USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 904 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 30 ASN : amide:sc= -0.0988 K(o=-3.1,f=-5!) USER MOD Set 1.2: A 35 ASN : amide:sc= -3 K(o=-3.1,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0268 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.362 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.0135 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.233 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.88) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0512 (180deg=-0.445) USER MOD Single : A 45 THR OG1 : rot 55:sc= -0.711 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 48 GLN : amide:sc= -0.0702 K(o=-0.07,f=-1.6!) USER MOD Single : A 55 TYR OH : rot 130:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.62 USER MOD Single : A 59 HIS : no HE2:sc= -7.82! C(o=-7.8!,f=-8.1!) USER MOD Single : A 62 GLN : amide:sc= -0.0348 K(o=-0.035,f=-1.6!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.139 USER MOD Single : A 67 SER OG : rot 11:sc= 0.65! USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.18) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.4) USER MOD Single : A 88 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.66) USER MOD Single : A 89 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.16!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 58:sc= 0.152 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -31:sc= 0.422 USER MOD Single : A 108 SER OG : rot -80:sc= -0.488 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0.011) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 43:sc= 0.0837 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.942 43.483 -8.290 1.00 0.00 N ATOM 2 CA GLY A 1 -44.534 42.137 -8.647 1.00 0.00 C ATOM 3 C GLY A 1 -44.509 41.202 -7.454 1.00 0.00 C ATOM 4 O GLY A 1 -45.300 41.353 -6.522 1.00 0.00 O ATOM 0 H1 GLY A 1 -45.620 43.838 -8.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.390 43.472 -7.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.108 44.104 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -45.216 41.742 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -43.543 42.169 -9.100 1.00 0.00 H new ATOM 8 N SER A 2 -43.601 40.232 -7.482 1.00 0.00 N ATOM 9 CA SER A 2 -43.481 39.265 -6.397 1.00 0.00 C ATOM 10 C SER A 2 -42.221 38.421 -6.559 1.00 0.00 C ATOM 11 O SER A 2 -42.133 37.582 -7.456 1.00 0.00 O ATOM 12 CB SER A 2 -44.713 38.360 -6.353 1.00 0.00 C ATOM 13 OG SER A 2 -44.964 37.779 -7.621 1.00 0.00 O ATOM 0 H SER A 2 -42.937 40.095 -8.244 1.00 0.00 H new ATOM 0 HA SER A 2 -43.410 39.816 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 -44.565 37.574 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.581 38.937 -6.036 1.00 0.00 H new ATOM 0 HG SER A 2 -44.113 37.547 -8.049 1.00 0.00 H new ATOM 19 N SER A 3 -41.247 38.649 -5.683 1.00 0.00 N ATOM 20 CA SER A 3 -39.989 37.913 -5.730 1.00 0.00 C ATOM 21 C SER A 3 -39.728 37.197 -4.408 1.00 0.00 C ATOM 22 O SER A 3 -40.396 37.455 -3.408 1.00 0.00 O ATOM 23 CB SER A 3 -38.830 38.860 -6.048 1.00 0.00 C ATOM 24 OG SER A 3 -39.091 39.609 -7.222 1.00 0.00 O ATOM 0 H SER A 3 -41.305 39.337 -4.933 1.00 0.00 H new ATOM 0 HA SER A 3 -40.064 37.165 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.669 39.537 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 3 -37.912 38.286 -6.175 1.00 0.00 H new ATOM 0 HG SER A 3 -38.336 40.208 -7.403 1.00 0.00 H new ATOM 30 N GLY A 4 -38.751 36.296 -4.413 1.00 0.00 N ATOM 31 CA GLY A 4 -38.418 35.556 -3.209 1.00 0.00 C ATOM 32 C GLY A 4 -36.953 35.174 -3.149 1.00 0.00 C ATOM 33 O GLY A 4 -36.139 35.688 -3.917 1.00 0.00 O ATOM 0 H GLY A 4 -38.184 36.065 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.669 36.158 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.028 34.654 -3.161 1.00 0.00 H new ATOM 37 N SER A 5 -36.615 34.272 -2.234 1.00 0.00 N ATOM 38 CA SER A 5 -35.236 33.826 -2.073 1.00 0.00 C ATOM 39 C SER A 5 -35.181 32.334 -1.756 1.00 0.00 C ATOM 40 O SER A 5 -36.210 31.699 -1.527 1.00 0.00 O ATOM 41 CB SER A 5 -34.546 34.621 -0.963 1.00 0.00 C ATOM 42 OG SER A 5 -34.061 35.860 -1.449 1.00 0.00 O ATOM 0 H SER A 5 -37.277 33.835 -1.593 1.00 0.00 H new ATOM 0 HA SER A 5 -34.712 34.000 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.247 34.796 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.720 34.039 -0.554 1.00 0.00 H new ATOM 0 HG SER A 5 -34.529 36.092 -2.278 1.00 0.00 H new ATOM 48 N SER A 6 -33.972 31.782 -1.744 1.00 0.00 N ATOM 49 CA SER A 6 -33.781 30.365 -1.459 1.00 0.00 C ATOM 50 C SER A 6 -32.713 30.165 -0.388 1.00 0.00 C ATOM 51 O SER A 6 -31.882 31.042 -0.153 1.00 0.00 O ATOM 52 CB SER A 6 -33.389 29.615 -2.733 1.00 0.00 C ATOM 53 OG SER A 6 -34.534 29.147 -3.423 1.00 0.00 O ATOM 0 H SER A 6 -33.110 32.295 -1.928 1.00 0.00 H new ATOM 0 HA SER A 6 -34.724 29.965 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.813 30.273 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.744 28.773 -2.479 1.00 0.00 H new ATOM 0 HG SER A 6 -34.256 28.673 -4.234 1.00 0.00 H new ATOM 59 N GLY A 7 -32.742 29.004 0.259 1.00 0.00 N ATOM 60 CA GLY A 7 -31.772 28.709 1.297 1.00 0.00 C ATOM 61 C GLY A 7 -30.944 27.478 0.984 1.00 0.00 C ATOM 62 O GLY A 7 -31.428 26.352 1.098 1.00 0.00 O ATOM 0 H GLY A 7 -33.420 28.263 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.110 29.565 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.291 28.563 2.244 1.00 0.00 H new ATOM 66 N TRP A 8 -29.695 27.693 0.588 1.00 0.00 N ATOM 67 CA TRP A 8 -28.799 26.591 0.256 1.00 0.00 C ATOM 68 C TRP A 8 -28.215 25.966 1.517 1.00 0.00 C ATOM 69 O TRP A 8 -27.176 26.403 2.014 1.00 0.00 O ATOM 70 CB TRP A 8 -27.672 27.081 -0.655 1.00 0.00 C ATOM 71 CG TRP A 8 -27.131 26.013 -1.557 1.00 0.00 C ATOM 72 CD1 TRP A 8 -27.608 25.660 -2.787 1.00 0.00 C ATOM 73 CD2 TRP A 8 -26.011 25.159 -1.299 1.00 0.00 C ATOM 74 NE1 TRP A 8 -26.853 24.638 -3.309 1.00 0.00 N ATOM 75 CE2 TRP A 8 -25.866 24.313 -2.416 1.00 0.00 C ATOM 76 CE3 TRP A 8 -25.116 25.028 -0.234 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -24.863 23.350 -2.495 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -24.121 24.072 -0.314 1.00 0.00 C ATOM 79 CH2 TRP A 8 -24.001 23.244 -1.438 1.00 0.00 C ATOM 0 H TRP A 8 -29.280 28.619 0.489 1.00 0.00 H new ATOM 0 HA TRP A 8 -29.377 25.830 -0.269 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -28.039 27.908 -1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -26.862 27.472 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -28.455 26.117 -3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -27.003 24.193 -4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -25.200 25.662 0.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -24.769 22.710 -3.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -23.424 23.961 0.504 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -23.212 22.507 -1.471 1.00 0.00 H new ATOM 90 N ILE A 9 -28.888 24.941 2.031 1.00 0.00 N ATOM 91 CA ILE A 9 -28.433 24.256 3.234 1.00 0.00 C ATOM 92 C ILE A 9 -28.410 22.745 3.030 1.00 0.00 C ATOM 93 O ILE A 9 -29.415 22.144 2.646 1.00 0.00 O ATOM 94 CB ILE A 9 -29.329 24.586 4.443 1.00 0.00 C ATOM 95 CG1 ILE A 9 -29.356 26.096 4.688 1.00 0.00 C ATOM 96 CG2 ILE A 9 -28.839 23.851 5.681 1.00 0.00 C ATOM 97 CD1 ILE A 9 -30.478 26.540 5.600 1.00 0.00 C ATOM 0 H ILE A 9 -29.750 24.567 1.633 1.00 0.00 H new ATOM 0 HA ILE A 9 -27.421 24.609 3.435 1.00 0.00 H new ATOM 0 HB ILE A 9 -30.344 24.254 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -28.404 26.403 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -29.451 26.610 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -29.482 24.094 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -28.867 22.776 5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -27.816 24.155 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -30.436 27.622 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -31.436 26.264 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -30.372 26.054 6.570 1.00 0.00 H new ATOM 109 N LEU A 10 -27.259 22.135 3.291 1.00 0.00 N ATOM 110 CA LEU A 10 -27.105 20.693 3.139 1.00 0.00 C ATOM 111 C LEU A 10 -26.101 20.143 4.146 1.00 0.00 C ATOM 112 O LEU A 10 -25.304 20.889 4.714 1.00 0.00 O ATOM 113 CB LEU A 10 -26.654 20.356 1.716 1.00 0.00 C ATOM 114 CG LEU A 10 -27.735 20.420 0.636 1.00 0.00 C ATOM 115 CD1 LEU A 10 -27.127 20.799 -0.705 1.00 0.00 C ATOM 116 CD2 LEU A 10 -28.468 19.091 0.535 1.00 0.00 C ATOM 0 H LEU A 10 -26.418 22.617 3.609 1.00 0.00 H new ATOM 0 HA LEU A 10 -28.072 20.227 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -25.851 21.040 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -26.231 19.352 1.719 1.00 0.00 H new ATOM 0 HG LEU A 10 -28.456 21.189 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -27.911 20.840 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -26.649 21.775 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -26.385 20.054 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -29.233 19.155 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -27.759 18.303 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -28.937 18.861 1.491 1.00 0.00 H new ATOM 128 N ALA A 11 -26.144 18.832 4.362 1.00 0.00 N ATOM 129 CA ALA A 11 -25.236 18.181 5.298 1.00 0.00 C ATOM 130 C ALA A 11 -24.757 16.839 4.755 1.00 0.00 C ATOM 131 O ALA A 11 -25.314 16.315 3.790 1.00 0.00 O ATOM 132 CB ALA A 11 -25.912 17.996 6.648 1.00 0.00 C ATOM 0 H ALA A 11 -26.799 18.200 3.901 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.365 18.823 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -25.222 17.509 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -26.198 18.969 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -26.802 17.378 6.528 1.00 0.00 H new ATOM 138 N SER A 12 -23.722 16.288 5.381 1.00 0.00 N ATOM 139 CA SER A 12 -23.166 15.008 4.957 1.00 0.00 C ATOM 140 C SER A 12 -22.203 14.460 6.006 1.00 0.00 C ATOM 141 O SER A 12 -21.285 15.153 6.447 1.00 0.00 O ATOM 142 CB SER A 12 -22.444 15.160 3.616 1.00 0.00 C ATOM 143 OG SER A 12 -21.660 14.016 3.327 1.00 0.00 O ATOM 0 H SER A 12 -23.252 16.707 6.183 1.00 0.00 H new ATOM 0 HA SER A 12 -23.989 14.303 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.174 15.315 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 12 -21.807 16.044 3.640 1.00 0.00 H new ATOM 0 HG SER A 12 -21.210 14.137 2.465 1.00 0.00 H new ATOM 149 N THR A 13 -22.420 13.210 6.403 1.00 0.00 N ATOM 150 CA THR A 13 -21.574 12.568 7.401 1.00 0.00 C ATOM 151 C THR A 13 -20.227 12.170 6.807 1.00 0.00 C ATOM 152 O THR A 13 -20.138 11.802 5.635 1.00 0.00 O ATOM 153 CB THR A 13 -22.251 11.317 7.991 1.00 0.00 C ATOM 154 OG1 THR A 13 -22.520 10.369 6.952 1.00 0.00 O ATOM 155 CG2 THR A 13 -23.548 11.685 8.696 1.00 0.00 C ATOM 0 H THR A 13 -23.175 12.622 6.048 1.00 0.00 H new ATOM 0 HA THR A 13 -21.416 13.296 8.196 1.00 0.00 H new ATOM 0 HB THR A 13 -21.572 10.874 8.720 1.00 0.00 H new ATOM 0 HG1 THR A 13 -22.949 9.576 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.008 10.785 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 13 -23.337 12.384 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 13 -24.230 12.150 7.984 1.00 0.00 H new ATOM 163 N THR A 14 -19.180 12.246 7.622 1.00 0.00 N ATOM 164 CA THR A 14 -17.838 11.895 7.177 1.00 0.00 C ATOM 165 C THR A 14 -17.224 10.825 8.072 1.00 0.00 C ATOM 166 O THR A 14 -16.239 10.185 7.704 1.00 0.00 O ATOM 167 CB THR A 14 -16.912 13.126 7.159 1.00 0.00 C ATOM 168 OG1 THR A 14 -15.656 12.785 6.560 1.00 0.00 O ATOM 169 CG2 THR A 14 -16.682 13.651 8.568 1.00 0.00 C ATOM 0 H THR A 14 -19.236 12.548 8.595 1.00 0.00 H new ATOM 0 HA THR A 14 -17.933 11.506 6.163 1.00 0.00 H new ATOM 0 HB THR A 14 -17.394 13.908 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.451 11.844 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.025 14.520 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.636 13.937 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.219 12.873 9.175 1.00 0.00 H new ATOM 177 N GLU A 15 -17.813 10.635 9.249 1.00 0.00 N ATOM 178 CA GLU A 15 -17.322 9.641 10.197 1.00 0.00 C ATOM 179 C GLU A 15 -17.220 8.267 9.540 1.00 0.00 C ATOM 180 O GLU A 15 -17.955 7.959 8.602 1.00 0.00 O ATOM 181 CB GLU A 15 -18.244 9.568 11.416 1.00 0.00 C ATOM 182 CG GLU A 15 -19.638 9.057 11.095 1.00 0.00 C ATOM 183 CD GLU A 15 -20.515 8.942 12.327 1.00 0.00 C ATOM 184 OE1 GLU A 15 -20.460 7.889 12.997 1.00 0.00 O ATOM 185 OE2 GLU A 15 -21.256 9.903 12.621 1.00 0.00 O ATOM 0 H GLU A 15 -18.630 11.156 9.569 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.327 9.945 10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.791 8.918 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.323 10.560 11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.111 9.728 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.562 8.081 10.615 1.00 0.00 H new ATOM 192 N GLY A 16 -16.301 7.446 10.039 1.00 0.00 N ATOM 193 CA GLY A 16 -16.118 6.115 9.489 1.00 0.00 C ATOM 194 C GLY A 16 -14.656 5.737 9.363 1.00 0.00 C ATOM 195 O GLY A 16 -14.227 4.709 9.886 1.00 0.00 O