1.00 15.33 H new ATOM 0 HG3 LYS A 115 -9.162 -8.044 10.457 1.00 15.33 H new ATOM 0 HD2 LYS A 115 -10.800 -8.548 11.999 1.00 20.33 H new ATOM 0 HD3 LYS A 115 -10.501 -10.176 11.422 1.00 20.33 H new ATOM 0 HE2 LYS A 115 -9.320 -8.918 13.939 1.00 15.24 H new ATOM 0 HE3 LYS A 115 -10.597 -10.117 13.887 1.00 15.24 H new ATOM 0 HZ1 LYS A 115 -8.518 -11.150 14.420 1.00 63.21 H new ATOM 0 HZ2 LYS A 115 -9.014 -11.683 12.886 1.00 63.21 H new ATOM 0 HZ3 LYS A 115 -7.782 -10.523 13.025 1.00 63.21 H new ATOM 1818 N THR A 116 -5.453 -10.320 7.899 1.00 54.35 N ATOM 1819 CA THR A 116 -4.596 -11.239 7.113 1.00 33.32 C ATOM 1820 C THR A 116 -3.319 -11.589 7.896 1.00 24.41 C ATOM 1821 O THR A 116 -2.686 -12.611 7.621 1.00 25.01 O ATOM 1822 CB THR A 116 -4.187 -10.646 5.724 1.00 21.33 C ATOM 1823 OG1 THR A 116 -3.555 -9.371 5.905 1.00 11.21 O ATOM 1824 CG2 THR A 116 -5.389 -10.502 4.775 1.00 41.44 C ATOM 0 H THR A 116 -5.567 -9.397 7.481 1.00 54.35 H new ATOM 0 HA THR A 116 -5.192 -12.135 6.937 1.00 33.32 H new ATOM 0 HB THR A 116 -3.489 -11.345 5.264 1.00 21.33 H new ATOM 0 HG1 THR A 116 -4.197 -8.657 5.709 1.00 11.21 H new ATOM 0 HG21 THR A 116 -5.054 -10.087 3.824 1.00 41.44 H new ATOM 0 HG22 THR A 116 -5.838 -11.481 4.605 1.00 41.44 H new ATOM 0 HG23 THR A 116 -6.128 -9.837 5.222 1.00 41.44 H new ATOM 1832 N THR A 117 -2.955 -10.723 8.863 1.00 71.24 N ATOM 1833 CA THR A 117 -1.817 -10.931 9.757 1.00 32.32 C ATOM 1834 C THR A 117 -2.089 -12.148 10.679 1.00 53.02 C ATOM 1835 O THR A 117 -2.952 -12.090 11.567 1.00 23.53 O ATOM 1836 CB THR A 117 -1.546 -9.645 10.609 1.00 44.30 C ATOM 1837 OG1 THR A 117 -1.431 -8.503 9.740 1.00 42.23 O ATOM 1838 CG2 THR A 117 -0.266 -9.767 11.448 1.00 3.33 C ATOM 0 H THR A 117 -3.454 -9.851 9.041 1.00 71.24 H new ATOM 0 HA THR A 117 -0.929 -11.134 9.158 1.00 32.32 H new ATOM 0 HB THR A 117 -2.387 -9.523 11.292 1.00 44.30 H new ATOM 0 HG1 THR A 117 -2.314 -8.097 9.615 1.00 42.23 H new ATOM 0 HG21 THR A 117 -0.119 -8.852 12.022 1.00 3.33 H new ATOM 0 HG22 THR A 117 -0.357 -10.613 12.130 1.00 3.33 H new ATOM 0 HG23 THR A 117 0.588 -9.923 10.789 1.00 3.33 H new ATOM 1846 N GLY A 118 -1.376 -13.254 10.417 1.00 21.41 N ATOM 1847 CA GLY A 118 -1.559 -14.523 11.136 1.00 22.42 C ATOM 1848 C GLY A 118 -2.451 -15.516 10.374 1.00 4.03 C ATOM 1849 O GLY A 118 -2.567 -16.677 10.773 1.00 71.15 O ATOM 0 H GLY A 118 -0.654 -13.293 9.698 1.00 21.41 H new ATOM 0 HA2 GLY A 118 -0.585 -14.979 11.313 1.00 22.42 H new ATOM 0 HA3 GLY A 118 -1.999 -14.322 12.113 1.00 22.42 H new ATOM 1853 N GLN A 119 -3.079 -15.059 9.263 1.00 65.34 N ATOM 1854 CA GLN A 119 -4.034 -15.866 8.460 1.00 33.33 C ATOM 1855 C GLN A 119 -3.502 -16.099 7.026 1.00 74.13 C ATOM 1856 O GLN A 119 -2.878 -17.131 6.753 1.00 32.54 O ATOM 1857 CB GLN A 119 -5.436 -15.174 8.450 1.00 2.14 C ATOM 1858 CG GLN A 119 -6.168 -15.186 9.809 1.00 53.20 C ATOM 1859 CD GLN A 119 -6.599 -16.588 10.262 1.00 33.14 C ATOM 1860 OE1 GLN A 119 -6.899 -17.468 9.444 1.00 20.31 O ATOM 1861 NE2 GLN A 119 -6.640 -16.813 11.559 1.00 61.14 N ATOM 0 H GLN A 119 -2.938 -14.118 8.897 1.00 65.34 H new ATOM 0 HA GLN A 119 -4.140 -16.848 8.922 1.00 33.33 H new ATOM 0 HB2 GLN A 119 -5.314 -14.140 8.127 1.00 2.14 H new ATOM 0 HB3 GLN A 119 -6.065 -15.667 7.709 1.00 2.14 H new ATOM 0 HG2 GLN A 119 -5.516 -14.753 10.567 1.00 53.20 H new ATOM 0 HG3 GLN A 119 -7.049 -14.548 9.743 1.00 53.20 H new ATOM 0 HE21 GLN A 119 -6.388 -16.072 12.213 1.00 61.14 H new ATOM 0 HE22 GLN A 119 -6.923 -17.728 11.909 1.00 61.14 H new ATOM 1870 N GLN A 120 -3.732 -15.117 6.122 1.00 22.21 N ATOM 1871 CA GLN A 120 -3.286 -15.177 4.703 1.00 44.02 C ATOM 1872 C GLN A 120 -1.816 -14.744 4.559 1.00 33.31 C ATOM 1873 O GLN A 120 -1.212 -14.887 3.494 1.00 31.34 O ATOM 1874 CB GLN A 120 -4.195 -14.284 3.828 1.00 43.43 C ATOM 1875 CG GLN A 120 -5.646 -14.779 3.719 1.00 41.50 C ATOM 1876 CD GLN A 120 -6.517 -13.816 2.925 1.00 14.23 C ATOM 1877 OE1 GLN A 120 -6.608 -13.901 1.706 1.00 22.01 O ATOM 1878 NE2 GLN A 120 -7.164 -12.895 3.612 1.00 30.20 N ATOM 0 H GLN A 120 -4.232 -14.259 6.353 1.00 22.21 H new ATOM 0 HA GLN A 120 -3.363 -16.211 4.366 1.00 44.02 H new ATOM 0 HB2 GLN A 120 -4.197 -13.274 4.238 1.00 43.43 H new ATOM 0 HB3 GLN A 120 -3.768 -14.220 2.827 1.00 43.43 H new ATOM 0 HG2 GLN A 120 -5.660 -15.759 3.242 1.00 41.50 H new ATOM 0 HG3 GLN A 120 -6.062 -14.905 4.718 1.00 41.50 H new ATOM 0 HE21 GLN A 120 -7.066 -12.852 4.626 1.00 30.20 H new ATOM 0 HE22 GLN A 120 -7.763 -12.225 3.129 1.00 30.20 H new ATOM 1887 N SER A 121 -1.278 -14.219 5.654 1.00 51.04 N ATOM 1888 CA SER A 121 0.119 -13.828 5.810 1.00 30.44 C ATOM 1889 C SER A 121 0.499 -14.099 7.273 1.00 33.43 C ATOM 1890 O SER A 121 -0.373 -14.420 8.088 1.00 63.23 O ATOM 1891 CB SER A 121 0.322 -12.333 5.428 1.00 43.14 C ATOM 1892 OG SER A 121 -0.011 -12.092 4.062 1.00 62.35 O ATOM 0 H SER A 121 -1.828 -14.046 6.495 1.00 51.04 H new ATOM 0 HA SER A 121 0.763 -14.401 5.143 1.00 30.44 H new ATOM 0 HB2 SER A 121 -0.296 -11.705 6.070 1.00 43.14 H new ATOM 0 HB3 SER A 121 1.359 -12.048 5.606 1.00 43.14 H new ATOM 0 HG SER A 121 -0.737 -11.435 4.013 1.00 62.35 H new ATOM 1898 N TYR A 122 1.784 -14.014 7.604 1.00 44.42 N ATOM 1899 CA TYR A 122 2.263 -14.159 8.996 1.00 53.12 C ATOM 1900 C TYR A 122 2.227 -12.794 9.724 1.00 42.25 C ATOM 1901 O TYR A 122 1.460 -11.894 9.339 1.00 43.41 O ATOM 1902 CB TYR A 122 3.685 -14.784 8.995 1.00 0.13 C ATOM 1903 CG TYR A 122 3.714 -16.300 8.834 1.00 74.02 C ATOM 1904 CD1 TYR A 122 3.569 -16.888 7.589 1.00 34.52 C ATOM 1905 CD2 TYR A 122 3.885 -17.143 9.942 1.00 42.51 C ATOM 1906 CE1 TYR A 122 3.594 -18.250 7.446 1.00 74.12 C ATOM 1907 CE2 TYR A 122 3.911 -18.512 9.798 1.00 55.41 C ATOM 1908 CZ TYR A 122 3.765 -19.060 8.547 1.00 2.31 C ATOM 1909 OH TYR A 122 3.796 -20.425 8.389 1.00 20.23 O ATOM 0 H TYR A 122 2.528 -13.844 6.927 1.00 44.42 H new ATOM 0 HA TYR A 122 1.602 -14.831 9.544 1.00 53.12 H new ATOM 0 HB2 TYR A 122 4.264 -14.335 8.188 1.00 0.13 H new ATOM 0 HB3 TYR A 122 4.183 -14.522 9.928 1.00 0.13 H new ATOM 0 HD1 TYR A 122 3.434 -16.264 6.718 1.00 34.52 H new ATOM 0 HD2 TYR A 122 3.998 -16.711 10.925 1.00 42.51 H new ATOM 0 HE1 TYR A 122 3.479 -18.690 6.467 1.00 74.12 H new ATOM 0 HE2 TYR A 122 4.045 -19.149 10.660 1.00 55.41 H new ATOM 0 HH TYR A 122 3.925 -20.852 9.261 1.00 20.23 H new ATOM 1919 N ASP A 123 3.040 -12.665 10.784 1.00 1.42 N ATOM 1920 CA ASP A 123 3.095 -11.462 11.611 1.00 42.40 C ATOM 1921 C ASP A 123 3.896 -10.367 10.882 1.00 73.23 C ATOM 1922 O ASP A 123 5.046 -10.592 10.486 1.00 30.13 O ATOM 1923 CB ASP A 123 3.707 -11.805 12.991 1.00 35.21 C ATOM 1924 CG ASP A 123 3.899 -10.575 13.894 1.00 12.10 C ATOM 1925 OD1 ASP A 123 2.885 -9.976 14.306 1.00 12.23 O ATOM 1926 OD2 ASP A 123 5.053 -10.190 14.179 1.00 62.10 O ATOM 0 H ASP A 123 3.679 -13.400 11.088 1.00 1.42 H new ATOM 0 HA ASP A 123 2.089 -11.079 11.781 1.00 42.40 H new ATOM 0 HB2 ASP A 123 3.062 -12.523 