ATOM 0 H GLY A 16 -15.680 7.679 10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.624 5.389 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.590 6.062 8.508 1.00 0.00 H new ATOM 199 N ALA A 17 -13.889 6.568 8.665 1.00 0.00 N ATOM 200 CA ALA A 17 -12.467 6.315 8.472 1.00 0.00 C ATOM 201 C ALA A 17 -11.620 7.310 9.258 1.00 0.00 C ATOM 202 O ALA A 17 -12.117 8.308 9.780 1.00 0.00 O ATOM 203 CB ALA A 17 -12.116 6.374 6.992 1.00 0.00 C ATOM 0 H ALA A 17 -14.229 7.422 8.224 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.248 5.315 8.847 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.051 6.183 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.688 5.619 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.358 7.362 6.600 1.00 0.00 H new ATOM 209 N PRO A 18 -10.311 7.034 9.347 1.00 0.00 N ATOM 210 CA PRO A 18 -9.367 7.893 10.068 1.00 0.00 C ATOM 211 C PRO A 18 -9.138 9.224 9.361 1.00 0.00 C ATOM 212 O PRO A 18 -8.387 10.073 9.842 1.00 0.00 O ATOM 213 CB PRO A 18 -8.078 7.068 10.086 1.00 0.00 C ATOM 214 CG PRO A 18 -8.186 6.171 8.902 1.00 0.00 C ATOM 215 CD PRO A 18 -9.650 5.861 8.750 1.00 0.00 C ATOM 0 HA PRO A 18 -9.733 8.158 11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.198 7.707 10.019 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.987 6.496 11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.795 6.656 8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.607 5.259 9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.927 5.733 7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.922 4.940 9.267 1.00 0.00 H new ATOM 223 N SER A 19 -9.791 9.401 8.217 1.00 0.00 N ATOM 224 CA SER A 19 -9.656 10.629 7.441 1.00 0.00 C ATOM 225 C SER A 19 -8.205 11.099 7.418 1.00 0.00 C ATOM 226 O SER A 19 -7.929 12.298 7.370 1.00 0.00 O ATOM 227 CB SER A 19 -10.550 11.725 8.022 1.00 0.00 C ATOM 228 OG SER A 19 -10.943 12.647 7.020 1.00 0.00 O ATOM 0 H SER A 19 -10.419 8.710 7.807 1.00 0.00 H new ATOM 0 HA SER A 19 -9.969 10.420 6.418 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.434 11.276 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.018 12.250 8.815 1.00 0.00 H new ATOM 0 HG SER A 19 -11.515 13.337 7.416 1.00 0.00 H new ATOM 234 N VAL A 20 -7.279 10.145 7.452 1.00 0.00 N ATOM 235 CA VAL A 20 -5.856 10.460 7.433 1.00 0.00 C ATOM 236 C VAL A 20 -5.044 9.301 6.868 1.00 0.00 C ATOM 237 O VAL A 20 -5.543 8.182 6.744 1.00 0.00 O ATOM 238 CB VAL A 20 -5.337 10.796 8.844 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.070 12.004 9.409 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.484 9.595 9.765 1.00 0.00 C ATOM 0 H VAL A 20 -7.490 9.148 7.493 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.734 11.332 6.791 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.278 11.044 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.690 12.226 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.909 12.864 8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.137 11.788 9.467 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.113 9.850 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.535 9.314 9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.910 8.759 9.367 1.00 0.00 H new ATOM 250 N ALA A 21 -3.789 9.575 6.527 1.00 0.00 N ATOM 251 CA ALA A 21 -2.906 8.554 5.977 1.00 0.00 C ATOM 252 C ALA A 21 -1.597 8.482 6.756 1.00 0.00 C ATOM 253 O ALA A 21 -1.288 9.345 7.578 1.00 0.00 O ATOM 254 CB ALA A 21 -2.633 8.829 4.505 1.00 0.00 C ATOM 0 H ALA A 21 -3.361 10.496 6.622 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.406 7.590 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.972 8.059 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.573 8.821 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.158 9.804 4.399 1.00 0.00 H new ATOM 260 N PRO A 22 -0.808 7.430 6.493 1.00 0.00 N ATOM 261 CA PRO A 22 0.481 7.221 7.160 1.00 0.00 C ATOM 262 C PRO A 22 1.529 8.240 6.727 1.00 0.00 C ATOM 263 O PRO A 22 1.557 8.664 5.570 1.00 0.00 O ATOM 264 CB PRO A 22 0.886 5.814 6.714 1.00 0.00 C ATOM 265 CG PRO A 22 0.184 5.610 5.417 1.00 0.00 C ATOM 266 CD PRO A 22 -1.113 6.363 5.525 1.00 0.00 C ATOM 0 HA PRO A 22 0.404 7.335 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.967 5.732 6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.587 5.065 7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.783 5.982 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.006 4.551 5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.423 6.770 4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.922 5.722 5.875 1.00 0.00 H new ATOM 274 N LEU A 23 2.391 8.629 7.660 1.00 0.00 N ATOM 275 CA LEU A 23 3.443 9.598 7.374 1.00 0.00 C ATOM 276 C LEU A 23 4.774 8.898 7.119 1.00 0.00 C ATOM 277 O LEU A 23 4.841 7.670 7.072 1.00 0.00 O ATOM 278 CB LEU A 23 3.586 10.582 8.537 1.00 0.00 C ATOM 279 CG LEU A 23 2.320 10.846 9.352 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.225 9.877 10.521 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.295 12.285 9.847 1.00 0.00 C ATOM 0 H LEU A 23 2.382 8.288 8.621 1.00 0.00 H new ATOM 0 HA LEU A 23 3.164 10.146 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.356 10.207 9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.944 11.532 8.141 1.00 0.00 H new ATOM 0 HG LEU A 23 1.456 10.689 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.317 10.080 11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.196 8.854 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.094 10.001 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.387 12.455 10.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.166 12.468 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.315 12.964 8.994 1.00 0.00 H new ATOM 293 N ASN A 24 5.830 9.688 6.956 1.00 0.00 N ATOM 294 CA ASN A 24 7.160 9.143 6.706 1.00 0.00 C ATOM 295 C ASN A 24 7.112 8.061 5.632 1.00 0.00 C ATOM 296 O ASN A 24 7.801 7.045 5.727 1.00 0.00 O ATOM 297 CB ASN A 24 7.749 8.570 7.997 1.00 0.00 C ATOM 298 CG ASN A 24 8.466 9.622 8.822 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.696 9.659 8.868 1.00 0.00 O ATOM 300 ND2 ASN A 24 7.698 10.484 9.478 1.00 0.00 N ATOM 0 H ASN A 24 5.791 10.707 6.992 1.00 0.00 H new ATOM 0 HA ASN A 24 7.797 9.953 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.950 8.127 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.445 7.768 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.124 11.214 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.682 10.416 9.411 1.00 0.00 H new ATOM 307 N VAL A 25 6.295 8.288 4.608 1.00 0.00 N ATOM 308 CA VAL A 25 6.159 7.334 3.514 1.00 0.00 C ATOM 309 C VAL A 25 7.387 7.352 2.612 1.00 0.00 C ATOM 310 O VAL A 25 7.672 8.352 1.951 1.00 0.00 O ATOM 311 CB VAL A 25 4.908 7.629 2.665 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.925 6.807 1.385 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.644 7.356 3.466 1.00 0.00 C ATOM 0 H VAL A 25 5.718 9.124 4.513 1.00 0.00 H new ATOM 0 HA VAL A 25 6.059 6.347 3.966 1.00 0.00 H new ATOM 0 HB VAL A 25 4.917 8.684 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.034 7.029 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.813 7.056 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.941 5.746 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.770 7.570 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.626 6.310 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.629 7.993 4.351 1.00 0.00 H new ATOM 323 N THR A 26 8.114 6.239 2.587 1.00 0.00 N ATOM 324 CA THR A 26 9.313 6.127 1.767 1.00 0.00 C ATOM 325 C THR A 26 9.279 4.864 0.913 1.00 0.00 C ATOM 326 O THR A 26 8.557 3.915 1.219 1.00 0.00 O ATOM 327 CB THR A 26 10.587 6.113 2.633 1.00 0.00 C ATOM 328 OG1 THR A 26 10.378 5.309 3.799 1.00 0.00 O ATOM 329 CG2 THR A 26 10.975 7.525 3.047 1.00 0.00 C ATOM 0 H THR A 26 7.892 5.402 3.126 1.00 0.00 H new ATOM 0 HA THR A 26 9.334 7.002 1.117 1.00 0.00 H new ATOM 0 HB THR A 26 11.398 5.689 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.193 5.304 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.877 7.490 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.162 8.127 2.157 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.164 7.971 3.623 1.00 0.00 H new ATOM 337 N VAL A 27 10.066 4.859 -0.158 1.00 0.00 N ATOM 338 CA VAL A 27 10.127 3.711 -1.056 1.00 0.00 C ATOM 339 C VAL A 27 11.544 3.496 -1.576 1.00 0.00 C ATOM 340 O VAL A 27 12.064 4.304 -2.346 1.00 0.00 O ATOM 341 CB VAL A 27 9.173 3.883 -2.252 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.462 2.839 -3.320 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.724 3.802 -1.794 1.00 0.00 C ATOM 0 H VAL A 27 10.670 5.636 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 27 9.819 2.840 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 27 9.338 4.869 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.778 2.976 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.489 2.949 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.326 1.842 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.064 3.926 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.542 2.831 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.527 4.591 -1.068 1.00 0.00 H new ATOM 353 N PHE A 28 12.164 2.400 -1.152 1.00 0.00 N ATOM 354 CA PHE A 28 13.522 2.077 -1.575 1.00 0.00 C ATOM 355 C PHE A 28 13.524 0.902 -2.548 1.00 0.00 C ATOM 356 O PHE A 28 12.740 -0.038 -2.406 1.00 0.00 O ATOM 357 CB PHE A 28 14.392 1.749 -0.360 1.00 0.00 C ATOM 358 CG PHE A 28 15.033 2.957 0.262 1.00 0.00 C ATOM 359 CD1 PHE A 28 14.256 3.956 0.827 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.411 3.094 0.282 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.842 5.068 1.401 1.00 0.00 C ATOM 362 CE2 PHE A 28 17.003 4.204 0.855 1.00 0.00 C ATOM 363 CZ PHE A 28 16.217 5.193 1.414 1.00 0.00 C ATOM 0 H PHE A 28 11.748 1.720 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 28 13.934 2.948 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.781 1.246 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.171 1.048 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.180 3.864 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 28 17.030 2.325 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.225 5.839 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 28 18.079 4.298 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.677 6.062 1.860 1.00 0.00 H new ATOM 373 N LEU A 29 14.409 0.962 -3.537 1.00 0.00 N ATOM 374 CA LEU A 29 14.514 -0.096 -4.535 1.00 0.00 C ATOM 375 C LEU A 29 15.882 -0.768 -4.475 1.00 0.00 C ATOM 376 O LEU A 29 16.912 -0.096 -4.432 1.00 0.00 O ATOM 377 CB LEU A 29 14.271 0.471 -5.935 1.00 0.00 C ATOM 378 CG LEU A 29 14.719 -0.410 -7.102 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.654 -1.445 -7.429 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.030 0.442 -8.324 1.00 0.00 C ATOM 0 H LEU A 29 15.064 1.732 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 29 13.753 -0.845 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.205 0.671 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.784 1.430 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 29 15.628 -0.935 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.990 -2.063 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.479 -2.075 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.728 -0.940 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.347 -0.201 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.138 0.994 -8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.828 1.144 -8.084 1.00 0.00 H new ATOM 392 N ASN A 30 15.884 -2.097 -4.475 1.00 0.00 N ATOM 393 CA ASN A 30 17.126 -2.859 -4.423 1.00 0.00 C ATOM 394 C ASN A 30 17.468 -3.436 -5.793 1.00 0.00 C ATOM 395 O ASN A 30 16.739 -4.271 -6.326 1.00 0.00 O ATOM 396 CB ASN A 30 17.013 -3.988 -3.396 1.00 0.00 C ATOM 397 CG ASN A 30 17.436 -3.551 -2.007 1.00 0.00 C ATOM 398 OD1 ASN A 30 17.811 -2.397 -1.795 1.00 0.00 O ATOM 399 ND2 ASN A 30 17.378 -4.473 -1.054 1.00 0.00 N ATOM 0 H ASN A 30 15.040 -2.668 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 30 17.926 -2.182 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.983 -4.344 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.631 -4.828 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.651 -4.238 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.061 -5.417 -1.276 1.00 0.00 H new ATOM 406 N GLU A 31 18.584 -2.983 -6.358 1.00 0.00 N ATOM 407 CA GLU A 31 19.022 -3.454 -7.666 1.00 0.00 C ATOM 408 C GLU A 31 19.676 -4.829 -7.558 1.00 0.00 C ATOM 409 O GLU A 31 19.660 -5.612 -8.508 1.00 0.00 O ATOM 410 CB GLU A 31 20.004 -2.459 -8.288 1.00 0.00 C ATOM 411 CG GLU A 31 19.329 -1.253 -8.920 1.00 0.00 C ATOM 412 CD GLU A 31 18.890 -1.511 -10.348 1.00 0.00 C ATOM 413 OE1 GLU A 31 18.244 -2.552 -10.591 1.00 0.00 O ATOM 414 OE2 GLU A 31 19.192 -0.673 -11.223 1.00 0.00 O ATOM 0 H GLU A 31 19.200 -2.291 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 31 18.144 -3.537 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.697 -2.116 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.597 -2.972 -9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.462 -0.972 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.016 -0.407 -8.902 1.00 0.00 H new ATOM 421 N SER A 32 20.249 -5.116 -6.394 1.00 0.00 N ATOM 422 CA SER A 32 20.912 -6.394 -6.162 1.00 0.00 C ATOM 423 C SER A 32 19.894 -7.481 -5.827 1.00 0.00 C ATOM 424 O SER A 32 20.145 -8.667 -6.039 1.00 0.00 O ATOM 425 CB SER A 32 21.930 -6.266 -5.028 1.00 0.00 C ATOM 426 OG SER A 32 22.694 -7.453 -4.892 1.00 0.00 O ATOM 0 H SER A 32 20.268 -4.481 -5.596 1.00 0.00 H new ATOM 0 HA SER A 32 21.432 -6.677 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.593 -5.423 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.412 -6.054 -4.093 1.00 0.00 H new ATOM 0 HG SER A 32 23.338 -7.345 -4.162 1.00 0.00 H new ATOM 432 N SER A 33 18.745 -7.066 -5.304 1.00 0.00 N ATOM 433 CA SER A 33 17.690 -8.003 -4.935 1.00 0.00 C ATOM 434 C SER A 33 16.342 -7.547 -5.486 1.00 0.00 C ATOM 435 O SER A 33 15.937 -6.401 -5.294 1.00 0.00 O ATOM 436 CB SER A 33 17.611 -8.142 -3.414 1.00 0.00 C ATOM 437 OG SER A 33 18.786 -8.741 -2.895 1.00 0.00 O ATOM 0 H SER A 33 18.521 -6.087 -5.126 1.00 0.00 H new ATOM 0 HA SER A 33 17.931 -8.973 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.470 -7.160 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.743 -8.744 -3.145 1.00 0.00 H new ATOM 0 HG SER A 33 18.711 -8.817 -1.921 1.00 0.00 H new ATOM 443 N ASP A 34 15.654 -8.453 -6.171 1.00 0.00 N ATOM 444 CA ASP A 34 14.351 -8.146 -6.750 1.00 0.00 C ATOM 445 C ASP A 34 13.298 -7.979 -5.659 1.00 0.00 C ATOM 446 O ASP A 34 12.432 -8.836 -5.483 1.00 0.00 O ATOM 447 CB ASP A 34 13.927 -9.250 -7.721 1.00 0.00 C ATOM 448 CG ASP A 34 14.007 -10.630 -7.099 1.00 0.00 C ATOM 449 OD1 ASP A 34 15.136 -11.107 -6.857 1.00 0.00 O ATOM 450 OD2 ASP A 34 12.941 -11.233 -6.854 1.00 0.00 O ATOM 0 H ASP A 34 15.976 -9.406 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 34 14.436 -7.206 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.906 -9.064 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.563 -9.216 -8.606 1.00 0.00 H new ATOM 455 N ASN A 35 13.379 -6.872 -4.929 1.00 0.00 N ATOM 456 CA ASN A 35 12.434 -6.593 -3.854 1.00 0.00 C ATOM 457 C ASN A 35 12.371 -5.098 -3.559 1.00 0.00 C ATOM 458 O ASN A 35 13.364 -4.384 -3.699 1.00 0.00 O ATOM 459 CB ASN A 35 12.828 -7.358 -2.589 1.00 0.00 C ATOM 460 CG ASN A 35 14.179 -6.927 -2.051 1.00 0.00 C ATOM 461 OD1 ASN A 35 14.466 -5.735 -1.945 1.00 0.00 O ATOM 462 ND2 ASN A 35 15.017 -7.899 -1.708 1.00 0.00 N ATOM 0 H ASN A 35 14.090 -6.153 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 35 11.447 -6.923 -4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.068 -7.203 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.850 -8.426 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.940 -7.670 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.737 -8.874 -1.813 1.00 0.00 H new ATOM 469 N VAL A 36 11.196 -4.630 -3.148 1.00 0.00 N ATOM 470 CA VAL A 36 11.003 -3.220 -2.831 1.00 0.00 C ATOM 471 C VAL A 36 10.771 -3.020 -1.338 1.00 0.00 C ATOM 472 O VAL A 36 10.029 -3.773 -0.707 1.00 0.00 O ATOM 473 CB VAL A 36 9.812 -2.628 -3.608 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.799 -1.112 -3.491 1.00 0.00 C ATOM 475 CG2 VAL A 36 9.861 -3.059 -5.066 1.00 0.00 C ATOM 0 H VAL A 36 10.364 -5.207 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 36 11.915 -2.701 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 36 8.889 -3.009 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.951 -0.711 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.712 -0.829 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.724 -0.707 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.012 -2.632 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.789 -2.708 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.817 -4.146 -5.126 1.00 0.00 H new ATOM 485 N ASP A 37 11.411 -1.999 -0.777 1.00 0.00 N ATOM 486 CA ASP A 37 11.274 -1.697 0.643 1.00 0.00 C ATOM 487 C ASP A 37 10.308 -0.537 0.861 1.00 0.00 C ATOM 488 O ASP A 37 10.268 0.407 0.072 1.00 0.00 O ATOM 489 CB ASP A 37 12.638 -1.363 1.249 1.00 0.00 C ATOM 490 CG ASP A 37 12.728 -1.740 2.714 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.193 -0.987 3.554 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.335 -2.787 3.021 1.00 0.00 O ATOM 0 H ASP A 37 12.030 -1.367 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 37 10.871 -2.579 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.417 -1.886 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.830 -0.296 1.139 1.00 0.00 H new ATOM 497 N ILE A 38 9.530 -0.616 1.936 1.00 0.00 N ATOM 498 CA ILE A 38 8.564 0.428 2.257 1.00 0.00 C ATOM 499 C ILE A 38 8.535 0.707 3.756 1.00 0.00 C ATOM 500 O ILE A 38 8.395 -0.209 4.566 1.00 0.00 O ATOM 501 CB ILE A 38 7.147 0.046 1.790 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.188 -0.509 0.365 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.222 1.251 1.868 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.382 -2.008 0.306 1.00 0.00 C ATOM 0 H ILE A 38 9.550 -1.391 2.599 1.00 0.00 H new ATOM 0 HA ILE A 38 8.882 1.327 1.728 1.00 0.00 H new ATOM 0 HB ILE A 38 6.759 -0.730 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.259 -0.251 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.997 -0.024 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.224 0.966 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.173 1.606 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.605 2.046 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.401 -2.332 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.324 -2.272 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.560 -2.502 0.824 1.00 0.00 H new ATOM 516 N ARG A 39 8.668 1.979 4.118 1.00 0.00 N ATOM 517 CA ARG A 39 8.656 2.380 5.519 1.00 0.00 C ATOM 518 C ARG A 39 7.729 3.572 5.736 1.00 0.00 C ATOM 519 O ARG A 39 7.828 4.582 5.040 1.00 0.00 O ATOM 520 CB ARG A 39 10.072 2.730 5.983 1.00 0.00 C ATOM 521 CG ARG A 39 10.150 3.138 7.445 1.00 0.00 C ATOM 522 CD ARG A 39 9.904 1.954 8.368 1.00 0.00 C ATOM 523 NE ARG A 39 10.266 2.254 9.751 1.00 0.00 N ATOM 524 CZ ARG A 39 10.320 1.338 10.712 1.00 0.00 C ATOM 525 NH1 ARG A 39 10.038 0.071 10.441 1.00 0.00 N ATOM 526 NH2 ARG A 39 10.657 1.689 11.946 1.00 0.00 N ATOM 0 H ARG A 39 8.785 2.749 3.460 1.00 0.00 H new ATOM 0 HA ARG A 39 8.284 1.541 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.722 1.870 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.457 3.543 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.131 3.565 7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.414 3.917 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.852 1.671 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.481 1.097 8.020 1.00 0.00 H new ATOM 0 HE ARG A 39 10.490 3.220 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.779 -0.202 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.080 -0.630 11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.875 2.663 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.698 0.985 12.683 1.00 0.00 H new ATOM 540 N TRP A 40 6.830 3.446 6.705 1.00 0.00 N ATOM 541 CA TRP A 40 5.884 4.513 7.014 1.00 0.00 C ATOM 542 C TRP A 40 5.828 4.774 8.515 1.00 0.00 C ATOM 543 O TRP A 40 6.544 4.142 9.291 1.00 0.00 O ATOM 544 CB TRP A 40 4.492 4.155 6.493 1.00 0.00 C ATOM 545 CG TRP A 40 3.941 2.895 7.090 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.250 2.778 8.262 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.036 1.575 6.544 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.910 1.464 8.478 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.380 0.706 7.438 1.00 0.00 C ATOM 550 CE3 TRP A 40 4.609 1.043 5.386 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.284 -0.664 7.208 1.00 0.00 C ATOM 552 CZ3 TRP A 40 4.513 -0.317 5.160 1.00 0.00 C ATOM 553 CH2 TRP A 40 3.854 -1.158 6.067 1.00 0.00 C ATOM 0 H TRP A 40 6.736 2.616 7.290 1.00 0.00 H new ATOM 0 HA TRP A 40 6.226 5.422 6.520 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.810 4.978 6.705 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.534 4.047 5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.007 3.597 8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.392 1.110 9.282 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.118 1.683 4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.777 -1.314 7.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.954 -0.739 4.269 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.795 -2.217 5.861 1.00 0.00 H new ATOM 564 N MET A 41 4.972 5.708 8.917 1.00 0.00 N ATOM 565 CA MET A 41 4.822 6.050 10.327 1.00 0.00 C ATOM 566 C MET A 41 3.358 5.982 10.750 1.00 0.00 C ATOM 567 O MET A 41 2.458 5.974 9.910 1.00 0.00 O ATOM 568 CB MET A 41 5.379 7.449 10.596 1.00 0.00 C ATOM 569 CG MET A 41 6.852 7.455 10.970 1.00 0.00 C ATOM 570 SD MET A 41 7.132 7.040 12.702 1.00 0.00 S ATOM 571 CE MET A 41 7.607 8.636 13.360 1.00 0.00 C ATOM 0 H MET A 41 4.372 6.241 8.287 1.00 0.00 H new ATOM 0 HA MET A 41 5.385 5.324 10.914 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.235 8.065 9.708 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.806 7.911 11.400 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.386 6.744 10.339 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.271 8.440 10.764 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.814 8.543 14.426 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.501 8.990 12.847 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.796 9.348 13.208 1.00 0.00 H new ATOM 581 N LYS A 42 3.127 5.933 12.058 1.00 0.00 N ATOM 582 CA LYS A 42 1.772 5.867 12.593 1.00 0.00 C ATOM 583 C LYS A 42 1.116 7.244 12.585 1.00 0.00 C ATOM 584 O LYS A 42 1.708 8.242 12.995 1.00 0.00 O ATOM 585 CB LYS A 42 1.792 5.308 14.018 1.00 0.00 C ATOM 586 CG LYS A 42 0.432 4.840 14.506 1.00 0.00 C ATOM 587 CD LYS A 42 0.399 4.702 16.019 1.00 0.00 C ATOM 588 CE LYS A 42 -0.744 3.808 16.473 1.00 0.00 C ATOM 589 NZ LYS A 42 -0.544 2.394 16.050 1.00 0.00 N ATOM 0 H LYS A 42 3.861 5.938 12.767 1.00 0.00 H new ATOM 0 HA LYS A 42 1.188 5.203 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.492 4.473 14.062 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.168 6.075 14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.333 5.548 14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.190 3.881 14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.346 4.290 16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.294 5.687 16.473 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.831 3.853 17.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.682 4.181 16.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.091 1.765 16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.866 2.276 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.465 2.152 16.114 1.00 0.00 H new ATOM 603 N PRO A 43 -0.137 7.301 12.109 1.00 0.00 N ATOM 604 CA PRO A 43 -0.900 8.550 12.038 1.00 0.00 C ATOM 605 C PRO A 43 -1.297 9.066 13.417 1.00 0.00 C ATOM 606 O PRO A 43 -1.319 8.326 14.401 1.00 0.00 O ATOM 607 CB PRO A 43 -2.144 8.160 11.235 1.00 0.00 C ATOM 608 CG PRO A 43 -2.298 6.696 11.462 1.00 0.00 C ATOM 609 CD PRO A 43 -0.904 6.150 11.603 1.00 0.00 C ATOM 0 HA PRO A 43 -0.321 9.357 11.589 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.023 8.708 11.575 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.018 8.385 10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.886 6.500 12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.819 6.225 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.870 5.309 12.295 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.513 5.794 10.650 1.00 0.00 H new ATOM 617 N PRO A 44 -1.619 10.366 13.494 1.00 0.00 N ATOM 618 CA PRO A 44 -2.021 11.009 14.748 1.00 0.00 C ATOM 619 C PRO A 44 -3.392 10.541 15.226 1.00 0.00 C ATOM 620 O PRO A 44 -3.920 11.043 16.219 1.00 0.00 O ATOM 621 CB PRO A 44 -2.060 12.496 14.387 1.00 0.00 C ATOM 622 CG PRO A 44 -2.303 12.523 12.918 1.00 0.00 C ATOM 623 CD PRO A 44 -1.615 11.307 12.362 1.00 0.00 C ATOM 0 HA PRO A 44 -1.339 10.772 15.565 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.851 13.014 14.929 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.123 12.990 14.642 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.370 12.502 12.699 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.904 13.435 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.147 10.902 11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.601 11.534 12.032 1.00 0.00 H new ATOM 631 N THR A 45 -3.964 9.576 14.513 1.00 0.00 N ATOM 632 CA THR A 45 -5.273 9.040 14.864 1.00 0.00 C ATOM 633 C THR A 45 -5.272 8.466 16.276 1.00 0.00 C ATOM 634 O THR A 45 -5.178 7.253 16.464 1.00 0.00 O ATOM 635 CB THR A 45 -5.715 7.944 13.876 1.00 0.00 C ATOM 636 OG1 THR A 45 -4.647 7.012 13.669 1.00 0.00 O ATOM 637 CG2 THR A 45 -6.131 8.550 12.544 1.00 0.00 C ATOM 0 H THR A 45 -3.541 9.150 13.689 1.00 0.00 H new ATOM 0 HA THR A 45 -5.978 9.870 14.813 1.00 0.00 H new ATOM 0 HB THR A 45 -6.573 7.425 14.304 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.350 6.657 14.533 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.439 7.756 11.863 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.963 9.237 12.701 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.290 9.092 12.112 1.00 0.00 H new ATOM 645 N LYS A 46 -5.379 9.345 17.267 1.00 0.00 N ATOM 646 CA LYS A 46 -5.392 8.926 18.663 1.00 0.00 C ATOM 647 C LYS A 46 -6.540 9.588 19.419 1.00 0.00 C ATOM 648 O LYS A 46 -7.153 8.976 20.293 1.00 0.00 O ATOM 649 CB LYS A 46 -4.060 9.271 19.333 1.00 0.00 C ATOM 650 CG LYS A 46 -4.064 9.060 20.838 1.00 0.00 C ATOM 651 CD LYS A 46 -2.976 9.875 21.517 1.00 0.00 C ATOM 652 CE LYS A 46 -1.625 9.180 21.433 1.00 0.00 C ATOM 653 NZ LYS A 46 -0.514 10.075 21.862 1.00 0.00 N ATOM 0 H LYS A 46 -5.458 10.352 17.129 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.537 7.846 18.691 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.272 8.661 18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.815 10.312 19.121 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.036 9.340 21.243 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.919 8.002 21.059 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.911 10.858 21.050 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.239 10.036 22.