13.498 1.00 35.21 H new ATOM 0 HB3 ASP A 123 4.671 -12.292 12.842 1.00 35.21 H new ATOM 1931 N GLY A 124 3.257 -9.202 10.672 1.00 10.33 N ATOM 1932 CA GLY A 124 3.881 -8.081 9.976 1.00 20.52 C ATOM 1933 C GLY A 124 2.850 -7.096 9.442 1.00 75.31 C ATOM 1934 O GLY A 124 2.824 -5.931 9.855 1.00 70.30 O ATOM 0 H GLY A 124 2.302 -9.020 10.980 1.00 10.33 H new ATOM 0 HA2 GLY A 124 4.558 -7.564 10.656 1.00 20.52 H new ATOM 0 HA3 GLY A 124 4.484 -8.458 9.150 1.00 20.52 H new ATOM 1938 N GLY A 125 1.989 -7.572 8.526 1.00 22.41 N ATOM 1939 CA GLY A 125 0.952 -6.729 7.899 1.00 33.32 C ATOM 1940 C GLY A 125 1.024 -6.759 6.379 1.00 4.14 C ATOM 1941 O GLY A 125 1.610 -7.682 5.804 1.00 1.43 O ATOM 0 H GLY A 125 1.990 -8.539 8.201 1.00 22.41 H new ATOM 0 HA2 GLY A 125 -0.033 -7.069 8.221 1.00 33.32 H new ATOM 0 HA3 GLY A 125 1.064 -5.702 8.246 1.00 33.32 H new ATOM 1945 N ARG A 126 0.393 -5.759 5.731 1.00 25.40 N ATOM 1946 CA ARG A 126 0.472 -5.523 4.267 1.00 0.42 C ATOM 1947 C ARG A 126 0.865 -4.052 4.011 1.00 23.22 C ATOM 1948 O ARG A 126 1.071 -3.281 4.963 1.00 13.25 O ATOM 1949 CB ARG A 126 -0.900 -5.808 3.573 1.00 63.23 C ATOM 1950 CG ARG A 126 -1.510 -7.214 3.795 1.00 20.43 C ATOM 1951 CD ARG A 126 -0.586 -8.356 3.345 1.00 32.20 C ATOM 1952 NE ARG A 126 -0.181 -8.245 1.925 1.00 60.42 N ATOM 1953 CZ ARG A 126 0.446 -9.212 1.233 1.00 61.23 C ATOM 1954 NH1 ARG A 126 0.748 -10.371 1.817 1.00 51.12 N ATOM 1955 NH2 ARG A 126 0.752 -9.022 -0.045 1.00 51.33 N ATOM 0 H ARG A 126 -0.196 -5.080 6.213 1.00 25.40 H new ATOM 0 HA ARG A 126 1.219 -6.199 3.851 1.00 0.42 H new ATOM 0 HB2 ARG A 126 -1.619 -5.066 3.921 1.00 63.23 H new ATOM 0 HB3 ARG A 126 -0.778 -5.655 2.501 1.00 63.23 H new ATOM 0 HG2 ARG A 126 -1.742 -7.339 4.853 1.00 20.43 H new ATOM 0 HG3 ARG A 126 -2.453 -7.283 3.252 1.00 20.43 H new ATOM 0 HD2 ARG A 126 0.305 -8.364 3.972 1.00 32.20 H new ATOM 0 HD3 ARG A 126 -1.093 -9.309 3.500 1.00 32.20 H new ATOM 0 HE ARG A 126 -0.393 -7.374 1.438 1.00 60.42 H new ATOM 0 HH11 ARG A 126 0.503 -10.528 2.795 1.00 51.12 H new ATOM 0 HH12 ARG A 126 1.224 -11.101 1.286 1.00 51.12 H new ATOM 0 HH21 ARG A 126 0.511 -8.142 -0.502 1.00 51.33 H new ATOM 0 HH22 ARG A 126 1.228 -9.756 -0.570 1.00 51.33 H new ATOM 1969 N TYR A 127 0.988 -3.667 2.727 1.00 64.11 N ATOM 1970 CA TYR A 127 1.024 -2.246 2.338 1.00 31.12 C ATOM 1971 C TYR A 127 0.429 -2.042 0.940 1.00 14.13 C ATOM 1972 O TYR A 127 0.242 -2.991 0.166 1.00 1.31 O ATOM 1973 CB TYR A 127 2.465 -1.647 2.435 1.00 0.31 C ATOM 1974 CG TYR A 127 3.411 -1.975 1.267 1.00 4.21 C ATOM 1975 CD1 TYR A 127 4.012 -3.221 1.150 1.00 44.02 C ATOM 1976 CD2 TYR A 127 3.710 -1.017 0.290 1.00 45.11 C ATOM 1977 CE1 TYR A 127 4.875 -3.501 0.106 1.00 55.25 C ATOM 1978 CE2 TYR A 127 4.570 -1.296 -0.749 1.00 45.23 C ATOM 1979 CZ TYR A 127 5.153 -2.537 -0.837 1.00 74.21 C ATOM 1980 OH TYR A 127 6.016 -2.824 -1.875 1.00 65.42 O ATOM 0 H TYR A 127 1.064 -4.317 1.945 1.00 64.11 H new ATOM 0 HA TYR A 127 0.405 -1.701 3.051 1.00 31.12 H new ATOM 0 HB2 TYR A 127 2.382 -0.563 2.516 1.00 0.31 H new ATOM 0 HB3 TYR A 127 2.923 -2.002 3.358 1.00 0.31 H new ATOM 0 HD1 TYR A 127 3.802 -3.983 1.886 1.00 44.02 H new ATOM 0 HD2 TYR A 127 3.257 -0.039 0.353 1.00 45.11 H new ATOM 0 HE1 TYR A 127 5.331 -4.477 0.030 1.00 55.25 H new ATOM 0 HE2 TYR A 127 4.785 -0.542 -1.492 1.00 45.23 H new ATOM 0 HH TYR A 127 6.105 -2.038 -2.454 1.00 65.42 H new ATOM 1990 N MET A 128 0.150 -0.773 0.650 1.00 3.50 N ATOM 1991 CA MET A 128 -0.392 -0.290 -0.624 1.00 44.21 C ATOM 1992 C MET A 128 0.416 0.944 -1.056 1.00 22.33 C ATOM 1993 O MET A 128 0.901 1.705 -0.209 1.00 61.12 O ATOM 1994 CB MET A 128 -1.904 0.063 -0.456 1.00 64.02 C ATOM 1995 CG MET A 128 -2.869 -1.128 -0.523 1.00 43.14 C ATOM 1996 SD MET A 128 -3.164 -1.682 -2.208 1.00 32.33 S ATOM 1997 CE MET A 128 -4.010 -0.247 -2.877 1.00 14.25 C ATOM 0 H MET A 128 0.301 -0.020 1.322 1.00 3.50 H new ATOM 0 HA MET A 128 -0.312 -1.061 -1.390 1.00 44.21 H new ATOM 0 HB2 MET A 128 -2.038 0.564 0.503 1.00 64.02 H new ATOM 0 HB3 MET A 128 -2.181 0.778 -1.231 1.00 64.02 H new ATOM 0 HG2 MET A 128 -2.463 -1.954 0.062 1.00 43.14 H new ATOM 0 HG3 MET A 128 -3.818 -0.849 -0.064 1.00 43.14 H new ATOM 0 HE1 MET A 128 -4.596 -0.543 -3.747 1.00 14.25 H new ATOM 0 HE2 MET A 128 -4.672 0.171 -2.119 1.00 14.25 H new ATOM 0 HE3 MET A 128 -3.276 0.503 -3.172 1.00 14.25 H new ATOM 2007 N GLU A 129 0.581 1.120 -2.368 1.00 1.13 N ATOM 2008 CA GLU A 129 1.248 2.294 -2.954 1.00 10.54 C ATOM 2009 C GLU A 129 0.403 2.813 -4.132 1.00 72.44 C ATOM 2010 O GLU A 129 0.110 2.056 -5.067 1.00 31.05 O ATOM 2011 CB GLU A 129 2.679 1.899 -3.410 1.00 45.32 C ATOM 2012 CG GLU A 129 3.494 3.039 -4.063 1.00 24.03 C ATOM 2013 CD GLU A 129 4.901 2.588 -4.485 1.00 44.11 C ATOM 2014 OE1 GLU A 129 5.025 1.889 -5.515 1.00 55.02 O ATOM 2015 OE2 GLU A 129 5.885 2.900 -3.777 1.00 62.00 O ATOM 0 H GLU A 129 0.254 0.449 -3.063 1.00 1.13 H new ATOM 0 HA GLU A 129 1.338 3.092 -2.217 1.00 10.54 H new ATOM 0 HB2 GLU A 129 3.230 1.527 -2.546 1.00 45.32 H new ATOM 0 HB3 GLU A 129 2.604 1.074 -4.119 1.00 45.32 H new ATOM 0 HG2 GLU A 129 2.958 3.411 -4.936 1.00 24.03 H new ATOM 0 HG3 GLU A 129 3.577 3.870 -3.362 1.00 24.03 H new ATOM 2022 N LEU A 130 -0.003 4.096 -4.064 1.00 41.14 N ATOM 2023 CA LEU A 130 -0.840 4.751 -5.099 1.00 52.13 C ATOM 2024 C LEU A 130 -0.287 6.142 -5.451 1.00 3.12 C ATOM 2025 O LEU A 130 0.326 6.813 -4.615 1.00 53.51 O ATOM 2026 CB LEU A 130 -2.364 4.823 -4.667 1.00 52.41 C ATOM 2027 CG LEU A 130 -2.708 4.683 -3.140 1.00 44.42 C ATOM 2028 CD1 LEU A 130 -2.266 5.913 -2.326 1.00 5.14 C ATOM 2029 CD2 LEU A 130 -4.211 4.402 -2.935 1.00 64.41 C ATOM 0 H LEU A 130 0.239 4.713 -3.289 1.00 41.14 H new ATOM 0 HA LEU A 130 -0.795 4.135 -5.997 1.00 52.13 H new ATOM 0 HB2 LEU A 130 -2.764 5.776 -5.013 1.00 52.41 H new ATOM 0 HB3 LEU A 130 -2.900 4.039 -5.203 1.00 52.41 H new ATOM 0 HG LEU A 130 -2.142 3.830 -2.765 1.00 44.42 H new ATOM 0 HD11 LEU A 130 -2.526 5.768 -1.277 1.00 5.14 H new ATOM 0 HD12 LEU A 130 -1.188 6.042 -2.418 1.00 5.14 H new ATOM 0 HD13 LEU A 130 -2.771 6.801 -2.705 1.00 5.14 H new ATOM 0 HD21 LEU A 130 -4.422 4.310 -1.870 1.00 64.41 H new ATOM 0 HD22 LEU A 130 -4.795 5.223 -3.350 1.00 64.41 H new ATOM 0 HD23 LEU A 130 -4.480 3.474 -3.440 1.00 64.41 H new ATOM 2041 N GLU A 131 -0.519 6.552 -6.715 1.00 21.13 N ATOM 2042 CA GLU A 131 -0.126 7.872 -7.248 1.00 3.12 C ATOM 2043 C GLU A 131 -1.313 8.461 -8.049 1.00 51.11 C ATOM 2044 O GLU A 131 -1.694 7.894 -9.077 1.00 55.31 O ATOM 2045 CB GLU A 131 1.139 7.787 -8.152 1.00 45.15 C ATOM 2046 CG GLU A 131 2.412 7.283 -7.437 1.00 10.32 C ATOM 2047 CD GLU A 131 3.665 7.353 -8.325 1.00 64.01 C ATOM 2048 OE1 GLU A 131 3.785 6.527 -9.251 1.00 70.35 O ATOM 2049 OE2 GLU A 131 4.524 8.237 -8.108 1.00 53.34 O ATOM 0 H GLU A 131 -0.992 5.967 -7.404 1.00 21.13 H new ATOM 0 HA GLU A 131 0.125 8.520 -6.408 1.00 3.12 H new ATOM 0 HB2 GLU A 131 0.925 7.126 -8.992 1.00 45.15 H new ATOM 0 HB3 GLU A 131 1.339 8.775 -8.567 1.00 45.15 H new ATOM 0 HG2 GLU A 131 2.577 7.877 -6.538 1.00 10.32 H new ATOM 0 HG3 GLU A 131 2.258 6.253 -7.115 1.00 10.32 H new ATOM 2056 N PRO A 132 -1.945 9.577 -7.566 1.00 5.44 N ATOM 2057 CA PRO A 132 -3.034 10.277 -8.305 1.00 64.13 C ATOM 2058 C PRO A 132 -2.536 11.097 -9.522 1.00 23.01 C ATOM 2059 O PRO A 132 -1.331 11.298 -9.715 1.00 44.44 O ATOM 2060 CB PRO A 132 -3.638 11.201 -7.221 1.00 61.31 C ATOM 2061 CG PRO A 132 -2.482 11.499 -6.307 1.00 12.10 C ATOM 2062 CD PRO A 132 -1.680 10.223 -6.247 1.00 41.21 C ATOM 0 HA PRO A 132 -3.742 9.574 -8.745 1.00 64.13 H new ATOM 0 HB2 PRO A 132 -4.047 12.113 -7.657 1.00 61.31 H new ATOM 0 HB3 PRO A 132 -4.452 10.710 -6.687 1.00 61.31 H new ATOM 0 HG2 PRO A 132 -1.881 12.323 -6.690 1.00 12.10 H new ATOM 0 HG3 PRO A 132 -2.830 11.792 -5.316 1.00 12.10 H new ATOM 0 HD2 PRO A 132 -0.618 10.424 -6.105 1.00 41.21 H new ATOM 0 HD3 PRO A 132 -1.998 9.589 -5.419 1.00 41.21 H new ATOM 2070 N ASP A 133 -3.511 11.587 -10.312 1.00 34.22 N ATOM 2071 CA ASP A 133 -3.284 12.423 -11.518 1.00 12.55 C ATOM 2072 C ASP A 133 -2.971 13.896 -11.139 1.00 13.24 C ATOM 2073 O ASP A 133 -2.410 14.656 -11.937 1.00 5.43 O ATOM 2074 CB ASP A 133 -4.546 12.333 -12.428 1.00 74.14 C ATOM 2075 CG ASP A 133 -4.494 13.252 -13.666 1.00 63.51 C ATOM 2076 OD1 ASP A 133 -3.741 12.940 -14.616 1.00 65.00 O ATOM 2077 OD2 ASP A 133 -5.192 14.295 -13.693 1.00 42.13 O ATOM 0 H ASP A 133 -4.499 11.412 -10.130 1.00 34.22 H new ATOM 0 HA ASP A 133 -2.414 12.048 -12.058 1.00 12.55 H new ATOM 0 HB2 ASP A 133 -4.670 11.302 -12.759 1.00 74.14 H new ATOM 0 HB3 ASP A 133 -5.426 12.586 -11.837 1.00 74.14 H new ATOM 2082 N ARG A 134 -3.295 14.265 -9.897 1.00 30.10 N ATOM 2083 CA ARG A 134 -3.140 15.640 -9.381 1.00 72.02 C ATOM 2084 C ARG A 134 -2.966 15.606 -7.862 1.00 32.13 C ATOM 2085 O ARG A 134 -3.015 14.527 -7.256 1.00 55.43 O ATOM 2086 CB ARG A 134 -4.332 16.562 -9.837 1.00 1.32 C ATOM 2087 CG ARG A 134 -5.778 16.019 -9.631 1.00 63.41 C ATOM 2088 CD ARG A 134 -6.197 15.844 -8.150 1.00 4.12 C ATOM 2089 NE ARG A 134 -7.650 15.726 -7.962 1.00 20.14 N ATOM 2090 CZ ARG A 134 -8.400 14.644 -8.231 1.00 11.43 C ATOM 2091 NH1 ARG A 134 -7.868 13.528 -8.722 1.00 52.11 N ATOM 2092 NH2 ARG A 134 -9.700 14.691 -7.990 1.00 34.01 N ATOM 0 H ARG A 134 -3.677 13.616 -9.209 1.00 30.10 H new ATOM 0 HA ARG A 134 -2.240 16.082 -9.807 1.00 72.02 H new ATOM 0 HB2 ARG A 134 -4.249 17.509 -9.303 1.00 1.32 H new ATOM 0 HB3 ARG A 134 -4.202 16.781 -10.897 1.00 1.32 H new ATOM 0 HG2 ARG A 134 -6.479 16.698 -10.115 1.00 63.41 H new ATOM 0 HG3 ARG A 134 -5.866 15.057 -10.136 1.00 63.41 H new ATOM 0 HD2 ARG A 134 -5.713 14.955 -7.746 1.00 4.12 H new ATOM 0 HD3 ARG A 134 -5.832 16.695 -7.574 1.00 4.12 H new ATOM 0 HE ARG A 134 -8.135 16.543 -7.592 1.00 20.14 H new ATOM 0 HH11 ARG A 134 -6.866 13.478 -8.904 1.00 52.11 H new ATOM 0 HH12 ARG A 134 -8.462 12.722 -8.916 1.00 52.11 H new ATOM 0 HH21 ARG A 134 -10.117 15.539 -7.606 1.00 34.01 H new ATOM 0 HH22 ARG A 134 -10.285 13.879 -8.188 1.00 34.01 H new ATOM 2106 N ASP A 135 -2.779 16.779 -7.248 1.00 25.42 N ATOM 2107 CA ASP A 135 -2.657 16.884 -5.787 1.00 4.32 C ATOM 2108 C ASP A 135 -4.036 16.704 -5.126 1.00 73.32 C ATOM 2109 O ASP A 135 -4.970 17.459 -5.411 1.00 1.53 O ATOM 2110 CB ASP A 135 -2.039 18.237 -5.374 1.00 75.03 C ATOM 2111 CG ASP A 135 -1.963 18.383 -3.846 1.00 30.00 C ATOM 2112 OD1 ASP A 135 -1.124 17.691 -3.231 1.00 61.12 O ATOM 2113 OD2 ASP A 135 -2.744 19.167 -3.249 1.00 41.11 O ATOM 0 H ASP A 135 -2.709 17.670 -7.739 1.00 25.42 H new ATOM 0 HA ASP A 135 -1.991 16.092 -5.445 1.00 4.32 H new ATOM 0 HB2 ASP A 135 -1.039 18.325 -5.798 1.00 75.03 H new ATOM 0 HB3 ASP A 135 -2.634 19.051 -5.788 1.00 75.03 H new ATOM 2118 N LEU A 136 -4.138 15.701 -4.247 1.00 32.41 N ATOM 2119 CA LEU A 136 -5.376 15.381 -3.530 1.00 35.31 C ATOM 2120 C LEU A 136 -5.462 16.236 -2.262 1.00 15.20 C ATOM 2121 O LEU A 136 -4.853 15.896 -1.247 1.00 33.24 O ATOM 2122 CB LEU A 136 -5.406 13.872 -3.172 1.00 24.13 C ATOM 2123 CG LEU A 136 -5.396 12.875 -4.366 1.00 51.12 C ATOM 2124 CD1 LEU A 136 -5.352 11.417 -3.862 1.00 33.25 C ATOM 2125 CD2 LEU A 136 -6.597 13.109 -5.307 1.00 1.32 C ATOM 0 H LEU A 136 -3.359 15.085 -4.012 1.00 32.41 H new ATOM 0 HA LEU A 136 -6.234 15.600 -4.165 1.00 35.31 H new ATOM 0 HB2 LEU A 136 -4.546 13.654 -2.539 1.00 24.13 H new ATOM 0 HB3 LEU A 136 -6.298 13.681 -2.575 1.00 24.13 H new ATOM 0 HG LEU A 136 -4.491 13.057 -4.946 1.00 51.12 H new ATOM 0 HD11 LEU A 136 -5.346 10.737 -4.714 1.00 33.25 H new ATOM 0 HD12 LEU A 136 -4.450 11.264 -3.269 1.00 33.25 H new ATOM 0 HD13 LEU A 136 -6.229 11.218 -3.246 1.00 33.25 H new ATOM 0 HD21 LEU A 136 -6.559 12.395 -6.130 1.00 1.32 H new ATOM 0 HD22 LEU A 136 -7.526 12.974 -4.752 1.00 1.32 H new ATOM 0 HD23 LEU A 136 -6.556 14.123 -5.704 1.00 1.32 H new ATOM 2137 N SER A 137 -6.152 17.378 -2.365 1.00 1.43 N ATOM 2138 CA SER A 137 -6.443 18.256 -1.216 1.00 42.22 C ATOM 2139 C SER A 137 -7.608 17.683 -0.368 1.00 44.22 C ATOM 2140 O SER A 137 -8.249 16.700 -0.768 1.00 25.20 O ATOM 2141 CB SER A 137 -6.757 19.676 -1.733 1.00 63.33 C ATOM 2142 OG SER A 137 -5.699 20.145 -2.562 1.00 24.55 O ATOM 0 H SER A 137 -6.527 17.724 -3.248 1.00 1.43 H new ATOM 0 HA SER A 137 -5.571 18.307 -0.563 1.00 42.22 H new ATOM 0 HB2 SER A 137 -7.691 19.668 -2.294 1.00 63.33 H new ATOM 0 HB3 SER A 137 -6.897 20.354 -0.891 1.00 63.33 H new ATOM 0 HG SER A 137 -5.911 21.046 -2.885 1.00 24.55 H new ATOM 2148 N ASP A 138 -7.865 18.297 0.812 1.00 74.24 N ATOM 2149 CA ASP A 138 -8.931 17.844 1.730 1.00 64.24 C ATOM 2150 C ASP A 138 -10.319 18.131 1.104 1.00 55.31 C ATOM 2151 O ASP A 138 -10.762 19.282 1.018 1.00 24.15 O ATOM 2152 CB ASP A 138 -8.771 18.483 3.151 1.00 35.54 C ATOM 2153 CG ASP A 138 -8.992 20.008 3.217 1.00 73.44 C ATOM 2154 OD1 ASP A 138 -8.272 20.748 2.534 1.00 71.44 O ATOM 2155 OD2 ASP A 138 -9.892 20.468 3.948 1.00 13.55 O ATOM 0 H ASP A 138 -7.346 19.108 1.148 1.00 74.24 H new ATOM 0 HA ASP A 138 -8.844 16.767 1.871 1.00 64.24 H new ATOM 0 HB2 ASP A 138 -9.475 18.001 3.829 1.00 35.54 H new ATOM 0 HB3 ASP A 138 -7.770 18.261 3.520 1.00 35.54 H new ATOM 2160 N GLY A 139 -10.970 17.073 0.603 1.00 12.14 N ATOM 2161 CA GLY A 139 -12.223 17.192 -0.148 1.00 12.12 C ATOM 2162 C GLY A 139 -12.193 16.361 -1.420 1.00 43.55 C ATOM 2163 O GLY A 139 -13.244 15.915 -1.892 1.00 1.21 O ATOM 0 H GLY A 139 -10.642 16.113 0.708 1.00 12.14 H new ATOM 0 HA2 GLY A 139 -13.055 16.870 0.478 1.00 12.12 H new ATOM 0 HA3 GLY A 139 -12.399 18.238 -0.400 1.00 12.12 H new ATOM 2167 N ASP A 140 -10.976 16.167 -1.989 1.00 54.32 N ATOM 2168 CA ASP A 140 -10.750 15.213 -3.105 1.00 0.30 C ATOM 2169 C ASP A 140 -10.940 13.778 -2.599 1.00 34.03 C ATOM 2170 O ASP A 140 -10.996 13.545 -1.390 1.00 74.35 O ATOM 2171 CB ASP A 140 -9.323 15.365 -3.707 1.00 72.34 C ATOM 2172 CG ASP A 