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.636 8.288 22.060 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.450 8.848 20.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.390 9.565 21.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.488 10.914 21.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.667 10.371 22.847 1.00 0.00 H new ATOM 667 N GLN A 47 -6.825 10.840 19.075 1.00 0.00 N ATOM 668 CA GLN A 47 -7.900 11.583 19.721 1.00 0.00 C ATOM 669 C GLN A 47 -9.195 11.474 18.921 1.00 0.00 C ATOM 670 O GLN A 47 -9.214 11.729 17.718 1.00 0.00 O ATOM 671 CB GLN A 47 -7.508 13.053 19.881 1.00 0.00 C ATOM 672 CG GLN A 47 -6.420 13.283 20.917 1.00 0.00 C ATOM 673 CD GLN A 47 -5.567 14.497 20.608 1.00 0.00 C ATOM 674 OE1 GLN A 47 -5.802 15.201 19.625 1.00 0.00 O ATOM 675 NE2 GLN A 47 -4.570 14.750 21.448 1.00 0.00 N ATOM 0 H GLN A 47 -6.327 11.360 18.353 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.066 11.149 20.707 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.169 13.437 18.919 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.391 13.628 20.160 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.878 13.406 21.898 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.783 12.400 20.971 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.412 14.140 22.250 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.963 15.554 21.291 1.00 0.00 H new ATOM 684 N GLN A 48 -10.273 11.092 19.599 1.00 0.00 N ATOM 685 CA GLN A 48 -11.571 10.949 18.950 1.00 0.00 C ATOM 686 C GLN A 48 -11.419 10.348 17.556 1.00 0.00 C ATOM 687 O GLN A 48 -12.001 10.843 16.591 1.00 0.00 O ATOM 688 CB GLN A 48 -12.273 12.305 18.861 1.00 0.00 C ATOM 689 CG GLN A 48 -13.782 12.200 18.714 1.00 0.00 C ATOM 690 CD GLN A 48 -14.480 11.936 20.034 1.00 0.00 C ATOM 691 OE1 GLN A 48 -13.944 12.230 21.102 1.00 0.00 O ATOM 692 NE2 GLN A 48 -15.684 11.380 19.966 1.00 0.00 N ATOM 0 H GLN A 48 -10.273 10.876 20.596 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.178 10.273 19.553 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.043 12.883 19.756 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.871 12.858 18.012 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.166 13.124 18.283 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.020 11.399 18.015 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.090 11.153 19.058 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.203 11.180 20.821 1.00 0.00 H new ATOM 701 N ASP A 49 -10.634 9.281 17.460 1.00 0.00 N ATOM 702 CA ASP A 49 -10.407 8.612 16.184 1.00 0.00 C ATOM 703 C ASP A 49 -10.730 7.125 16.285 1.00 0.00 C ATOM 704 O ASP A 49 -11.572 6.611 15.550 1.00 0.00 O ATOM 705 CB ASP A 49 -8.957 8.803 15.735 1.00 0.00 C ATOM 706 CG ASP A 49 -8.764 10.069 14.923 1.00 0.00 C ATOM 707 OD1 ASP A 49 -9.437 10.213 13.881 1.00 0.00 O ATOM 708 OD2 ASP A 49 -7.940 10.915 15.329 1.00 0.00 O ATOM 0 H ASP A 49 -10.144 8.861 18.250 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.070 9.060 15.444 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.310 8.835 16.611 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.647 7.943 15.141 1.00 0.00 H new ATOM 713 N GLY A 50 -10.052 6.438 17.200 1.00 0.00 N ATOM 714 CA GLY A 50 -10.280 5.016 17.379 1.00 0.00 C ATOM 715 C GLY A 50 -8.990 4.240 17.555 1.00 0.00 C ATOM 716 O GLY A 50 -8.191 4.545 18.440 1.00 0.00 O ATOM 0 H GLY A 50 -9.349 6.841 17.820 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.916 4.860 18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.820 4.626 16.516 1.00 0.00 H new ATOM 720 N GLU A 51 -8.788 3.232 16.712 1.00 0.00 N ATOM 721 CA GLU A 51 -7.586 2.409 16.781 1.00 0.00 C ATOM 722 C GLU A 51 -7.271 1.791 15.422 1.00 0.00 C ATOM 723 O GLU A 51 -8.132 1.175 14.792 1.00 0.00 O ATOM 724 CB GLU A 51 -7.757 1.306 17.828 1.00 0.00 C ATOM 725 CG GLU A 51 -8.707 0.201 17.398 1.00 0.00 C ATOM 726 CD GLU A 51 -8.883 -0.864 18.463 1.00 0.00 C ATOM 727 OE1 GLU A 51 -9.772 -0.701 19.324 1.00 0.00 O ATOM 728 OE2 GLU A 51 -8.131 -1.861 18.435 1.00 0.00 O ATOM 0 H GLU A 51 -9.440 2.966 15.974 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.753 3.050 17.071 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.782 0.871 18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.124 1.749 18.754 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.678 0.634 17.159 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.331 -0.262 16.485 1.00 0.00 H new ATOM 735 N LEU A 52 -6.031 1.961 14.975 1.00 0.00 N ATOM 736 CA LEU A 52 -5.601 1.420 13.690 1.00 0.00 C ATOM 737 C LEU A 52 -5.420 -0.092 13.768 1.00 0.00 C ATOM 738 O LEU A 52 -4.799 -0.607 14.698 1.00 0.00 O ATOM 739 CB LEU A 52 -4.293 2.080 13.250 1.00 0.00 C ATOM 740 CG LEU A 52 -3.520 1.364 12.141 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.653 2.349 11.373 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.671 0.242 12.721 1.00 0.00 C ATOM 0 H LEU A 52 -5.307 2.469 15.483 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.376 1.636 12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.515 3.093 12.915 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.643 2.168 14.120 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.239 0.927 11.448 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.111 1.821 10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.284 3.117 10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.942 2.816 12.054 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.128 -0.256 11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.961 0.656 13.437 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.315 -0.479 13.225 1.00 0.00 H new ATOM 754 N VAL A 53 -5.966 -0.800 12.784 1.00 0.00 N ATOM 755 CA VAL A 53 -5.863 -2.253 12.739 1.00 0.00 C ATOM 756 C VAL A 53 -4.824 -2.699 11.716 1.00 0.00 C ATOM 757 O VAL A 53 -4.422 -3.861 11.690 1.00 0.00 O ATOM 758 CB VAL A 53 -7.217 -2.902 12.395 1.00 0.00 C ATOM 759 CG1 VAL A 53 -8.182 -2.775 13.563 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.803 -2.277 11.138 1.00 0.00 C ATOM 0 H VAL A 53 -6.484 -0.390 12.007 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.554 -2.579 13.732 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.054 -3.963 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.133 -3.239 13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.763 -3.274 14.437 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.343 -1.721 13.789 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.759 -2.747 10.910 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.953 -1.209 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.117 -2.426 10.304 1.00 0.00 H new ATOM 770 N GLY A 54 -4.391 -1.765 10.874 1.00 0.00 N ATOM 771 CA GLY A 54 -3.402 -2.081 9.860 1.00 0.00 C ATOM 772 C GLY A 54 -3.332 -1.029 8.771 1.00 0.00 C ATOM 773 O GLY A 54 -3.969 0.020 8.869 1.00 0.00 O ATOM 0 H GLY A 54 -4.708 -0.795 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.423 -2.179 10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.640 -3.047 9.413 1.00 0.00 H new ATOM 777 N TYR A 55 -2.555 -1.308 7.731 1.00 0.00 N ATOM 778 CA TYR A 55 -2.400 -0.376 6.620 1.00 0.00 C ATOM 779 C TYR A 55 -2.695 -1.061 5.289 1.00 0.00 C ATOM 780 O TYR A 55 -2.737 -2.289 5.206 1.00 0.00 O ATOM 781 CB TYR A 55 -0.985 0.203 6.606 1.00 0.00 C ATOM 782 CG TYR A 55 -0.556 0.787 7.933 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.191 -0.037 8.991 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.518 2.162 8.130 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.200 0.492 10.206 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.126 2.699 9.341 1.00 0.00 C ATOM 787 CZ TYR A 55 0.232 1.860 10.376 1.00 0.00 C ATOM 788 OH TYR A 55 0.621 2.392 11.584 1.00 0.00 O ATOM 0 H TYR A 55 -2.022 -2.172 7.634 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.115 0.435 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.284 -0.581 6.320 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.926 0.978 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.213 -1.109 8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.800 2.822 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.479 -0.163 11.018 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.100 3.770 9.477 1.00 0.00 H new ATOM 0 HH TYR A 55 1.306 3.077 11.434 1.00 0.00 H new ATOM 798 N ARG A 56 -2.896 -0.258 4.250 1.00 0.00 N ATOM 799 CA ARG A 56 -3.187 -0.785 2.922 1.00 0.00 C ATOM 800 C ARG A 56 -2.216 -0.222 1.888 1.00 0.00 C ATOM 801 O ARG A 56 -2.311 0.945 1.505 1.00 0.00 O ATOM 802 CB ARG A 56 -4.625 -0.452 2.521 1.00 0.00 C ATOM 803 CG ARG A 56 -5.639 -1.491 2.971 1.00 0.00 C ATOM 804 CD ARG A 56 -6.852 -1.520 2.054 1.00 0.00 C ATOM 805 NE ARG A 56 -7.365 -0.179 1.783 1.00 0.00 N ATOM 806 CZ ARG A 56 -8.368 0.069 0.948 1.00 0.00 C ATOM 807 NH1 ARG A 56 -8.962 -0.927 0.306 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.778 1.316 0.754 1.00 0.00 N ATOM 0 H ARG A 56 -2.863 0.760 4.302 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.068 -1.868 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.896 0.515 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.677 -0.352 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.170 -2.475 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.957 -1.273 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.585 -2.003 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.637 -2.123 2.510 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.929 0.610 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.649 -1.887 0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.732 -0.734 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.323 2.085 1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.548 1.506 0.113 1.00 0.00 H new ATOM 822 N ILE A 57 -1.284 -1.057 1.443 1.00 0.00 N ATOM 823 CA ILE A 57 -0.297 -0.642 0.454 1.00 0.00 C ATOM 824 C ILE A 57 -0.727 -1.041 -0.954 1.00 0.00 C ATOM 825 O ILE A 57 -0.807 -2.227 -1.276 1.00 0.00 O ATOM 826 CB ILE A 57 1.086 -1.252 0.749 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.433 -1.091 2.230 1.00 0.00 C ATOM 828 CG2 ILE A 57 2.149 -0.600 -0.123 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.507 -2.044 2.706 1.00 0.00 C ATOM 0 H ILE A 57 -1.191 -2.025 1.751 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.227 0.444 0.515 1.00 0.00 H new ATOM 0 HB ILE A 57 1.055 -2.316 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.762 -0.067 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.533 -1.245 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.121 -1.042 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.907 -0.761 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.182 0.470 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.702 -1.873 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.173 -3.071 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.421 -1.875 2.137 1.00 0.00 H new ATOM 841 N SER A 58 -1.001 -0.044 -1.788 1.00 0.00 N ATOM 842 CA SER A 58 -1.425 -0.291 -3.162 1.00 0.00 C ATOM 843 C SER A 58 -0.247 -0.170 -4.124 1.00 0.00 C ATOM 844 O SER A 58 0.274 0.922 -4.351 1.00 0.00 O ATOM 845 CB SER A 58 -2.528 0.690 -3.562 1.00 0.00 C ATOM 846 OG SER A 58 -3.163 0.283 -4.761 1.00 0.00 O ATOM 0 H SER A 58 -0.937 0.943 -1.537 1.00 0.00 H new ATOM 0 HA SER A 58 -1.815 -1.307 -3.219 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.265 0.759 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.104 1.686 -3.691 1.00 0.00 H new ATOM 0 HG SER A 58 -3.865 0.926 -4.994 1.00 0.00 H new ATOM 852 N HIS A 59 0.167 -1.300 -4.687 1.00 0.00 N ATOM 853 CA HIS A 59 1.283 -1.322 -5.626 1.00 0.00 C ATOM 854 C HIS A 59 0.823 -1.778 -7.007 1.00 0.00 C ATOM 855 O HIS A 59 0.518 -2.953 -7.215 1.00 0.00 O ATOM 856 CB HIS A 59 2.390 -2.245 -5.114 1.00 0.00 C ATOM 857 CG