140 -9.137 16.654 -4.519 1.00 31.25 C ATOM 2173 OD1 ASP A 140 -9.482 16.672 -5.727 1.00 54.55 O ATOM 2174 OD2 ASP A 140 -8.662 17.659 -3.960 1.00 72.11 O ATOM 0 H ASP A 140 -10.134 16.660 -1.692 1.00 54.32 H new ATOM 0 HA ASP A 140 -11.474 15.434 -3.889 1.00 0.30 H new ATOM 0 HB2 ASP A 140 -8.592 15.345 -2.899 1.00 72.34 H new ATOM 0 HB3 ASP A 140 -9.114 14.508 -4.347 1.00 72.34 H new ATOM 2179 N GLU A 141 -11.030 12.825 -3.528 1.00 2.20 N ATOM 2180 CA GLU A 141 -11.178 11.393 -3.212 1.00 61.32 C ATOM 2181 C GLU A 141 -10.084 10.579 -3.926 1.00 31.42 C ATOM 2182 O GLU A 141 -9.336 11.117 -4.755 1.00 41.43 O ATOM 2183 CB GLU A 141 -12.596 10.908 -3.603 1.00 54.43 C ATOM 2184 CG GLU A 141 -13.736 11.519 -2.761 1.00 24.53 C ATOM 2185 CD GLU A 141 -15.128 11.119 -3.269 1.00 12.10 C ATOM 2186 OE1 GLU A 141 -15.550 9.963 -3.052 1.00 42.12 O ATOM 2187 OE2 GLU A 141 -15.804 11.954 -3.901 1.00 61.25 O ATOM 0 H GLU A 141 -11.003 13.020 -4.529 1.00 2.20 H new ATOM 0 HA GLU A 141 -11.058 11.244 -2.139 1.00 61.32 H new ATOM 0 HB2 GLU A 141 -12.770 11.144 -4.653 1.00 54.43 H new ATOM 0 HB3 GLU A 141 -12.634 9.823 -3.509 1.00 54.43 H new ATOM 0 HG2 GLU A 141 -13.627 11.201 -1.724 1.00 24.53 H new ATOM 0 HG3 GLU A 141 -13.648 12.605 -2.772 1.00 24.53 H new ATOM 2194 N ILE A 142 -10.003 9.277 -3.594 1.00 74.20 N ATOM 2195 CA ILE A 142 -8.959 8.356 -4.081 1.00 14.14 C ATOM 2196 C ILE A 142 -9.477 6.899 -3.988 1.00 74.01 C ATOM 2197 O ILE A 142 -10.310 6.572 -3.140 1.00 13.51 O ATOM 2198 CB ILE A 142 -7.620 8.530 -3.259 1.00 10.43 C ATOM 2199 CG1 ILE A 142 -6.454 7.613 -3.786 1.00 14.45 C ATOM 2200 CG2 ILE A 142 -7.865 8.318 -1.747 1.00 61.43 C ATOM 2201 CD1 ILE A 142 -6.015 7.884 -5.228 1.00 51.33 C ATOM 0 H ILE A 142 -10.673 8.828 -2.969 1.00 74.20 H new ATOM 0 HA ILE A 142 -8.736 8.592 -5.122 1.00 14.14 H new ATOM 0 HB ILE A 142 -7.292 9.558 -3.411 1.00 10.43 H new ATOM 0 HG12 ILE A 142 -5.592 7.736 -3.131 1.00 14.45 H new ATOM 0 HG13 ILE A 142 -6.768 6.572 -3.708 1.00 14.45 H new ATOM 0 HG21 ILE A 142 -6.927 8.443 -1.205 1.00 61.43 H new ATOM 0 HG22 ILE A 142 -8.591 9.049 -1.390 1.00 61.43 H new ATOM 0 HG23 ILE A 142 -8.250 7.312 -1.578 1.00 61.43 H new ATOM 0 HD11 ILE A 142 -5.208 7.202 -5.497 1.00 51.33 H new ATOM 0 HD12 ILE A 142 -6.859 7.730 -5.900 1.00 51.33 H new ATOM 0 HD13 ILE A 142 -5.665 8.913 -5.314 1.00 51.33 H new ATOM 2213 N THR A 143 -8.974 6.044 -4.879 1.00 62.24 N ATOM 2214 CA THR A 143 -9.397 4.654 -5.015 1.00 2.44 C ATOM 2215 C THR A 143 -8.456 3.727 -4.207 1.00 33.50 C ATOM 2216 O THR A 143 -7.235 3.772 -4.390 1.00 3.45 O ATOM 2217 CB THR A 143 -9.379 4.288 -6.526 1.00 34.22 C ATOM 2218 OG1 THR A 143 -10.042 5.330 -7.264 1.00 70.32 O ATOM 2219 CG2 THR A 143 -10.075 2.959 -6.800 1.00 70.42 C ATOM 0 H THR A 143 -8.244 6.307 -5.541 1.00 62.24 H new ATOM 0 HA THR A 143 -10.404 4.523 -4.620 1.00 2.44 H new ATOM 0 HB THR A 143 -8.339 4.189 -6.839 1.00 34.22 H new ATOM 0 HG1 THR A 143 -10.035 5.110 -8.219 1.00 70.32 H new ATOM 0 HG21 THR A 143 -10.039 2.743 -7.868 1.00 70.42 H new ATOM 0 HG22 THR A 143 -9.570 2.164 -6.251 1.00 70.42 H new ATOM 0 HG23 THR A 143 -11.114 3.019 -6.477 1.00 70.42 H new ATOM 2227 N LEU A 144 -9.039 2.897 -3.314 1.00 33.24 N ATOM 2228 CA LEU A 144 -8.297 2.020 -2.381 1.00 63.44 C ATOM 2229 C LEU A 144 -8.667 0.549 -2.666 1.00 13.22 C ATOM 2230 O LEU A 144 -9.670 0.030 -2.162 1.00 35.45 O ATOM 2231 CB LEU A 144 -8.606 2.403 -0.888 1.00 65.21 C ATOM 2232 CG LEU A 144 -7.640 3.431 -0.205 1.00 33.45 C ATOM 2233 CD1 LEU A 144 -6.199 2.869 -0.102 1.00 43.35 C ATOM 2234 CD2 LEU A 144 -7.657 4.791 -0.924 1.00 75.03 C ATOM 0 H LEU A 144 -10.051 2.816 -3.220 1.00 33.24 H new ATOM 0 HA LEU A 144 -7.226 2.153 -2.535 1.00 63.44 H new ATOM 0 HB2 LEU A 144 -9.617 2.807 -0.844 1.00 65.21 H new ATOM 0 HB3 LEU A 144 -8.602 1.488 -0.295 1.00 65.21 H new ATOM 0 HG LEU A 144 -8.006 3.594 0.809 1.00 33.45 H new ATOM 0 HD11 LEU A 144 -5.554 3.606 0.376 1.00 43.35 H new ATOM 0 HD12 LEU A 144 -6.207 1.955 0.491 1.00 43.35 H new ATOM 0 HD13 LEU A 144 -5.821 2.650 -1.101 1.00 43.35 H new ATOM 0 HD21 LEU A 144 -6.975 5.477 -0.421 1.00 75.03 H new ATOM 0 HD22 LEU A 144 -7.342 4.659 -1.959 1.00 75.03 H new ATOM 0 HD23 LEU A 144 -8.666 5.202 -0.902 1.00 75.03 H new ATOM 2246 N ASP A 145 -7.856 -0.090 -3.505 1.00 73.35 N ATOM 2247 CA ASP A 145 -8.058 -1.485 -3.953 1.00 14.00 C ATOM 2248 C ASP A 145 -7.106 -2.421 -3.198 1.00 71.10 C ATOM 2249 O ASP A 145 -5.960 -2.619 -3.597 1.00 23.41 O ATOM 2250 CB ASP A 145 -7.884 -1.613 -5.510 1.00 31.44 C ATOM 2251 CG ASP A 145 -7.120 -0.433 -6.151 1.00 74.13 C ATOM 2252 OD1 ASP A 145 -5.924 -0.239 -5.844 1.00 62.20 O ATOM 2253 OD2 ASP A 145 -7.736 0.327 -6.925 1.00 24.51 O ATOM 0 H ASP A 145 -7.024 0.344 -3.905 1.00 73.35 H new ATOM 0 HA ASP A 145 -9.081 -1.781 -3.723 1.00 14.00 H new ATOM 0 HB2 ASP A 145 -7.355 -2.540 -5.732 1.00 31.44 H new ATOM 0 HB3 ASP A 145 -8.869 -1.690 -5.971 1.00 31.44 H new ATOM 2258 N PHE A 146 -7.606 -3.012 -2.100 1.00 42.31 N ATOM 2259 CA PHE A 146 -6.803 -3.886 -1.200 1.00 53.31 C ATOM 2260 C PHE A 146 -6.582 -5.275 -1.815 1.00 31.55 C ATOM 2261 O PHE A 146 -5.806 -6.091 -1.305 1.00 3.43 O ATOM 2262 CB PHE A 146 -7.500 -4.003 0.170 1.00 4.04 C ATOM 2263 CG PHE A 146 -7.968 -2.669 0.712 1.00 51.22 C ATOM 2264 CD1 PHE A 146 -7.073 -1.609 0.829 1.00 53.13 C ATOM 2265 CD2 PHE A 146 -9.301 -2.457 1.057 1.00 52.35 C ATOM 2266 CE1 PHE A 146 -7.495 -0.391 1.280 1.00 62.31 C ATOM 2267 CE2 PHE A 146 -9.718 -1.230 1.507 1.00 5.00 C ATOM 2268 CZ PHE A 146 -8.815 -0.198 1.620 1.00 71.02 C ATOM 0 H PHE A 146 -8.576 -2.903 -1.803 1.00 42.31 H new ATOM 0 HA PHE A 146 -5.822 -3.430 -1.066 1.00 53.31 H new ATOM 0 HB2 PHE A 146 -8.355 -4.673 0.080 1.00 4.04 H new ATOM 0 HB3 PHE A 146 -6.813 -4.458 0.883 1.00 4.04 H new ATOM 0 HD1 PHE A 146 -6.037 -1.751 0.561 1.00 53.13 H new ATOM 0 HD2 PHE A 146 -10.012 -3.265 0.969 1.00 52.35 H new ATOM 0 HE1 PHE A 146 -6.791 0.423 1.370 1.00 62.31 H new ATOM 0 HE2 PHE A 146 -10.753 -1.074 1.772 1.00 5.00 H new ATOM 0 HZ PHE A 146 -9.143 0.767 1.977 1.00 71.02 H new ATOM 2278 N ASN A 147 -7.292 -5.522 -2.916 1.00 75.22 N ATOM 2279 CA ASN A 147 -7.095 -6.688 -3.783 1.00 70.45 C ATOM 2280 C ASN A 147 -5.789 -6.575 -4.596 1.00 61.43 C ATOM 2281 O ASN A 147 -5.405 -7.514 -5.293 1.00 64.43 O ATOM 2282 CB ASN A 147 -8.318 -6.833 -4.721 1.00 65.34 C ATOM 2283 CG ASN A 147 -8.624 -5.569 -5.535 1.00 22.54 C ATOM 2284 OD1 ASN A 147 -8.161 -5.407 -6.657 1.00 54.14 O ATOM 2285 ND2 ASN A 147 -9.420 -4.671 -4.978 1.00 61.21 N ATOM 0 H ASN A 147 -8.037 -4.904 -3.239 1.00 75.22 H new ATOM 0 HA ASN A 147 -7.006 -7.578 -3.161 1.00 70.45 H new ATOM 0 HB2 ASN A 147 -8.143 -7.662 -5.406 1.00 65.34 H new ATOM 0 HB3 ASN A 147 -9.193 -7.091 -4.125 1.00 65.34 H new ATOM 0 HD21 ASN A 147 -9.661 -3.819 -5.485 1.00 61.21 H new ATOM 0 HD22 ASN A 147 -9.792 -4.830 -4.042 1.00 61.21 H new ATOM 2292 N LEU A 148 -5.135 -5.399 -4.518 1.00 50.41 N ATOM 2293 CA LEU A 148 -3.860 -5.114 -5.188 1.00 64.03 C ATOM 2294 C LEU A 148 -2.718 -4.946 -4.174 1.00 52.31 C ATOM 2295 O LEU A 148 -1.634 -4.468 -4.537 1.00 40.12 O ATOM 2296 CB LEU A 148 -4.008 -3.823 -6.047 1.00 3.41 C ATOM 2297 CG LEU A 148 -5.125 -3.845 -7.137 1.00 32.42 C ATOM 2298 CD1 LEU A 148 -5.017 -2.620 -8.071 1.00 62.51 C ATOM 2299 CD2 LEU A 148 -5.125 -5.173 -7.925 1.00 44.11 C ATOM 0 H LEU A 148 -5.488 -4.610 -3.977 1.00 50.41 H new ATOM 0 HA LEU A 148 -3.610 -5.959 -5.830 1.00 64.03 H new ATOM 0 HB2 LEU A 148 -4.200 -2.985 -5.376 1.00 3.41 H new ATOM 0 HB3 LEU A 148 -3.055 -3.627 -6.537 1.00 3.41 H new ATOM 0 HG LEU A 148 -6.086 -3.781 -6.627 1.00 32.42 H new ATOM 0 HD11 LEU A 148 -5.808 -2.663 -8.820 1.00 62.51 H new ATOM 0 HD12 LEU A 148 -5.120 -1.706 -7.486 1.00 62.51 H new ATOM 0 HD13 LEU A 148 -4.047 -2.625 -8.567 1.00 62.51 H new ATOM 0 HD21 LEU A 148 -5.916 -5.151 -8.675 1.00 44.11 H new ATOM 0 HD22 LEU A 148 -4.162 -5.304 -8.418 1.00 44.11 H new ATOM 0 HD23 LEU A 148 -5.297 -6.003 -7.240 1.00 44.11 H new ATOM 2311 N ALA A 149 -2.973 -5.354 -2.914 1.00 72.45 N ATOM 2312 CA ALA A 149 -2.033 -5.164 -1.795 1.00 50.51 C ATOM 2313 C ALA A 149 -0.698 -5.898 -2.014 1.00 43.10 C ATOM 2314 O ALA A 149 -0.670 -7.116 -2.228 1.00 43.42 O ATOM 2315 CB ALA A 149 -2.669 -5.618 -0.476 1.00 62.22 C ATOM 0 H ALA A 149 -3.837 -5.824 -2.646 1.00 72.45 H new ATOM 0 HA ALA A 149 -1.814 -4.097 -1.746 1.00 50.51 H new ATOM 0 HB1 ALA A 149 -1.961 -5.470 0.339 1.00 62.22 H new ATOM 0 HB2 ALA A 149 -3.569 -5.033 -0.285 1.00 62.22 H new ATOM 0 HB3 ALA A 149 -2.931 -6.674 -0.543 1.00 62.22 H new ATOM 2321 N TYR A 150 0.397 -5.133 -1.917 1.00 71.42 N ATOM 2322 CA TYR A 150 1.761 -5.622 -2.160 1.00 40.11 C ATOM 2323 C TYR A 150 2.327 -6.237 -0.874 1.00 63.10 C ATOM 2324 O TYR A 150 1.951 -5.826 0.239 1.00 14.31 O ATOM 2325 CB TYR A 150 2.665 -4.457 -2.640 1.00 63.23 C ATOM 2326 CG TYR A 150 2.036 -3.591 -3.741 1.00 1.20 C ATOM 2327 CD1 TYR A 150 1.666 -4.147 -4.965 1.00 40.21 C ATOM 2328 CD2 TYR A 150 1.799 -2.224 -3.548 1.00 71.23 C ATOM 2329 CE1 TYR A 150 1.088 -3.376 -5.951 1.00 4.53 C ATOM 2330 CE2 TYR A 150 1.221 -1.452 -4.537 1.00 10.44 C ATOM 2331 CZ TYR A 150 0.869 -2.032 -5.738 1.00 65.42 C ATOM 2332 OH TYR A 150 0.283 -1.268 -6.727 1.00 25.22 O ATOM 0 H TYR A 150 0.361 -4.145 -1.665 1.00 71.42 H new ATOM 0 HA TYR A 150 1.735 -6.386 -2.937 1.00 40.11 H new ATOM 0 HB2 TYR A 150 2.907 -3.823 -1.787 1.00 63.23 H new ATOM 0 HB3 TYR A 150 3.605 -4.868 -3.008 1.00 63.23 H new ATOM 0 HD1 TYR A 150 1.835 -5.199 -5.144 1.00 40.21 H new ATOM 0 HD2 TYR A 150 2.073 -1.765 -2.609 1.00 71.23 H new ATOM 0 HE1 TYR A 150 0.806 -3.826 -6.892 1.00 4.53 H new ATOM 0 HE2 TYR A 150 1.046 -0.399 -4.371 1.00 10.44 H new ATOM 0 HH TYR A 150 0.198 -0.342 -6.418 1.00 25.22 H new ATOM 2342 N SER A 151 3.189 -7.245 -1.037 1.00 23.12 N ATOM 2343 CA SER A 151 3.878 -7.904 0.074 1.00 53.34 C ATOM 2344 C SER A 151 4.985 -7.016 0.673 1.00 22.32 C ATOM 2345 O SER A 151 5.901 -6.609 -0.057 1.00 60.12 O ATOM 2346 CB SER A 151 4.455 -9.232 -0.428 1.00 13.13 C ATOM 2347 OG SER A 151 3.410 -10.080 -0.849 1.00 4.33 O ATOM 0 H SER A 151 3.429 -7.629 -1.951 1.00 23.12 H new ATOM 0 HA SER A 151 3.161 -8.088 0.874 1.00 53.34 H new ATOM 0 HB2 SER A 151 5.143 -9.051 -1.254 1.00 13.13 H new ATOM 0 HB3 SER A 151 5.028 -9.713 0.365 1.00 13.13 H new ATOM 0 HG SER A 151 3.688 -10.567 -1.653 1.00 4.33 H new ATOM 2353 N PRO A 152 4.904 -6.688 2.009 1.00 70.25 N ATOM 2354 CA PRO A 152 5.923 -5.856 2.691 1.00 13.41 C ATOM 2355 C PRO A 152 7.269 -6.593 2.807 1.00 15.35 C ATOM 2356 O PRO A 152 7.299 -7.784 3.148 1.00 64.42 O ATOM 2357 CB PRO A 152 5.291 -5.582 4.082 1.00 32.32 C ATOM 2358 CG PRO A 152 4.370 -6.740 4.319 1.00 23.42 C ATOM 2359 CD PRO A 152 3.822 -7.107 2.954 1.00 43.32 C ATOM 0 HA PRO A 152 6.157 -4.940 2.149 1.00 13.41 H new ATOM 0 HB2 PRO A 152 6.054 -5.518 4.858 1.00 32.32 H new ATOM 0 HB3 PRO A 152 4.748 -4.637 4.091 1.00 32.32 H new ATOM 0 HG2 PRO A 152 4.902 -7.579 4.767 1.00 23.42 H new ATOM 0 HG3 PRO A 152 3.567 -6.469 5.004 1.00 23.42 H new ATOM 0 HD2 PRO A 152 3.617 -8.175 2.879 1.00 43.32 H new ATOM 0 HD3 PRO A 152 2.886 -6.588 2.746 1.00 43.32 H new ATOM 2367 N PHE A 153 8.364 -5.870 2.516 1.00 53.14 N ATOM 2368 CA PHE A 153 9.746 -6.393 2.558 1.00 35.12 C ATOM 2369 C PHE A 153 10.063 -7.021 3.944 1.00 24.22 C ATOM 2370 O PHE A 153 10.732 -8.061 4.035 1.00 75.22 O ATOM 2371 CB PHE A 153 10.760 -5.239 2.298 1.00 31.34 C ATOM 2372 CG PHE A 153 10.598 -4.399 1.018 1.00 33.12 C ATOM 2373 CD1 PHE A 153 9.607 -3.418 0.912 1.00 34.20 C ATOM 2374 CD2 PHE A 153 11.480 -4.553 -0.057 1.00 43.03 C ATOM 2375 CE1 PHE A 153 9.501 -2.629 -0.220 1.00 2.31 C ATOM 2376 CE2 PHE A 153 11.368 -3.772 -1.189 1.00 34.22 C ATOM 2377 CZ PHE A 153 10.379 -2.808 -1.271 1.00 44.23 C ATOM 0 H PHE A 153 8.316 -4.889 2.240 1.00 53.14 H new ATOM 0 HA PHE A 153 9.835 -7.158 1.786 1.00 35.12 H new ATOM 0 HB2 PHE A 153 10.716 -4.560 3.149 1.00 31.34 H new ATOM 0 HB3 PHE A 153 11.760 -5.672 2.287 1.00 31.34 H new ATOM 0 HD1 PHE A 153 8.913 -3.274 1.727 1.00 34.20 H new ATOM 0 HD2 PHE A 153 12.262 -5.296 0.000 1.00 43.03 H new ATOM 0 HE1 PHE A 153 8.732 -1.873 -0.282 1.00 2.31 H new ATOM 0 HE2 PHE A 153 12.053 -3.913 -2.012 1.00 34.22 H new ATOM 0 HZ PHE A 153 10.294 -2.196 -2.157 1.00 44.23 H new ATOM 2387 N CYS A 154 9.534 -6.364 4.997 1.00 23.34 N ATOM 2388 CA CYS A 154 9.814 -6.665 6.410 1.00 51.11 C ATOM 2389 C CYS A 154 9.382 -8.079 6.824 1.00 65.41 C ATOM 2390 O CYS A 154 10.211 -8.873 7.263 1.00 3.54 O ATOM 2391 CB CYS A 154 9.124 -5.611 7.287 1.00 51.23 C ATOM 2392 SG CYS A 154 7.349 -5.458 6.987 1.00 71.14 S ATOM 0 H CYS A 154 8.882 -5.588 4.881 1.00 23.34 H new ATOM 0 HA CYS A 154 10.894 -6.630 6.550 1.00 51.11 H new ATOM 0 HB2 CYS A 154 9.285 -5.863 8.335 1.00 51.23 H new ATOM 0 HB3 CYS A 154 9.596 -4.644 7.115 1.00 51.23 H new ATOM 0 HG CYS A 154 7.116 -4.378 6.303 1.00 71.14 H new ATOM 2398 N ALA A 155 8.080 -8.389 6.674 1.00 32.20 N ATOM 2399 CA ALA A 155 7.519 -9.699 7.071 1.00 54.03 C ATOM 2400 C ALA A 155 8.164 -10.840 6.268 1.00 65.30 C ATOM 2401 O ALA A 155 8.366 -11.940 6.775 1.00 20.24 O ATOM 2402 CB ALA A 155 5.995 -9.704 6.883 1.00 43.53 C ATOM 0 H ALA A 155 7.392 -7.748 6.279 1.00 32.20 H new ATOM 0 HA ALA A 155 7.743 -9.861 8.126 1.00 54.03 H new ATOM 0 HB1 ALA A 155 5.595 -10.674 7.179 1.00 43.53 H new ATOM 0 HB2 ALA A 155 5.550 -8.924 7.501 1.00 43.53 H new ATOM 0 HB3 ALA A 155 5.757 -9.518 5.836 1.00 43.53 H new ATOM 2408 N TYR A 156 8.506 -10.537 5.012 1.00 70.34 N ATOM 2409 CA TYR A 156 8.991 -11.529 4.043 1.00 34.43 C ATOM 2410 C TYR A 156 10.515 -11.788 4.153 1.00 11.45 C ATOM 2411 O TYR A 156 11.005 -12.775 3.590 1.00 24.11 O ATOM 2412 CB TYR A 156 8.541 -11.096 2.619 1.00 72.32 C ATOM 2413 CG TYR A 156 7.027 -11.304 2.382 1.00 62.14 C ATOM 2414 CD1 TYR A 156 6.073 -10.640 3.163 1.00 14.00 C ATOM 2415 CD2 TYR A 156 6.553 -12.192 1.414 1.00 32.42 C ATOM 2416 CE1 TYR A 156 4.722 -10.854 2.994 1.00 12.20 C ATOM 2417 CE2 TYR A 156 5.202 -12.397 1.234 1.00 13.51 C ATOM 2418 CZ TYR A 156 4.292 -11.730 2.029 1.00 73.14 C ATOM 2419 OH TYR A 156 2.947 -11.956 1.862 1.00 32.43 O ATOM 0 H TYR A 156 8.454 -9.591 4.635 1.00 70.34 H new ATOM 0 HA TYR A 156 8.544 -12.496 4.271 1.00 34.43 H new ATOM 0 HB2 TYR A 156 8.787 -10.045 2.469 1.00 72.32 H new ATOM 0 HB3 TYR A 156 9.102 -11.664 1.877 1.00 72.32 H new ATOM 0 HD1 TYR A 156 6.405 -9.942 3.917 1.00 14.00 H new ATOM 0 HD2 TYR A 156 7.258 -12.728 0.795 1.00 32.42 H new ATOM 0 HE1 TYR A 156 4.007 -10.336 3.616 1.00 12.20 H new ATOM 0 HE2 TYR A 156 4.856 -13.079 0.472 1.00 13.51 H new ATOM 0 HH TYR A 156 2.811 -12.602 1.137 1.00 32.43 H new ATOM 2429 N SER A 157 11.261 -10.931 4.881 1.00 61.00 N ATOM 2430 CA SER A 157 12.698 -11.162 5.186 1.00 12.13 C ATOM 2431 C SER A 157 13.088 -10.507 6.531 1.00 73.03 C ATOM 2432 O SER A 157 12.856 -9.311 6.739 1.00 70.34 O ATOM 2433 CB SER A 157 13.610 -10.636 4.050 1.00 31.21 C ATOM 2434 OG SER A 157 13.483 -11.393 2.859 1.00 53.41 O ATOM 0 H SER A 157 10.893 -10.065 5.273 1.00 61.00 H new ATOM 0 HA SER A 157 12.845 -12.239 5.266 1.00 12.13 H new ATOM 0 HB2 SER A 157 13.363 -9.595 3.843 1.00 31.21 H new ATOM 0 HB3 SER A 157 14.648 -10.658 4.382 1.00 31.21 H new ATOM 0 HG SER A 157 12.656 -11.141 2.398 1.00 53.41 H new ATOM 2440 N ASP A 158 13.745 -11.304 7.397 1.00 21.42 N ATOM 2441 CA ASP A 158 14.100 -10.946 8.797 1.00 1.22 C ATOM 2442 C ASP A 158 15.065 -9.751 8.872 1.00 55.03 C ATOM 2443 O ASP A 158 15.026 -8.968 9.831 1.00 50.24 O ATOM 2444 CB ASP A 158 14.754 -12.164 9.513 1.00 50.53 C ATOM 2445 CG ASP A 158 13.864 -13.413 9.533 1.00 33.23 C ATOM 2446 OD1 ASP A 158 13.711 -14.054 8.469 1.00 24.34 O ATOM 2447 OD2 ASP A 158 13.327 -13.770 10.604 1.00 3.52 O ATOM 0 H ASP A 158 14.055 -12.242 7.141 1.00 21.42 H new ATOM 0 HA ASP A 158 13.171 -10.664 9.293 1.00 1.22 H new ATOM 0 HB2 ASP A 158 15.694 -12.405 9.016 1.00 50.53 H new ATOM 0 HB3 ASP A 158 14.998 -11.885 10.538 1.00 50.53 H new ATOM 2452 N THR A 159 15.941 -9.633 7.856 1.00 52.01 N ATOM 2453 CA THR A 159 16.990 -8.592 7.796 1.00 53.53 C ATOM 2454 C THR A 159 16.394 -7.178 7.560 1.00 45.43 C ATOM 2455 O THR A 159 17.108 -6.175 7.671 1.00 31.32 O ATOM 2456 CB THR A 159 18.071 -8.951 6.705 1.00 35.34 C ATOM 2457 OG1 THR A 159 19.155 -8.007 6.714 1.00 44.15 O ATOM 2458 CG2 THR A 159 17.486 -9.026 5.289 1.00 54.21 C ATOM 0 H THR A 159 15.943 -10.258 7.050 1.00 52.01 H new ATOM 0 HA THR A 159 17.483 -8.567 8.768 1.00 53.53 H new ATOM 0 HB THR A 159 18.441 -9.941 6.972 1.00 35.34 H new ATOM 0 HG1 THR A 159 18.856 -7.169 7.125 1.00 44.15 H new ATOM 0 HG21 THR A 159 18.277 -9.276 4.582 1.00 54.21 H new ATOM 0 HG22 THR A 159 16.712 -9.793 5.255 1.00 54.21 H new ATOM 0 HG23 THR A 159 17.053 -8.062 5.023 1.00 54.21 H new ATOM 2466 N PHE A 160 15.081 -7.115 7.260 1.00 71.33 N ATOM 2467 CA PHE A 160 14.334 -5.855 7.102 1.00 3.44 C ATOM 2468 C PHE A 160 13.591 -5.551 8.412 1.00 40.10 C ATOM 2469 O PHE A 160 13.012 -6.460 9.019 1.00 13.24 O ATOM 2470 CB PHE A 160 13.311 -5.961 5.938 1.00 33.33 C ATOM 2471 CG PHE A 160 13.919 -6.167 4.553 1.00 23.44 C ATOM 2472 CD1 PHE A 160 14.564 -7.343 4.225 1.00 54.14 C ATOM 2473 CD2 PHE A 160 13.849 -5.181 3.581 1.00 55.32 C ATOM 2474 CE1 PHE A 160 15.120 -7.533 2.978 1.00 64.14 C ATOM 2475 CE2 PHE A 160 14.404 -5.370 2.336 1.00 11.14 C ATOM 2476 CZ PHE A 160 15.039 -6.543 2.034 1.00 20.10 C ATOM 0 H PHE A 160 14.506 -7.946 7.120 1.00 71.33 H new ATOM 0 HA PHE A 160 15.035 -5.054 6.870 1.00 3.44 H new ATOM 0 HB2 PHE A 160 12.633 -6.789 6.146 1.00 33.33 H new ATOM 0 HB3 PHE A 160 12.709 -5.052 5.921 1.00 33.33 H new ATOM 0 HD1 PHE A 160 14.634 -8.130 4.961 1.00 54.14 H new ATOM 0 HD2 PHE A 160 13.351 -4.249 3.805 1.00 55.32 H new ATOM 0 HE1 PHE A 160 15.619 -8.462 2.745 1.00 64.14 H new ATOM 0 HE2 PHE A 160 14.338 -4.588 1.594 1.00 11.14 H new ATOM 0 HZ PHE A 160 15.474 -6.688 1.056 1.00 20.10 H new ATOM 2486 N SER A 161 13.623 -4.286 8.846 1.00 33.55 N ATOM 2487 CA SER A 161 12.897 -3.836 10.049 1.00 24.13 C ATOM 2488 C SER A 161 11.434 -3.509 9.694 1.00 75.14 C ATOM 2489 O SER A 161 11.167 -2.905 8.646 1.00 65.32 O ATOM 2490 CB SER A 161 13.601 -2.605 10.655 1.00 52.55 C ATOM 2491 OG SER A 161 14.961 -2.887 10.934 1.00 64.43 O ATOM 0 H SER A 161 14.148 -3.546 8.380 1.00 33.55 H new ATOM 0 HA SER A 161 12.898 -4.636 10.789 1.00 24.13 H new ATOM 0 HB2 SER A 161 13.534 -1.765 9.963 1.00 52.55 H new ATOM 0 HB3 SER A 161 13.092 -2.304 11.571 1.00 52.55 H new ATOM 0 HG SER A 161 15.388 -2.092 11.316 1.00 64.43 H new ATOM 2497 N CYS A 162 10.496 -3.914 10.576 1.00 33.31 N ATOM 2498 CA CYS A 162 9.047 -3.714 10.382 1.00 64.53 C ATOM 2499 C CYS A 162 8.660 -2.224 10.549 1.00 54.24 C ATOM 2500 O CYS A 162 9.262 -1.524 11.375 1.00 21.14 O ATOM 2501 CB CYS A 162 8.266 -4.599 11.385 1.00 32.01 C ATOM 2502 SG CYS A 162 6.460 -4.540 11.223 1.00 0.42 S ATOM 0 H CYS A 162 10.726 -4.392 11.447 1.00 33.31 H new ATOM 0 HA CYS A 162 8.786 -4.007 9.365 1.00 64.53 H new ATOM 0 HB2 CYS A 162 8.592 -5.632 11.264 1.00 32.01 H new ATOM 0 HB3 CYS A 162 8.534 -4.297 12.397 1.00 32.01 H new ATOM 0 HG CYS A 162 6.042 -3.333 11.464 1.00 0.42 H new ATOM 2508 N PRO A 163 7.654 -1.712 9.757 1.00 44.21 N ATOM 2509 CA PRO A 163 7.120 -0.338 9.921 1.00 21.41 C ATOM 2510 C PRO A 163 6.429 -0.135 11.281 1.00 72.11 C ATOM 2511 O PRO A 163 6.108 -1.101 11.985 1.00 41.42 O ATOM 2512 CB PRO A 163 6.093 -0.194 8.756 1.00 74.01 C ATOM 2513 CG PRO A 163 6.421 -1.293 7.799 1.00 32.11 C ATOM 2514 CD PRO A 163 6.967 -2.419 8.642 1.00 64.41 C ATOM 0 HA PRO A 163 7.914 0.408 9.893 1.00 21.41 H new ATOM 0 HB2 PRO A 163 5.070 -0.283 9.121 1.00 74.01 H new ATOM 0 HB3 PRO A 163 6.176 0.782 8.277 1.00 74.01 H new ATOM 0 HG2 PRO A 163 5.535 -1.610 7.248 1.00 32.11 H new ATOM 0 HG3 PRO A 163 7.154 -0.965 7.062 1.00 32.11 H new ATOM 0 HD2 PRO A 163 6.172 -3.069 9.007 1.00 64.41 H new ATOM 0 HD3 PRO A 163 7.657 -3.046 8.077 1.00 64.41 H new ATOM 2522 N LEU A 164 6.169 1.131 11.624 1.00 54.25 N ATOM 2523 CA LEU A 164 5.430 1.511 12.839 1.00 44.24 C ATOM 2524 C LEU A 164 4.143 2.216 12.370 1.00 43.32 C ATOM 2525 O LEU A 164 4.125 3.440 12.222 1.00 41.25 O ATOM 2526 CB LEU A 164 6.304 2.428 13.745 1.00 34.04 C ATOM 2527 CG LEU A 164 7.670 1.822 14.211 1.00 21.04 C ATOM 2528 CD1 LEU A 164 8.516 2.862 14.971 1.00 22.34 C ATOM 2529 CD2 LEU A 164 7.465 0.539 15.055 1.00 63.21 C ATOM 0 H LEU A 164 6.467 1.929 11.063 1.00 54.25 H new ATOM 0 HA LEU A 164 5.178 0.640 13.444 1.00 44.24 H new ATOM 0 HB2 LEU A 164 6.504 3.355 13.207 1.00 34.04 H new ATOM 0 HB3 LEU A 164 5.724 2.692 14.630 1.00 34.04 H new ATOM 0 HG LEU A 164 8.222 1.539 13.315 1.00 21.04 H new ATOM 0 HD11 LEU A 164 9.458 2.409 15.281 1.00 22.34 H new ATOM 0 HD12 LEU A 164 8.719 3.712 14.320 1.00 22.34 H new ATOM 0 HD13 LEU A 164 7.970 3.202 15.851 1.00 22.34 H new ATOM 0 HD21 LEU A 164 8.435 0.146 15.361 1.00 63.21 H new ATOM 0 HD22 LEU A 164 6.874 0.776 15.940 1.00 63.21 H new ATOM 0 HD23 LEU A 164 6.942 -0.209 14.459 1.00 63.21 H new ATOM 2541 N PRO A 165 3.052 1.436 12.062 1.00 64.23 N ATOM 2542 CA PRO A 165 1.846 1.984 11.419 1.00 52.40 C ATOM 2543 C PRO A 165 0.882 2.637 12.445 1.00 3.40 C ATOM 2544 O PRO A 165 0.647 2.066 13.523 1.00 55.42 O ATOM 2545 CB PRO A 165 1.236 0.734 10.747 1.00 32.25 C ATOM 2546 CG PRO A 165 1.567 -0.400 11.681 1.00 21.10 C ATOM 2547 CD PRO A 165 2.902 -0.035 12.327 1.00 14.20 C ATOM 0 HA PRO A 165 2.055 2.791 10.716 1.00 52.40 H new ATOM 0 HB2 PRO A 165 0.159 0.839 10.618 1.00 32.25 H new ATOM 0 HB3 PRO A 165 1.661 0.569 9.757 1.00 32.25 H new ATOM 0 HG2 PRO A 165 0.790 -0.525 12.435 1.00 21.10 H new ATOM 0 HG3 PRO A 165 1.640 -1.343 11.140 1.00 21.10 H new ATOM 0 HD2 PRO A 165 2.898 -0.248 13.396 1.00 14.20 H new ATOM 0 HD3 PRO A 165 3.724 -0.604 11.891 1.00 14.20 H new ATOM 2555 N PRO A 166 0.317 3.849 12.135 1.00 3.24 N ATOM 2556 CA PRO A 166 -0.667 4.515 13.020 1.00 24.00 C ATOM 2557 C PRO A 166 -1.941 3.654 13.118 1.00 41.14 C ATOM 2558 O PRO A 166 -2.707 3.590 12.166 1.00 64.23 O ATOM 2559 CB PRO A 166 -0.929 5.870 12.311 1.00 2.24 C ATOM 2560 CG PRO A 166 -0.602 5.607 10.873 1.00 34.15 C ATOM 2561 CD PRO A 166 0.563 4.640 10.897 1.00 1.43 C ATOM 0 HA PRO A 166 -0.324 4.655 14.045 1.00 24.00 H new ATOM 0 HB2 PRO A 166 -1.965 6.188 12.431 1.00 2.24 H new ATOM 0 HB3 PRO A 166 -0.303 6.662 12.723 1.00 2.24 H new ATOM 0 HG2 PRO A 166 -1.456 5.180 10.347 1.00 34.15 H new ATOM 0 HG3 PRO A 166 -0.337 6.529 10.355 1.00 34.15 H new ATOM 0 HD2 PRO A 166 0.580 4.007 10.010 1.00 1.43 H new ATOM 0 HD3 PRO A 166 1.519 5.161 10.935 1.00 1.43 H new ATOM 2569 N GLU A 167 -2.133 3.013 14.289 1.00 32.12 N ATOM 2570 CA GLU A 167 -3.096 1.895 14.527 1.00 62.32 C ATOM 2571 C GLU A 167 -4.557 2.166 14.081 1.00 51.01 C ATOM 2572 O GLU A 167 -5.370 1.237 14.046 1.00 24.34 O ATOM 2573 CB GLU A 167 -3.029 1.470 16.013 1.00 33.11 C ATOM 2574 CG GLU A 167 -1.614 1.039 16.447 1.00 3.45 C ATOM 2575 CD GLU A 167 -1.509 0.652 17.929 1.00 13.23 C ATOM 2576 OE1 GLU A 167 -1.601 1.552 18.782 1.00 73.23 O ATOM 2577 OE2 GLU A 167 -1.326 -0.542 18.241 1.00 35.53 O ATOM 0 H GLU A 167 -1.609 3.260 15.129 1.00 32.12 H new ATOM 0 HA GLU A 167 -2.776 1.079 13.880 1.00 62.32 H new ATOM 0 HB2 GLU A 167 -3.359 2.299 16.639 1.00 33.11 H new ATOM 0 HB3 GLU A 167 -3.723 0.647 16.182 1.00 33.11 H new ATOM 0 HG2 GLU A 167 -1.300 0.192 15.837 1.00 3.45 H new ATOM 0 HG3 GLU A 167 -0.918 1.853 16.244 1.00 3.45 H new ATOM 2584 N SER A 168 -4.886 3.432 13.763 1.00 22.23 N ATOM 2585 CA SER A 168 -6.174 3.811 13.133 1.00 23.13 C ATOM 2586 C SER A 168 -6.297 3.266 11.679 1.00 12.30 C ATOM 2587 O SER A 168 -7.394 3.270 11.104 1.00 23.12 O ATOM 2588 CB SER A 168 -6.320 5.349 13.143 1.00 45.24 C ATOM 2589 OG SER A 168 -6.142 5.857 14.453 1.00 41.20 O ATOM 0 H SER A 168 -4.268 4.225 13.934 1.00 22.23 H new ATOM 0 HA SER A 168 -6.978 3.360 13.714 1.00 23.13 H new ATOM 0 HB2 SER A 168 -5.586 5.794 12.471 1.00 45.24 H new ATOM 0 HB3 SER A 168 -7.305 5.629 12.769 1.00 45.24 H new ATOM 0 HG SER A 168 -6.236 6.832 14.441 1.00 41.20 H new ATOM 2595 N ASN A 169 -5.171 2.758 11.119 1.00 21.34 N ATOM 2596 CA ASN A 169 -5.111 2.182 9.759 1.00 13.23 C ATOM 2597 C ASN A 169 -5.342 0.657 9.806 1.00 13.10 C ATOM 2598 O ASN A 169 -5.284 -0.027 8.773 1.00 42.54 O ATOM 2599 CB ASN A 169 -3.745 2.507 9.070 1.00 62.43 C ATOM 2600 CG ASN A 169 -2.532 1.701 9.600 1.00 34.03 C ATOM 2601 OD1 ASN A 169 -2.467 1.298 10.759 1.00 23.42 O ATOM 2602 ND2 ASN A 169 -1.556 1.465 8.748 1.00 13.03 N ATOM 0 H ASN A 169 -4.274 2.738 11.605 1.00 21.34 H new ATOM 0 HA ASN A 169 -5.905 2.636 9.166 1.00 13.23 H new ATOM 0 HB2 ASN A 169 -3.843 2.324 8.000 1.00 62.43 H new ATOM 0 HB3 ASN A 169 -3.537 3.570 9.194 1.00 62.43 H new ATOM 0 HD21 ASN A 169 -0.733 0.942 9.047 1.00 13.03 H new ATOM 0 HD22 ASN A 169 -1.623 1.805 7.789 1.00 13.03 H new ATOM 2609 N TRP A 170 -5.579 0.133 11.026 1.00 71.22 N ATOM 2610 CA TRP A 170 -5.855 -1.286 11.242 1.00 44.42 C ATOM 2611 C TRP A 170 -7.309 -1.578 10.866 1.00 23.25 C ATOM 2612 O TRP A 170 -8.239 -1.024 11.458 1.00 43.35 O ATOM 2613 CB TRP A 170 -5.567 -1.700 12.711 1.00 12.44 C ATOM 2614 CG TRP A 170 -4.094 -1.778 13.075 1.00 13.32 C ATOM 2615 CD1 TRP A 170 -3.021 -1.360 12.334 1.00 13.44 C ATOM 2616 CD2 TRP A 170 -3.548 -2.320 14.284 1.00 64.22 C ATOM 2617 NE1 TRP A 170 -1.854 -1.616 13.005 1.00 63.01 N ATOM 2618 CE2 TRP A 170 -2.151 -2.199 14.204 1.00 51.32 C ATOM 2619 CE3 TRP A 170 -4.110 -2.890 15.429 1.00 4.14 C ATOM 2620 CZ2 TRP A 170 -1.307 -2.642 15.216 1.00 44.51 C ATOM 2621 CZ3 TRP A 170 -3.270 -3.325 16.438 1.00 12.43 C ATOM 2622 CH2 TRP A 170 -1.881 -3.193 16.327 1.00 74.45 C ATOM 0 H TRP A 170 -5.583 0.688 11.882 1.00 71.22 H new ATOM 0 HA TRP A 170 -5.193 -1.876 10.608 1.00 44.42 H new ATOM 0 HB2 TRP A 170 -6.054 -0.987 13.376 1.00 12.44 H new ATOM 0 HB3 TRP A 170 -6.024 -2.672 12.896 1.00 12.44 H new ATOM 0 HD1 TRP A 170 -3.085 -0.896 11.361 1.00 13.44 H new ATOM 0 HE1 TRP A 170 -0.916 -1.405 12.664 1.00 63.01 H new ATOM 0 HE3 TRP A 170 -5.181 -2.989 15.525 1.00 4.14 H new ATOM 0 HZ2 TRP A 170 -0.234 -2.554 15.127 1.00 44.51 H new ATOM 0 HZ3 TRP A 170 -3.692 -3.773 17.325 1.00 12.43 H new ATOM 0 HH2 TRP A 170 -1.251 -3.533 17.135 1.00 74.45 H new ATOM 2633 N LEU A 171 -7.484 -2.429 9.856 1.00 15.04 N ATOM 2634 CA LEU A 171 -8.807 -2.831 9.374 1.00 61.00 C ATOM 2635 C LEU A 171 -9.210 -4.079 10.169 1.00 2.22 C ATOM 2636 O LEU A 171 -8.498 -5.088 10.111 1.00 53.23 O ATOM 2637 CB LEU A 171 -8.743 -3.124 7.842 1.00 73.31 C ATOM 2638 CG LEU A 171 -7.905 -2.117 6.976 1.00 72.30 C ATOM 2639 CD1 LEU A 171 -7.799 -2.578 5.512 1.00 73.12 C ATOM 2640 CD2 LEU A 171 -8.464 -0.684 7.064 1.00 12.33 C ATOM 0 H LEU A 171 -6.712 -2.860 9.347 1.00 15.04 H new ATOM 0 HA LEU A 171 -9.546 -2.043 9.519 1.00 61.00 H new ATOM 0 HB2 LEU A 171 -8.329 -4.123 7.702 1.00 73.31 H new ATOM 0 HB3 LEU A 171 -9.762 -3.143 7.454 1.00 73.31 H new ATOM 0 HG LEU A 171 -6.898 -2.104 7.393 1.00 72.30 H new ATOM 0 HD11 LEU A 171 -7.212 -1.856 4.945 1.00 73.12 H new ATOM 0 HD12 LEU A 171 -7.312 -3.553 5.472 1.00 73.12 H new ATOM 0 HD13 LEU A 171 -8.797 -2.653 5.081 1.00 73.12 H new ATOM 0 HD21 LEU A 171 -7.856 -0.018 6.451 1.00 12.33 H new ATOM 0 HD22 LEU A 171 -9.492 -0.672 6.703 1.00 12.33 H new ATOM 0 HD23 LEU A 171 -8.439 -0.347 8.100 1.00 12.33 H new ATOM 2652 N GLU A 172 -10.308 -4.015 10.948 1.00 65.43 N ATOM 2653 CA GLU A 172 -10.748 -5.162 11.776 1.00 22.23 C ATOM 2654 C GLU A 172 -11.632 -6.104 10.921 1.00 24.50 C ATOM 2655 O GLU A 172 -12.808 -6.366 11.208 1.00 25.22 O ATOM 2656 CB GLU A 172 -11.448 -4.670 13.074 1.00 61.43 C ATOM 2657 CG GLU A 172 -11.674 -5.783 14.127 1.00 3.42 C