HIS A 59 1.915 -3.628 -4.793 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.394 -4.755 -5.428 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.000 -4.065 -3.896 1.00 0.00 C ATOM 860 CE1 HIS A 59 1.793 -5.824 -4.937 1.00 0.00 C ATOM 861 NE2 HIS A 59 0.942 -5.432 -4.005 1.00 0.00 N ATOM 0 H HIS A 59 -0.253 -2.212 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 59 1.675 -0.308 -5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.178 -2.305 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.834 -1.806 -4.221 1.00 0.00 H new ATOM 0 HD1 HIS A 59 3.102 -4.762 -6.162 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.423 -3.452 -3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.967 -6.844 -5.245 1.00 0.00 H new ATOM 870 N VAL A 60 0.774 -0.841 -7.949 1.00 0.00 N ATOM 871 CA VAL A 60 0.350 -1.147 -9.310 1.00 0.00 C ATOM 872 C VAL A 60 1.550 -1.288 -10.240 1.00 0.00 C ATOM 873 O VAL A 60 2.655 -0.852 -9.915 1.00 0.00 O ATOM 874 CB VAL A 60 -0.588 -0.059 -9.864 1.00 0.00 C ATOM 875 CG1 VAL A 60 0.095 1.300 -9.838 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.039 -0.411 -11.273 1.00 0.00 C ATOM 0 H VAL A 60 1.023 0.136 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.188 -2.094 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.471 -0.007 -9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.584 2.056 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.362 1.553 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.996 1.266 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.701 0.369 -11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.169 -0.492 -11.924 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.571 -1.362 -11.258 1.00 0.00 H new ATOM 886 N TRP A 61 1.326 -1.901 -11.397 1.00 0.00 N ATOM 887 CA TRP A 61 2.390 -2.100 -12.375 1.00 0.00 C ATOM 888 C TRP A 61 1.913 -1.741 -13.778 1.00 0.00 C ATOM 889 O TRP A 61 0.927 -2.292 -14.267 1.00 0.00 O ATOM 890 CB TRP A 61 2.875 -3.550 -12.343 1.00 0.00 C ATOM 891 CG TRP A 61 3.345 -3.990 -10.990 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.572 -4.461 -9.967 1.00 0.00 C ATOM 893 CD2 TRP A 61 4.695 -3.997 -10.512 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.360 -4.761 -8.882 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.666 -4.486 -9.191 1.00 0.00 C ATOM 896 CE3 TRP A 61 5.924 -3.640 -11.071 1.00 0.00 C ATOM 897 CZ2 TRP A 61 5.820 -4.625 -8.424 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.068 -3.778 -10.309 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.010 -4.268 -8.997 1.00 0.00 C ATOM 0 H TRP A 61 0.418 -2.269 -11.681 1.00 0.00 H new ATOM 0 HA TRP A 61 3.218 -1.442 -12.114 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.066 -4.203 -12.669 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.688 -3.669 -13.059 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.499 -4.580 -10.005 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.027 -5.129 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.979 -3.263 -12.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 5.777 -5.001 -7.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.023 -3.504 -10.731 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.922 -4.366 -8.427 1.00 0.00 H new ATOM 910 N GLN A 62 2.619 -0.815 -14.419 1.00 0.00 N ATOM 911 CA GLN A 62 2.266 -0.383 -15.766 1.00 0.00 C ATOM 912 C GLN A 62 3.471 -0.467 -16.698 1.00 0.00 C ATOM 913 O GLN A 62 4.453 0.254 -16.524 1.00 0.00 O ATOM 914 CB GLN A 62 1.725 1.047 -15.741 1.00 0.00 C ATOM 915 CG GLN A 62 0.220 1.125 -15.538 1.00 0.00 C ATOM 916 CD GLN A 62 -0.351 2.477 -15.918 1.00 0.00 C ATOM 917 OE1 GLN A 62 0.329 3.302 -16.528 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.607 2.711 -15.558 1.00 0.00 N ATOM 0 H GLN A 62 3.438 -0.350 -14.028 1.00 0.00 H new ATOM 0 HA GLN A 62 1.491 -1.050 -16.143 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.220 1.600 -14.943 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.983 1.541 -16.678 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.264 0.350 -16.133 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.013 0.917 -14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.134 1.998 -15.053 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.045 3.603 -15.786 1.00 0.00 H new ATOM 927 N SER A 63 3.387 -1.352 -17.686 1.00 0.00 N ATOM 928 CA SER A 63 4.473 -1.533 -18.643 1.00 0.00 C ATOM 929 C SER A 63 3.960 -1.411 -20.075 1.00 0.00 C ATOM 930 O SER A 63 2.766 -1.556 -20.333 1.00 0.00 O ATOM 931 CB SER A 63 5.137 -2.896 -18.442 1.00 0.00 C ATOM 932 OG SER A 63 5.671 -3.389 -19.658 1.00 0.00 O ATOM 0 H SER A 63 2.579 -1.954 -17.845 1.00 0.00 H new ATOM 0 HA SER A 63 5.211 -0.749 -18.471 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.932 -2.811 -17.701 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.408 -3.604 -18.048 1.00 0.00 H new ATOM 0 HG SER A 63 6.091 -4.260 -19.501 1.00 0.00 H new ATOM 938 N ALA A 64 4.874 -1.142 -21.003 1.00 0.00 N ATOM 939 CA ALA A 64 4.516 -1.003 -22.409 1.00 0.00 C ATOM 940 C ALA A 64 3.959 -2.308 -22.966 1.00 0.00 C ATOM 941 O ALA A 64 4.709 -3.231 -23.279 1.00 0.00 O ATOM 942 CB ALA A 64 5.724 -0.554 -23.219 1.00 0.00 C ATOM 0 H ALA A 64 5.867 -1.016 -20.806 1.00 0.00 H new ATOM 0 HA ALA A 64 3.737 -0.244 -22.487 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.442 -0.454 -24.267 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.076 0.407 -22.845 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.520 -1.293 -23.126 1.00 0.00 H new ATOM 948 N GLY A 65 2.636 -2.378 -23.087 1.00 0.00 N ATOM 949 CA GLY A 65 2.001 -3.575 -23.606 1.00 0.00 C ATOM 950 C GLY A 65 1.481 -4.479 -22.506 1.00 0.00 C ATOM 951 O GLY A 65 0.640 -5.344 -22.750 1.00 0.00 O ATOM 0 H GLY A 65 1.993 -1.627 -22.835 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.176 -3.291 -24.259 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.716 -4.126 -24.217 1.00 0.00 H new ATOM 955 N ILE A 66 1.983 -4.280 -21.292 1.00 0.00 N ATOM 956 CA ILE A 66 1.564 -5.084 -20.151 1.00 0.00 C ATOM 957 C ILE A 66 1.212 -4.203 -18.957 1.00 0.00 C ATOM 958 O ILE A 66 2.065 -3.494 -18.423 1.00 0.00 O ATOM 959 CB ILE A 66 2.660 -6.082 -19.733 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.735 -7.239 -20.732 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.394 -6.604 -18.329 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.410 -7.933 -20.953 1.00 0.00 C ATOM 0 H ILE A 66 2.681 -3.569 -21.073 1.00 0.00 H new ATOM 0 HA ILE A 66 0.679 -5.638 -20.464 1.00 0.00 H new ATOM 0 HB ILE A 66 3.620 -5.565 -19.732 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.102 -6.861 -21.686 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.463 -7.968 -20.377 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.177 -7.308 -18.048 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.386 -5.771 -17.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.428 -7.108 -18.305 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.538 -8.742 -21.672 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.051 -8.341 -20.008 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.684 -7.217 -21.338 1.00 0.00 H new ATOM 974 N SER A 67 -0.049 -4.255 -18.542 1.00 0.00 N ATOM 975 CA SER A 67 -0.516 -3.460 -17.412 1.00 0.00 C ATOM 976 C SER A 67 -1.182 -4.345 -16.363 1.00 0.00 C ATOM 977 O SER A 67 -2.180 -5.012 -16.639 1.00 0.00 O ATOM 978 CB SER A 67 -1.496 -2.386 -17.887 1.00 0.00 C ATOM 979 OG SER A 67 -2.755 -2.952 -18.209 1.00 0.00 O ATOM 0 H SER A 67 -0.766 -4.839 -18.971 1.00 0.00 H new ATOM 0 HA SER A 67 0.349 -2.977 -16.958 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.620 -1.633 -17.109 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.088 -1.877 -18.761 1.00 0.00 H new ATOM 0 HG SER A 67 -2.783 -3.882 -17.903 1.00 0.00 H new ATOM 985 N LYS A 68 -0.622 -4.347 -15.158 1.00 0.00 N ATOM 986 CA LYS A 68 -1.160 -5.149 -14.065 1.00 0.00 C ATOM 987 C LYS A 68 -1.060 -4.399 -12.740 1.00 0.00 C ATOM 988 O LYS A 68 -0.077 -3.705 -12.483 1.00 0.00 O ATOM 989 CB LYS A 68 -0.414 -6.481 -13.967 1.00 0.00 C ATOM 990 CG LYS A 68 1.047 -6.392 -14.372 1.00 0.00 C ATOM 991 CD LYS A 68 1.881 -7.464 -13.691 1.00 0.00 C ATOM 992 CE LYS A 68 1.754 -8.803 -14.401 1.00 0.00 C ATOM 993 NZ LYS A 68 2.602 -8.865 -15.624 1.00 0.00 N ATOM 0 H LYS A 68 0.205 -3.802 -14.913 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.212 -5.344 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.476 -6.848 -12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.913 -7.215 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.133 -6.496 -15.454 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.438 -5.408 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.927 -7.157 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.563 -7.569 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.040 -9.604 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.712 -8.973 -14.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.133 -9.453 -16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.741 -7.905 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.525 -9.280 -15.386 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.082 -4.546 -11.904 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.107 -3.883 -10.605 1.00 0.00 C ATOM 1009 C GLU A 69 -2.132 -4.905 -9.473 1.00 0.00 C ATOM 1010 O GLU A 69 -2.726 -5.977 -9.601 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.324 -2.961 -10.501 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.627 -3.625 -10.913 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.844 -2.937 -10.326 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -5.897 -2.778 -9.089 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -6.743 -2.556 -11.105 1.00 0.00 O ATOM 0 H GLU A 69 -2.903 -5.118 -12.102 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.199 -3.287 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.415 -2.608 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.159 -2.084 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.703 -3.624 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.615 -4.668 -10.595 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.482 -4.568 -8.365 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.428 -5.455 -7.208 1.00 0.00 C ATOM 1024 C LEU A 70 -1.610 -4.673 -5.912 1.00 0.00 C ATOM 1025 O LEU A 70 -1.401 -3.460 -5.872 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.096 -6.208 -7.180 1.00 0.00 C ATOM 1027 CG LEU A 70 0.168 -7.149 -8.356 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.628 -7.573 -8.383 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.742 -8.366 -8.281 1.00 0.00 C ATOM 0 H LEU A 70 -0.984 -3.686 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.243 -6.173 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.711 -5.477 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.049 -6.788 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.051 -6.614 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.797 -8.242 -9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.261 -6.692 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.874 -8.089 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.540 -9.024 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.556 -8.902 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.783 -8.044 -8.313 1.00 0.00 H new ATOM 1041 N LEU A 71 -1.999 -5.375 -4.853 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.207 -4.746 -3.553 1.00 0.00 C ATOM 1043 C LEU A 71 -1.652 -5.618 -2.431 1.00 0.00 C ATOM 1044 O LEU A 71 -1.700 -6.846 -2.505 1.00 0.00 O ATOM 1045 CB LEU A 71 -3.697 -4.487 -3.323 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.041 -3.295 -2.429 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.194 -2.031 -3.261 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -5.310 -3.571 -1.636 1.00 0.00 C ATOM 0 H LEU A 71 -2.177 -6.379 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.674 -3.795 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.173 -4.338 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.138 -5.383 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.223 -3.145 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.439 -1.193 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.260 -1.824 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.993 -2.169 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.539 -2.712 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.137 -3.748 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.164 -4.451 -1.010 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.127 -4.975 -1.393 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.563 -5.693 -0.256 1.00 0.00 C ATOM 1062 C GLU A 72 -1.511 -5.647 0.940 1.00 0.00 C ATOM 1063 O GLU A 72 -2.371 -4.771 1.029 1.00 0.00 O ATOM 1064 CB GLU A 72 0.792 -5.098 0.130 1.00 0.00 C ATOM 1065 CG GLU A 72 1.729 -6.096 0.791 1.00 0.00 C ATOM 1066 CD GLU A 72 1.473 -6.239 2.278 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.777 -5.373 2.848 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.969 -7.219 2.873 1.00 0.00 O ATOM 0 H GLU A 72 -1.080 -3.959 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.424 -6.734 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.272 -4.699 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.631 -4.259 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.615 -7.068 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.760 -5.781 0.632 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.345 -6.596 1.855 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.186 -6.664 3.044 1.00 0.00 C ATOM 1077 C GLU A 73 -1.336 -6.760 4.308 1.00 0.00 C ATOM 1078 O GLU A 73 -0.673 -7.770 4.548 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.131 -7.865 2.960 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.001 -7.868 1.714 1.00 0.00 C ATOM 1081 CD GLU A 73 -4.802 -9.147 1.565 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.577 -9.472 2.490 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -4.654 -9.823 0.526 1.00 0.00 O ATOM 0 H GLU A 73 -0.637 -7.328 1.796 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.776 -5.749 3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.543 -8.782 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.773 -7.874 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.683 -7.019 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.371 -7.734 0.835 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.359 -5.702 5.112 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.592 -5.666 6.351 1.00 0.00 C ATOM 1092 C VAL A 74 -1.472 -5.272 7.532 1.00 0.00 C ATOM 1093 O VAL A 74 -2.447 -4.538 7.375 1.00 0.00 O ATOM 1094 CB VAL A 74 0.587 -4.680 6.252 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.823 -5.378 5.704 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.212 -3.486 5.387 1.00 0.00 C ATOM 0 H VAL A 74 -1.901 -4.858 4.927 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.203 -6.672 6.512 1.00 0.00 H new ATOM 0 HB VAL A 74 0.818 -4.316 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.645 -4.665 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.102 -6.197 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.608 -5.772 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.057 -2.800 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.047 -3.829 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.643 -2.972 5.827 1.00 0.00 H new ATOM 1106 N GLY A 75 -1.120 -5.765 8.715 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.888 -5.453 9.907 1.00 0.00 C ATOM 1108 C GLY A 75 -1.282 -4.317 10.707 1.00 0.00 C ATOM 1109 O GLY A 75 -0.401 -3.609 10.220 1.00 0.00 O ATOM 0 H GLY A 75 -0.317 -6.375 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.906 -5.189 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.954 -6.341 10.536 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.755 -4.143 11.936 1.00 0.00 N ATOM 1114 CA GLN A 76 -1.255 -3.084 12.804 1.00 0.00 C ATOM 1115 C GLN A 76 0.187 -3.357 13.221 1.00 0.00 C ATOM 1116 O GLN A 76 1.057 -2.500 13.077 1.00 0.00 O ATOM 1117 CB GLN A 76 -2.140 -2.950 14.044 1.00 0.00 C ATOM 1118 CG GLN A 76 -2.189 -4.209 14.895 1.00 0.00 C ATOM 1119 CD GLN A 76 -3.411 -4.262 15.790 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -3.955 -3.228 16.179 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -3.851 -5.470 16.122 1.00 0.00 N ATOM 0 H GLN A 76 -2.484 -4.722 12.353 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.282 -2.149 12.245 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.775 -2.123 14.653 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.152 -2.693 13.732 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.182 -5.083 14.244 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.291 -4.262 15.510 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.370 -6.301 15.777 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.670 -5.567 16.722 1.00 0.00 H new ATOM 1130 N ASN A 77 0.431 -4.556 13.739 1.00 0.00 N ATOM 1131 CA ASN A 77 1.767 -4.941 14.177 1.00 0.00 C ATOM 1132 C ASN A 77 2.799 -4.660 13.089 1.00 0.00 C ATOM 1133 O ASN A 77 3.605 -3.738 13.207 1.00 0.00 O ATOM 1134 CB ASN A 77 1.796 -6.425 14.552 1.00 0.00 C ATOM 1135 CG ASN A 77 1.064 -6.707 15.849 1.00 0.00 C ATOM 1136 OD1 ASN A 77 -0.122 -7.039 15.847 1.00 0.00 O ATOM 1137 ND2 ASN A 77 1.769 -6.577 16.967 1.00 0.00 N ATOM 0 H ASN A 77 -0.279 -5.277 13.866 1.00 0.00 H new ATOM 0 HA ASN A 77 2.020 -4.346 15.055 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.346 -7.009 13.749 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.831 -6.754 14.643 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.330 -6.754 17.870 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.750 -6.300 16.922 1.00 0.00 H new ATOM 1144 N GLY A 78 2.768 -5.463 12.029 1.00 0.00 N ATOM 1145 CA GLY A 78 3.704 -5.284 10.935 1.00 0.00 C ATOM 1146 C GLY A 78 3.970 -3.823 10.633 1.00 0.00 C ATOM 1147 O GLY A 78 3.040 -3.023 10.531 1.00 0.00 O ATOM 0 H GLY A 78 2.111 -6.234 11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.644 -5.778 11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.312 -5.771 10.042 1.00 0.00 H new ATOM 1151 N SER A 79 5.244 -3.472 10.490 1.00 0.00 N ATOM 1152 CA SER A 79 5.631 -2.096 10.202 1.00 0.00 C ATOM 1153 C SER A 79 6.385 -2.008 8.879 1.00 0.00 C ATOM 1154 O SER A 79 6.241 -1.039 8.133 1.00 0.00 O ATOM 1155 CB SER A 79 6.497 -1.540 11.334 1.00 0.00 C ATOM 1156 OG SER A 79 5.696 -1.016 12.380 1.00 0.00 O ATOM 0 H SER A 79 6.026 -4.122 10.569 1.00 0.00 H new ATOM 0 HA SER A 79 4.723 -1.499 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.140 -2.328 11.725 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.150 -0.759 10.946 1.00 0.00 H new ATOM 0 HG SER A 79 6.273 -0.669 13.092 1.00 0.00 H new ATOM 1162 N ARG A 80 7.190 -3.027 8.596 1.00 0.00 N ATOM 1163 CA ARG A 80 7.968 -3.065 7.364 1.00 0.00 C ATOM 1164 C ARG A 80 7.352 -4.036 6.361 1.00 0.00 C ATOM 1165 O ARG A 80 7.016 -5.169 6.705 1.00 0.00 O ATOM 1166 CB ARG A 80 9.413 -3.471 7.661 1.00 0.00 C ATOM 1167 CG ARG A 80 10.344 -3.325 6.468 1.00 0.00 C ATOM 1168 CD ARG A 80 10.369 -4.588 5.622 1.00 0.00 C ATOM 1169 NE ARG A 80 11.294 -5.585 6.154 1.00 0.00 N ATOM 1170 CZ ARG A 80 11.374 -6.831 5.699 1.00 0.00 C ATOM 1171 NH1 ARG A 80 10.588 -7.230 4.709 1.00 0.00 N ATOM 1172 NH2 ARG A 80 12.241 -7.680 6.235 1.00 0.00 N ATOM 0 H ARG A 80 7.320 -3.836 9.203 1.00 0.00 H new ATOM 0 HA ARG A 80 7.960 -2.066 6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.791 -2.863 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.428 -4.507 7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.023 -2.482 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.352 -3.100 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.366 -5.013 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.656 -4.335 4.601 1.00 0.00 H new ATOM 0 HE ARG A 80 11.913 -5.310 6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.920 -6.580 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.651 -8.187 4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.847 -7.377 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.301 -8.636 5.885 1.00 0.00 H new ATOM 1186 N ALA A 81 7.206 -3.584 5.120 1.00 0.00 N ATOM 1187 CA ALA A 81 6.631 -4.413 4.067 1.00 0.00 C ATOM 1188 C ALA A 81 7.570 -4.508 2.870 1.00 0.00 C ATOM 1189 O ALA A 81 8.314 -3.572 2.576 1.00 0.00 O ATOM 1190 CB ALA A 81 5.280 -3.860 3.639 1.00 0.00 C ATOM 0 H ALA A 81 7.478 -2.648 4.819 1.00 0.00 H new ATOM 0 HA ALA A 81 6.490 -5.418 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.862 -4.488 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.603 -3.850 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.405 -2.844 3.264 1.00 0.00 H new ATOM 1196 N ARG A 82 7.531 -5.645 2.182 1.00 0.00 N ATOM 1197 CA ARG A 82 8.381 -5.862 1.017 1.00 0.00 C ATOM 1198 C ARG A 82 7.616 -6.589 -0.085 1.00 0.00 C ATOM 1199 O ARG A 82 6.871 -7.532 0.181 1.00 0.00 O ATOM 1200 CB ARG A 82 9.621 -6.667 1.407 1.00 0.00 C ATOM 1201 CG ARG A 82 10.569 -6.926 0.247 1.00 0.00 C ATOM 1202 CD ARG A 82 11.518 -8.075 0.549 1.00 0.00 C ATOM 1203 NE ARG A 82 10.966 -9.364 0.139 1.00 0.00 N ATOM 1204 CZ ARG A 82 11.641 -10.506 0.202 1.00 0.00 C ATOM 1205 NH1 ARG A 82 12.887 -10.520 0.657 1.00 0.00 N ATOM 1206 NH2 ARG A 82 11.070 -11.638 -0.190 1.00 0.00 N ATOM 0 H ARG A 82 6.920 -6.429 2.411 1.00 0.00 H new ATOM 0 HA ARG A 82 8.692 -4.888 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.158 -6.134 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.306 -7.622 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.994 -7.154 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.143 -6.024 0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.465 -7.907 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.733 -8.096 1.617 1.00 0.00 H new ATOM 0 HE ARG A 82 10.010 -9.388 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.329 -9.652 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.403 -11.399 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.112 -11.631 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.589 -12.515 -0.141 1.00 0.00 H new ATOM 1220 N ILE A 83 7.805 -6.142 -1.322 1.00 0.00 N ATOM 1221 CA ILE A 83 7.133 -6.750 -2.464 1.00 0.00 C ATOM 1222 C ILE A 83 8.142 -7.303 -3.465 1.00 0.00 C ATOM 1223 O ILE A 83 9.227 -6.748 -3.640 1.00 0.00 O ATOM 1224 CB ILE A 83 6.216 -5.741 -3.181 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.646 -4.736 -2.178 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.094 -6.468 -3.907 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.512 -3.904 -2.736 1.00 0.00 C ATOM 0 H ILE A 83 8.417 -5.362 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 83 6.526 -7.567 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 83 6.805 -5.196 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.293 -5.273 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.445 -4.072 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.455 -5.742 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.519 -7.148 -4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.503 -7.036 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.157 -3.214 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.865 -3.339 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.696 -4.559 -3.041 1.00 0.00 H new ATOM 1239 N SER A 84 7.776 -8.400 -4.121 1.00 0.00 N ATOM 1240 CA SER A 84 8.650 -9.030 -5.104 1.00 0.00 C ATOM 1241 C SER A 84 8.363 -8.499 -6.505 1.00 0.00 C ATOM 1242 O SER A 84 7.329 -8.807 -7.098 1.00 0.00 O ATOM 1243 CB SER A 84 8.473 -10.549 -5.075 1.00 0.00 C ATOM 1244 OG SER A 84 9.328 -11.144 -4.114 1.00 0.00 O ATOM 0 H SER A 84 6.881 -8.871 -3.990 1.00 0.00 H new ATOM 0 HA SER A 84 9.681 -8.787 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.436 -10.793 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.686 -10.962 -6.061 1.00 0.00 H new ATOM 0 HG SER A 84 9.194 -12.115 -4.114 1.00 0.00 H new ATOM 1250 N VAL A 85 9.287 -7.700 -7.030 1.00 0.00 N ATOM 1251 CA VAL A 85 9.135 -7.127 -8.362 1.00 0.00 C ATOM 1252 C VAL A 85 8.551 -8.144 -9.335 1.00 0.00 C ATOM 1253 O VAL A 85 9.255 -9.030 -9.818 1.00 0.00 O ATOM 1254 CB VAL A 85 10.482 -6.621 -8.912 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.287 -5.936 -10.256 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.145 -5.681 -7.916 1.00 0.00 C ATOM 0 H VAL A 85 10.149 -7.435 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 85 8.450 -6.285 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 85 11.139 -7.478 -9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.249 -5.585 -10.629 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.859 -6.643 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.613 -5.088 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.095 -5.333 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.494 -4.826 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.321 -6.209 -6.979 1.00 0.00 H new ATOM 1266 N GLN A 86 7.259 -8.010 -9.617 1.00 0.00 N ATOM 1267 CA GLN A 86 6.579 -8.919 -10.533 1.00 0.00 C ATOM 1268 C GLN A 86 6.878 -8.554 -11.983 1.00 0.00 C ATOM 1269 O GLN A 86 6.850 -9.410 -12.868 1.00 0.00 O ATOM 1270 CB GLN A 86 5.070 -8.890 -10.288 1.00 0.00 C ATOM 1271 CG GLN A 86 4.678 -9.233 -8.860 1.00 0.00 C ATOM 1272 CD GLN A 86 4.716 -10.724 -8.587 1.00 0.00 C ATOM 1273 OE1 GLN A 86 5.052 -11.519 -9.465 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.371 -11.111 -7.365 1.00 0.00 N ATOM 0 H GLN A 86 6.662 -7.282 -9.225 1.00 0.00 H new ATOM 0 HA GLN A 86 6.950 -9.927 -10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.690 -7.898 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.587 -9.592 -10.967 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.351 -8.724 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.674 -8.857 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.099 -10.418 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.378 -12.102 -7.123 1.00 0.00 H new ATOM 1283 N VAL A 87 7.165 -7.278 -12.221 1.00 0.00 N ATOM 1284 CA VAL A 87 7.470 -6.800 -13.564 1.00 0.00 C ATOM 1285 C VAL A 87 8.642 -5.824 -13.547 1.00 0.00 C ATOM 1286 O VAL A 87 8.813 -5.059 -12.597 1.00 0.00 O ATOM 1287 CB VAL A 87 6.251 -6.110 -14.204 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.680 -5.261 -15.391 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.214 -7.141 -14.622 1.00 0.00 C ATOM 0 H VAL A 87 7.193 -6.557 -11.501 1.00 0.00 H new ATOM 0 HA VAL A 87 7.737 -7.674 -14.158 1.00 0.00 H new ATOM 0 HB VAL A 87 5.797 -5.452 -13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.805 -4.781 -15.830 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.383 -4.498 -15.057 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.159 -5.895 -16.137 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.360 -6.636 -15.072 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.654 -7.826 -15.347 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.884 -7.701 -13.747 1.00 0.00 H new ATOM 1299 N HIS A 88 9.446 -5.856 -14.605 1.00 0.00 N ATOM 1300 CA HIS A 88 10.603 -4.974 -14.712 1.00 0.00 C ATOM 1301 C HIS A 88 10.439 -4.004 -15.879 1.00 0.00 C ATOM 1302 O HIS A 88 9.683 -4.265 -16.813 1.00 0.00 O ATOM 1303 CB HIS A 88 11.881 -5.793 -14.891 1.00 0.00 C ATOM 1304 CG HIS A 88 12.420 -6.349 -13.609 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.282 -7.672 -13.245 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.102 -5.754 -12.603 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.854 -7.866 -12.071 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.360 -6.718 -11.659 1.00 0.00 N ATOM 0 H HIS A 88 9.318 -6.482 -15.400 1.00 0.00 H new ATOM 0 HA HIS A 88 10.677 -4.398 -13.790 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.683 -6.615 -15.579 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.643 -5.166 -15.354 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.390 -4.714 -12.552 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.900 -8.804 -11.538 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.861 -6.571 -10.783 1.00 0.00 H new ATOM 1317 N ASN A 89 11.152 -2.884 -15.815 1.00 0.00 N ATOM 1318 CA ASN A 89 11.085 -1.875 -16.866 1.00 0.00 C ATOM 1319 C ASN A 89 9.681 -1.285 -16.964 1.00 0.00 C ATOM 1320 O ASN A 89 9.233 -0.897 -18.042 1.00 0.00 O ATOM 1321 CB ASN A 89 11.490 -2.480 -18.211 1.00 0.00 C ATOM 1322 CG ASN A 89 11.837 -1.422 -19.240 1.00 0.00 C ATOM 1323 OD1 ASN A 89 10.956 -0.855 -19.885 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.128 -1.152 -19.398 1.00 0.00 N ATOM 0 H ASN A 89 11.782 -2.652 -15.047 1.00 0.00 H new ATOM 0 HA ASN A 89 11.780 -1.075 -16.611 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.347 -3.138 -18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.675 -3.097 -18.589 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.423 -0.450 -20.076 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.824 -1.647 -18.841 1.00 0.00 H new ATOM 1331 N ALA A 90 8.992 -1.219 -15.829 1.00 0.00 N ATOM 1332 CA ALA A 90 7.641 -0.674 -15.786 1.00 0.00 C ATOM 1333 C ALA A 90 7.498 0.351 -14.666 1.00 0.00 C ATOM 1334 O ALA A 90 8.364 0.463 -13.797 1.00 0.00 O ATOM 1335 CB ALA A 90 6.626 -1.794 -15.612 1.00 0.00 C ATOM 0 H ALA A 90 9.348 -1.536 -14.927 1.00 0.00 H new ATOM 0 HA ALA A 90 7.449 -0.168 -16.732 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.621 -1.373 -15.581 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.703 -2.488 -16.449 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.826 -2.324 -14.681 1.00 0.00 H new ATOM 1341 N THR A 91 6.400 1.100 -14.692 1.00 0.00 N ATOM 1342 CA THR A 91 6.144 2.118 -13.681 1.00 0.00 C ATOM 1343 C THR A 91 5.182 1.604 -12.615 1.00 0.00 C ATOM 1344 O THR A 91 4.098 1.112 -12.930 1.00 0.00 O ATOM 1345 CB THR A 91 5.562 3.399 -14.307 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.455 3.071 -15.154 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.622 4.137 -15.112 1.00 0.00 C ATOM 0 H THR A 91 5.673 1.020 -15.403 1.00 0.00 H new ATOM 0 HA THR A 91 7.103 2.353 -13.219 1.00 0.00 H new ATOM 0 HB THR A 91 5.222 4.049 -13.501 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.090 3.891 -15.547 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.188 5.038 -15.545 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.450 4.411 -14.458 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.988 3.491 -15.910 1.00 0.00 H new ATOM 1355 N CYS A 92 5.584 1.724 -11.355 1.00 0.00 N ATOM 1356 CA CYS A 92 4.757 1.271 -10.242 1.00 0.00 C ATOM 1357 C CYS A 92 4.435 2.426 -9.300 1.00 0.00 C ATOM 1358 O CYS A 92 5.281 3.281 -9.035 1.00 0.00 O ATOM 1359 CB CYS A 92 5.464 0.153 -9.475 1.00 0.00 C ATOM 1360 SG CYS A 92 4.611 -0.361 -7.966 1.00 0.00 S ATOM 0 H CYS A 92 6.477 2.131 -11.078 1.00 0.00 H new ATOM 0 HA CYS A 92 3.822 0.886 -10.649 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.572 -0.711 -10.131 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.470 0.484 -9.216 1.00 0.00 H new ATOM 0 HG CYS A 92 3.407 -0.753 -8.260 1.00 0.00 H new ATOM 1366 N THR A 93 3.204 2.447 -8.796 1.00 0.00 N ATOM 1367 CA THR A 93 2.769 3.498 -7.886 1.00 0.00 C ATOM 1368 C THR A 93 2.491 2.940 -6.495 1.00 0.00 C ATOM 1369 O THR A 93 1.594 2.116 -6.313 1.00 0.00 O ATOM 1370 CB THR A 93 1.502 4.203 -8.406 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.618 4.445 -9.813 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.276 5.519 -7.677 1.00 0.00 C ATOM 0 H THR A 93 2.491 1.747 -9.003 1.00 0.00 H new ATOM 0 HA THR A 93 3.581 4.222 -7.829 1.00 0.00 H new ATOM 0 HB THR A 93 0.648 3.551 -8.219 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.808 4.892 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.376 5.998 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.158 5.328 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.132 6.175 -7.836 1.00 0.00 H new ATOM 1380 N VAL A 94 3.265 3.394 -5.514 1.00 0.00 N ATOM 1381 CA VAL A 94 3.101 2.941 -4.138 1.00 0.00 C ATOM 1382 C VAL A 94 2.241 3.913 -3.339 1.00 0.00 C ATOM 1383 O VAL A 94 2.407 5.129 -3.435 1.00 0.00 O ATOM 1384 CB VAL A 94 4.462 2.779 -3.435 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.288 2.094 -2.088 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.428 2.002 -4.316 1.00 0.00 C ATOM 0 H VAL A 94 4.012 4.076 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 94 2.605 1.971 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 94 4.882 3.770 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.260 1.988 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.633 2.694 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.847 1.108 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.384 1.897 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.017 1.014 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.576 2.537 -5.254 1.00 0.00 H new ATOM 1396 N ARG A 95 1.321 3.369 -2.549 1.00 0.00 N ATOM 1397 CA ARG A 95 0.433 4.188 -1.733 1.00 0.00 C ATOM 1398 C ARG A 95 0.029 3.450 -0.460 1.00 0.00 C ATOM 1399 O ARG A 95 -0.537 2.357 -0.518 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.814 4.575 -2.529 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.506 5.278 -3.841 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.772 5.789 -4.510 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.397 6.867 -3.748 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.278 7.717 -4.263 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.636 7.615 -5.536 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -3.802 8.672 -3.506 1.00 0.00 N ATOM 0 H ARG A 95 1.171 2.364 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 95 0.971 5.093 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.396 3.677 -2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.438 5.225 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.172 6.112 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.009 4.590 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.534 6.145 -5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.479 4.967 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.143 6.973 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.235 6.883 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.313 8.269 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.528 8.754 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.478 9.324 -3.903 1.00 0.00 H new ATOM 1420 N ILE A 96 0.323 4.053 0.687 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.010 3.453 1.972 1.00 0.00 C ATOM 1422 C ILE A 96 -1.157 4.198 2.646 1.00 0.00 C ATOM 1423 O ILE A 96 -1.089 5.411 2.846 1.00 0.00 O ATOM 1424 CB ILE A 96 1.205 3.438 2.919 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.469 3.040 2.155 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.960 2.487 4.081 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.629 2.675 3.055 1.00 0.00 C ATOM 0 H ILE A 96 0.791 4.957 0.752 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.316 2.426 1.771 1.00 0.00 H new ATOM 0 HB ILE A 96 1.346 4.441 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.241 2.193 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.767 3.865 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.828 2.488 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.081 2.811 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.796 1.480 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.491 2.404 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.884 3.528 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.349 1.830 3.685 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.208 3.465 2.996 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.368 4.056 3.652 1.00 0.00 C ATOM 1441 C ALA A 97 -3.565 3.475 5.048 1.00 0.00 C ATOM 1442 O ALA A 97 -3.373 2.279 5.266 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.616 3.842 2.809 1.00 0.00 C ATOM 0 H ALA A 97 -2.280 2.460 2.836 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.190 5.127 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.475 4.288 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.481 4.311 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.787 2.774 2.677 1.00 0.00 H new ATOM 1449 N ALA A 98 -3.948 4.329 5.991 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.172 3.900 7.366 1.00 0.00 C ATOM 1451 C ALA A 98 -5.537 3.238 7.519 1.00 0.00 C ATOM 1452 O ALA A 98 -6.565 3.829 7.189 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.047 5.083 8.315 1.00 0.00 C ATOM 0 H ALA A 98 -4.110 5.323 5.828 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.410 3.163 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.217 4.748 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.048 5.510 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -4.787 5.839 8.053 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.540 2.007 8.020 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.779 1.265 8.217 1.00 0.00 C ATOM 1461 C VAL A 99 -7.164 1.219 9.692 1.00 0.00 C ATOM 1462 O VAL A 99 -6.326 0.967 10.557 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.661 -0.176 7.685 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -8.020 -0.860 7.689 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.058 -0.179 6.288 1.00 0.00 C ATOM 0 H VAL A 99 -4.698 1.503 8.297 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.554 1.790 7.658 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.998 -0.736 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.917 -1.877 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.409 -0.890 8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.709 -0.304 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.982 -1.205 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.695 0.396 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.065 0.270 6.319 1.00 0.00 H new ATOM 1475 N THR A 100 -8.441 1.466 9.972 1.00 0.00 N ATOM 1476 CA THR A 100 -8.938 1.454 11.342 1.00 0.00 C ATOM 1477 C THR A 100 -10.121 0.504 11.489 1.00 0.00 C ATOM 1478 O THR A 100 -10.560 -0.111 10.517 1.00 0.00 O ATOM 1479 CB THR A 100 -9.366 2.862 11.796 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.417 3.350 10.955 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.188 3.825 11.756 1.00 0.00 C ATOM 0 H THR A 100 -9.149 1.677 9.268 1.00 0.00 H new ATOM 0 HA THR A 100 -8.118 1.110 11.973 1.00 0.00 H new ATOM 0 HB THR A 100 -9.725 2.795 12.823 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.310 2.984 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.514 4.813 12.081 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.402 3.466 12.420 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.803 3.887 10.738 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.632 0.388 12.711 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.765 -0.488 12.985 1.00 0.00 C ATOM 1491 C ARG A 101 -13.066 0.133 12.485 1.00 0.00 C ATOM 1492 O ARG A 101 -14.117 -0.507 12.500 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.866 -0.773 14.484 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.069 -1.989 14.928 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.709 -2.665 16.131 1.00 0.00 C ATOM 1496 NE