ATOM 2658 CD GLU A 172 -12.117 -5.243 15.491 1.00 33.12 C ATOM 2659 OE1 GLU A 172 -11.243 -4.940 16.337 1.00 24.11 O ATOM 2660 OE2 GLU A 172 -13.335 -5.109 15.727 1.00 70.21 O ATOM 0 H GLU A 172 -10.904 -3.190 11.023 1.00 65.43 H new ATOM 0 HA GLU A 172 -9.883 -5.738 12.105 1.00 22.23 H new ATOM 0 HB2 GLU A 172 -10.847 -3.878 13.521 1.00 61.43 H new ATOM 0 HB3 GLU A 172 -12.411 -4.231 12.812 1.00 61.43 H new ATOM 0 HG2 GLU A 172 -12.428 -6.477 13.756 1.00 3.42 H new ATOM 0 HG3 GLU A 172 -10.751 -6.350 14.250 1.00 3.42 H new ATOM 2667 N THR A 173 -11.001 -6.600 9.847 1.00 31.40 N ATOM 2668 CA THR A 173 -11.598 -7.467 8.842 1.00 22.31 C ATOM 2669 C THR A 173 -10.467 -8.169 8.065 1.00 65.14 C ATOM 2670 O THR A 173 -9.337 -7.656 8.000 1.00 10.40 O ATOM 2671 CB THR A 173 -12.503 -6.660 7.862 1.00 23.50 C ATOM 2672 OG1 THR A 173 -13.182 -7.567 6.992 1.00 54.41 O ATOM 2673 CG2 THR A 173 -11.706 -5.626 7.033 1.00 70.40 C ATOM 0 H THR A 173 -10.021 -6.395 9.654 1.00 31.40 H new ATOM 0 HA THR A 173 -12.230 -8.204 9.338 1.00 22.31 H new ATOM 0 HB THR A 173 -13.222 -6.100 8.460 1.00 23.50 H new ATOM 0 HG1 THR A 173 -13.626 -7.064 6.277 1.00 54.41 H new ATOM 0 HG21 THR A 173 -12.385 -5.092 6.367 1.00 70.40 H new ATOM 0 HG22 THR A 173 -11.223 -4.916 7.704 1.00 70.40 H new ATOM 0 HG23 THR A 173 -10.948 -6.140 6.442 1.00 70.40 H new ATOM 2681 N ALA A 174 -10.763 -9.335 7.496 1.00 24.31 N ATOM 2682 CA ALA A 174 -9.782 -10.128 6.743 1.00 43.03 C ATOM 2683 C ALA A 174 -9.947 -9.826 5.255 1.00 73.22 C ATOM 2684 O ALA A 174 -10.888 -10.329 4.618 1.00 32.52 O ATOM 2685 CB ALA A 174 -9.960 -11.624 7.036 1.00 15.25 C ATOM 0 H ALA A 174 -11.689 -9.761 7.541 1.00 24.31 H new ATOM 0 HA ALA A 174 -8.771 -9.859 7.050 1.00 43.03 H new ATOM 0 HB1 ALA A 174 -9.225 -12.196 6.470 1.00 15.25 H new ATOM 0 HB2 ALA A 174 -9.818 -11.805 8.101 1.00 15.25 H new ATOM 0 HB3 ALA A 174 -10.964 -11.935 6.745 1.00 15.25 H new ATOM 2691 N VAL A 175 -9.091 -8.915 4.748 1.00 13.43 N ATOM 2692 CA VAL A 175 -8.994 -8.598 3.313 1.00 4.40 C ATOM 2693 C VAL A 175 -8.694 -9.880 2.494 1.00 72.32 C ATOM 2694 O VAL A 175 -7.542 -10.276 2.288 1.00 51.44 O ATOM 2695 CB VAL A 175 -7.924 -7.464 3.037 1.00 75.30 C ATOM 2696 CG1 VAL A 175 -7.693 -7.235 1.521 1.00 40.21 C ATOM 2697 CG2 VAL A 175 -8.342 -6.138 3.734 1.00 20.01 C ATOM 0 H VAL A 175 -8.446 -8.378 5.327 1.00 13.43 H new ATOM 0 HA VAL A 175 -9.958 -8.207 2.987 1.00 4.40 H new ATOM 0 HB VAL A 175 -6.978 -7.802 3.460 1.00 75.30 H new ATOM 0 HG11 VAL A 175 -6.951 -6.449 1.381 1.00 40.21 H new ATOM 0 HG12 VAL A 175 -7.335 -8.157 1.064 1.00 40.21 H new ATOM 0 HG13 VAL A 175 -8.630 -6.938 1.051 1.00 40.21 H new ATOM 0 HG21 VAL A 175 -7.595 -5.370 3.533 1.00 20.01 H new ATOM 0 HG22 VAL A 175 -9.309 -5.813 3.349 1.00 20.01 H new ATOM 0 HG23 VAL A 175 -8.416 -6.300 4.809 1.00 20.01 H new ATOM 2707 N THR A 176 -9.782 -10.553 2.093 1.00 1.32 N ATOM 2708 CA THR A 176 -9.751 -11.797 1.324 1.00 1.20 C ATOM 2709 C THR A 176 -10.102 -11.502 -0.139 1.00 43.21 C ATOM 2710 O THR A 176 -11.262 -11.265 -0.466 1.00 32.14 O ATOM 2711 CB THR A 176 -10.766 -12.829 1.937 1.00 71.45 C ATOM 2712 OG1 THR A 176 -12.043 -12.194 2.131 1.00 1.01 O ATOM 2713 CG2 THR A 176 -10.284 -13.388 3.285 1.00 35.34 C ATOM 0 H THR A 176 -10.729 -10.236 2.301 1.00 1.32 H new ATOM 0 HA THR A 176 -8.751 -12.228 1.367 1.00 1.20 H new ATOM 0 HB THR A 176 -10.847 -13.658 1.234 1.00 71.45 H new ATOM 0 HG1 THR A 176 -12.238 -11.612 1.367 1.00 1.01 H new ATOM 0 HG21 THR A 176 -11.018 -14.096 3.669 1.00 35.34 H new ATOM 0 HG22 THR A 176 -9.328 -13.894 3.148 1.00 35.34 H new ATOM 0 HG23 THR A 176 -10.163 -12.570 3.996 1.00 35.34 H new ATOM 2721 N ALA A 177 -9.087 -11.497 -1.005 1.00 11.15 N ATOM 2722 CA ALA A 177 -9.246 -11.176 -2.425 1.00 63.13 C ATOM 2723 C ALA A 177 -8.369 -12.114 -3.256 1.00 0.51 C ATOM 2724 O ALA A 177 -7.156 -12.177 -3.033 1.00 75.12 O ATOM 2725 CB ALA A 177 -8.881 -9.708 -2.667 1.00 13.32 C ATOM 0 H ALA A 177 -8.127 -11.717 -0.740 1.00 11.15 H new ATOM 0 HA ALA A 177 -10.284 -11.318 -2.728 1.00 63.13 H new ATOM 0 HB1 ALA A 177 -9.001 -9.473 -3.725 1.00 13.32 H new ATOM 0 HB2 ALA A 177 -9.537 -9.068 -2.077 1.00 13.32 H new ATOM 0 HB3 ALA A 177 -7.846 -9.537 -2.372 1.00 13.32 H new ATOM 2731 N GLY A 178 -9.001 -12.825 -4.210 1.00 62.25 N ATOM 2732 CA GLY A 178 -8.317 -13.831 -5.024 1.00 74.45 C ATOM 2733 C GLY A 178 -7.537 -14.879 -4.221 1.00 14.31 C ATOM 2734 O GLY A 178 -7.957 -15.293 -3.139 1.00 55.01 O ATOM 0 H GLY A 178 -9.991 -12.715 -4.432 1.00 62.25 H new ATOM 0 HA2 GLY A 178 -9.055 -14.342 -5.643 1.00 74.45 H new ATOM 0 HA3 GLY A 178 -7.629 -13.325 -5.701 1.00 74.45 H new ATOM 2738 N GLU A 179 -6.421 -15.319 -4.797 1.00 3.11 N ATOM 2739 CA GLU A 179 -5.440 -16.191 -4.143 1.00 24.53 C ATOM 2740 C GLU A 179 -4.512 -15.358 -3.238 1.00 52.33 C ATOM 2741 O GLU A 179 -4.372 -14.148 -3.412 1.00 35.42 O ATOM 2742 CB GLU A 179 -4.619 -16.953 -5.206 1.00 53.25 C ATOM 2743 CG GLU A 179 -5.469 -17.898 -6.078 1.00 4.14 C ATOM 2744 CD GLU A 179 -4.670 -18.543 -7.216 1.00 51.32 C ATOM 2745 OE1 GLU A 179 -4.018 -19.577 -6.997 1.00 61.05 O ATOM 2746 OE2 GLU A 179 -4.666 -17.997 -8.337 1.00 72.40 O ATOM 0 H GLU A 179 -6.165 -15.075 -5.754 1.00 3.11 H new ATOM 0 HA GLU A 179 -5.966 -16.917 -3.524 1.00 24.53 H new ATOM 0 HB2 GLU A 179 -4.115 -16.232 -5.850 1.00 53.25 H new ATOM 0 HB3 GLU A 179 -3.842 -17.532 -4.707 1.00 53.25 H new ATOM 0 HG2 GLU A 179 -5.892 -18.681 -5.449 1.00 4.14 H new ATOM 0 HG3 GLU A 179 -6.306 -17.341 -6.499 1.00 4.14 H new ATOM 2753 N ARG A 180 -3.861 -16.044 -2.298 1.00 31.34 N ATOM 2754 CA ARG A 180 -3.033 -15.423 -1.246 1.00 63.31 C ATOM 2755 C ARG A 180 -1.712 -16.194 -1.099 1.00 63.31 C ATOM 2756 O ARG A 180 -1.684 -17.408 -1.344 1.00 4.33 O ATOM 2757 CB ARG A 180 -3.845 -15.396 0.100 1.00 3.42 C ATOM 2758 CG ARG A 180 -4.508 -16.746 0.536 1.00 51.14 C ATOM 2759 CD ARG A 180 -3.559 -17.719 1.275 1.00 25.45 C ATOM 2760 NE ARG A 180 -4.116 -19.082 1.388 1.00 13.21 N ATOM 2761 CZ ARG A 180 -3.511 -20.205 0.956 1.00 40.15 C ATOM 2762 NH1 ARG A 180 -2.329 -20.160 0.361 1.00 42.43 N ATOM 2763 NH2 ARG A 180 -4.098 -21.373 1.127 1.00 32.00 N ATOM 0 H ARG A 180 -3.890 -17.062 -2.239 1.00 31.34 H new ATOM 0 HA ARG A 180 -2.786 -14.396 -1.517 1.00 63.31 H new ATOM 0 HB2 ARG A 180 -3.176 -15.070 0.897 1.00 3.42 H new ATOM 0 HB3 ARG A 180 -4.628 -14.643 0.013 1.00 3.42 H new ATOM 0 HG2 ARG A 180 -5.358 -16.526 1.182 1.00 51.14 H new ATOM 0 HG3 ARG A 180 -4.902 -17.245 -0.349 1.00 51.14 H new ATOM 0 HD2 ARG A 180 -2.607 -17.763 0.747 1.00 25.45 H new ATOM 0 HD3 ARG A 180 -3.353 -17.331 2.273 1.00 25.45 H new ATOM 0 HE ARG A 180 -5.031 -19.181 1.828 1.00 13.21 H new ATOM 0 HH11 ARG A 180 -1.861 -19.264 0.223 1.00 42.43 H new ATOM 0 HH12 ARG A 180 -1.886 -21.021 0.041 1.00 42.43 H new ATOM 0 HH21 ARG A 180 -5.008 -21.424 1.585 1.00 32.00 H new ATOM 0 HH22 ARG A 180 -3.642 -22.225 0.801 1.00 32.00 H new