ARG A 101 -12.956 -3.339 15.781 1.00 0.00 N ATOM 1497 CZ ARG A 101 -13.602 -4.162 16.600 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -13.120 -4.411 17.811 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -14.731 -4.738 16.210 1.00 0.00 N ATOM 0 H ARG A 101 -10.279 0.889 13.526 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.603 -1.426 12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.518 0.100 15.036 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.913 -0.920 14.748 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.998 -2.700 14.105 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.052 -1.688 15.177 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.012 -3.389 16.553 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.903 -1.921 16.904 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.353 -3.169 14.857 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.252 -3.970 18.115 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.618 -5.043 18.438 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.105 -4.550 15.280 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.225 -5.370 16.840 1.00 0.00 H new ATOM 1513 N GLY A 102 -12.988 1.385 12.044 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.166 2.071 11.548 1.00 0.00 C ATOM 1515 C GLY A 102 -14.228 2.094 10.033 1.00 0.00 C ATOM 1516 O GLY A 102 -15.287 1.877 9.445 1.00 0.00 O ATOM 0 H GLY A 102 -12.130 1.936 12.022 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.059 1.582 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.173 3.094 11.925 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.090 2.359 9.399 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.042 2.406 7.950 1.00 0.00 C ATOM 1522 C GLY A 103 -11.656 2.725 7.425 1.00 0.00 C ATOM 1523 O GLY A 103 -10.723 2.933 8.202 1.00 0.00 O ATOM 0 H GLY A 103 -12.200 2.542 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.367 1.447 7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.745 3.157 7.591 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.519 2.763 6.104 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.236 3.058 5.476 1.00 0.00 C ATOM 1529 C VAL A 104 -10.124 4.537 5.124 1.00 0.00 C ATOM 1530 O VAL A 104 -11.063 5.134 4.600 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.030 2.221 4.200 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -8.651 2.478 3.610 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -10.225 0.742 4.497 1.00 0.00 C ATOM 0 H VAL A 104 -12.281 2.593 5.447 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.463 2.800 6.199 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.775 2.522 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.523 1.878 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.554 3.534 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.887 2.206 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.076 0.165 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.504 0.424 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.236 0.576 4.870 1.00 0.00 H new ATOM 1543 N GLY A 105 -8.967 5.124 5.416 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.752 6.529 5.123 1.00 0.00 C ATOM 1545 C GLY A 105 -8.107 6.747 3.770 1.00 0.00 C ATOM 1546 O GLY A 105 -7.815 5.801 3.038 1.00 0.00 O ATOM 0 H GLY A 105 -8.175 4.651 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.707 7.054 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.121 6.966 5.897 1.00 0.00 H new ATOM 1550 N PRO A 106 -7.876 8.020 3.418 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.260 8.390 2.140 1.00 0.00 C ATOM 1552 C PRO A 106 -5.786 8.002 2.074 1.00 0.00 C ATOM 1553 O PRO A 106 -5.027 8.244 3.012 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.414 9.912 2.098 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.500 10.323 3.528 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.199 9.198 4.241 1.00 0.00 C ATOM 0 HA PRO A 106 -7.728 7.878 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.565 10.382 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.308 10.205 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.508 10.493 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.054 11.256 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.839 9.085 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.275 9.365 4.299 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.388 7.398 0.959 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.005 6.975 0.771 1.00 0.00 C ATOM 1566 C PHE A 107 -3.069 8.180 0.732 1.00 0.00 C ATOM 1567 O PHE A 107 -3.449 9.261 0.281 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.868 6.167 -0.521 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.407 4.769 -0.414 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.763 4.547 -0.240 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.557 3.677 -0.487 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.262 3.262 -0.140 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.050 2.390 -0.389 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.404 2.182 -0.216 1.00 0.00 C ATOM 0 H PHE A 107 -6.003 7.191 0.172 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.725 6.346 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.390 6.689 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.816 6.122 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.438 5.388 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.497 3.834 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.321 3.102 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.377 1.547 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.792 1.177 -0.140 1.00 0.00 H new ATOM 1584 N SER A 108 -1.844 7.985 1.209 1.00 0.00 N ATOM 1585 CA SER A 108 -0.854 9.056 1.233 1.00 0.00 C ATOM 1586 C SER A 108 -0.472 9.475 -0.183 1.00 0.00 C ATOM 1587 O SER A 108 -1.035 8.983 -1.161 1.00 0.00 O ATOM 1588 CB SER A 108 0.393 8.608 1.998 1.00 0.00 C ATOM 1589 OG SER A 108 0.941 7.429 1.436 1.00 0.00 O ATOM 0 H SER A 108 -1.513 7.096 1.584 1.00 0.00 H new ATOM 0 HA SER A 108 -1.295 9.914 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.139 9.403 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.138 8.432 3.043 1.00 0.00 H new ATOM 0 HG SER A 108 0.430 6.652 1.744 1.00 0.00 H new ATOM 1595 N ASP A 109 0.488 10.388 -0.284 1.00 0.00 N ATOM 1596 CA ASP A 109 0.947 10.874 -1.580 1.00 0.00 C ATOM 1597 C ASP A 109 1.561 9.743 -2.399 1.00 0.00 C ATOM 1598 O ASP A 109 2.478 9.051 -1.956 1.00 0.00 O ATOM 1599 CB ASP A 109 1.967 11.999 -1.394 1.00 0.00 C ATOM 1600 CG ASP A 109 2.793 11.829 -0.135 1.00 0.00 C ATOM 1601 OD1 ASP A 109 3.836 11.144 -0.197 1.00 0.00 O ATOM 1602 OD2 ASP A 109 2.398 12.381 0.913 1.00 0.00 O ATOM 0 H ASP A 109 0.963 10.806 0.516 1.00 0.00 H new ATOM 0 HA ASP A 109 0.084 11.262 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.630 12.031 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.446 12.956 -1.357 1.00 0.00 H new ATOM 1607 N PRO A 110 1.044 9.549 -3.621 1.00 0.00 N ATOM 1608 CA PRO A 110 1.527 8.502 -4.527 1.00 0.00 C ATOM 1609 C PRO A 110 2.926 8.795 -5.058 1.00 0.00 C ATOM 1610 O PRO A 110 3.209 9.903 -5.514 1.00 0.00 O ATOM 1611 CB PRO A 110 0.507 8.523 -5.668 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.050 9.905 -5.654 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.050 10.336 -4.213 1.00 0.00 C ATOM 0 HA PRO A 110 1.609 7.537 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.978 8.296 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.275 7.780 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.556 10.576 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.059 9.924 -6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.126 11.407 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.004 10.124 -3.730 1.00 0.00 H new ATOM 1621 N VAL A 111 3.798 7.793 -4.996 1.00 0.00 N ATOM 1622 CA VAL A 111 5.168 7.943 -5.473 1.00 0.00 C ATOM 1623 C VAL A 111 5.436 7.037 -6.669 1.00 0.00 C ATOM 1624 O VAL A 111 5.418 5.811 -6.550 1.00 0.00 O ATOM 1625 CB VAL A 111 6.187 7.623 -4.362 1.00 0.00 C ATOM 1626 CG1 VAL A 111 6.350 6.119 -4.204 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.524 8.285 -4.659 1.00 0.00 C ATOM 0 H VAL A 111 3.580 6.870 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 111 5.286 8.983 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 111 5.811 8.024 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.073 5.912 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.390 5.675 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.704 5.691 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.232 8.049 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.909 7.916 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.390 9.365 -4.716 1.00 0.00 H new ATOM 1637 N LYS A 112 5.686 7.647 -7.822 1.00 0.00 N ATOM 1638 CA LYS A 112 5.960 6.897 -9.042 1.00 0.00 C ATOM 1639 C LYS A 112 7.424 6.473 -9.103 1.00 0.00 C ATOM 1640 O LYS A 112 8.319 7.312 -9.203 1.00 0.00 O ATOM 1641 CB LYS A 112 5.610 7.737 -10.272 1.00 0.00 C ATOM 1642 CG LYS A 112 6.134 7.157 -11.574 1.00 0.00 C ATOM 1643 CD LYS A 112 5.639 7.946 -12.775 1.00 0.00 C ATOM 1644 CE LYS A 112 6.135 7.343 -14.081 1.00 0.00 C ATOM 1645 NZ LYS A 112 7.467 7.882 -14.470 1.00 0.00 N ATOM 0 H LYS A 112 5.705 8.660 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 112 5.340 6.000 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.526 7.835 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.014 8.741 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.224 7.158 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.817 6.118 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.549 7.967 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.978 8.979 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.197 6.259 -13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.415 7.549 -14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.770 7.447 -15.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.402 8.913 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.161 7.664 -13.726 1.00 0.00 H new ATOM 1659 N ILE A 113 7.660 5.167 -9.043 1.00 0.00 N ATOM 1660 CA ILE A 113 9.015 4.632 -9.093 1.00 0.00 C ATOM 1661 C ILE A 113 9.231 3.800 -10.352 1.00 0.00 C ATOM 1662 O ILE A 113 8.487 2.856 -10.621 1.00 0.00 O ATOM 1663 CB ILE A 113 9.325 3.765 -7.859 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.540 2.874 -8.126 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.115 2.923 -7.486 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.338 2.552 -6.883 1.00 0.00 C ATOM 0 H ILE A 113 6.930 4.459 -8.960 1.00 0.00 H new ATOM 0 HA ILE A 113 9.691 5.487 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 113 9.558 4.422 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.204 1.943 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.191 3.368 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.350 2.316 -6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.273 3.577 -7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.853 2.272 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.184 1.917 -7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.704 3.476 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.702 2.030 -6.168 1.00 0.00 H new ATOM 1678 N PHE A 114 10.255 4.154 -11.121 1.00 0.00 N ATOM 1679 CA PHE A 114 10.570 3.439 -12.352 1.00 0.00 C ATOM 1680 C PHE A 114 11.360 2.167 -12.056 1.00 0.00 C ATOM 1681 O PHE A 114 12.444 2.218 -11.474 1.00 0.00 O ATOM 1682 CB PHE A 114 11.368 4.338 -13.300 1.00 0.00 C ATOM 1683 CG PHE A 114 12.245 3.577 -14.252 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.494 3.126 -13.855 1.00 0.00 C ATOM 1685 CD2 PHE A 114 11.822 3.313 -15.544 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.303 2.425 -14.728 1.00 0.00 C ATOM 1687 CE2 PHE A 114 12.627 2.612 -16.422 1.00 0.00 C ATOM 1688 CZ PHE A 114 13.870 2.169 -16.014 1.00 0.00 C ATOM 0 H PHE A 114 10.881 4.932 -10.913 1.00 0.00 H new ATOM 0 HA PHE A 114 9.631 3.160 -12.830 1.00 0.00 H new ATOM 0 HB2 PHE A 114 10.675 4.955 -13.872 1.00 0.00 H new ATOM 0 HB3 PHE A 114 11.987 5.015 -12.711 1.00 0.00 H new ATOM 0 HD1 PHE A 114 13.839 3.325 -12.851 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.852 3.659 -15.869 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.273 2.077 -14.405 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.284 2.411 -17.426 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.502 1.624 -16.699 1.00 0.00 H new ATOM 1698 N ILE A 115 10.807 1.028 -12.459 1.00 0.00 N ATOM 1699 CA ILE A 115 11.459 -0.257 -12.238 1.00 0.00 C ATOM 1700 C ILE A 115 12.512 -0.531 -13.306 1.00 0.00 C ATOM 1701 O ILE A 115 12.201 -0.757 -14.476 1.00 0.00 O ATOM 1702 CB ILE A 115 10.440 -1.411 -12.229 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.192 -1.013 -11.439 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.066 -2.667 -11.643 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.393 -1.039 -9.939 1.00 0.00 C ATOM 0 H ILE A 115 9.909 0.969 -12.940 1.00 0.00 H new ATOM 0 HA ILE A 115 11.942 -0.202 -11.262 1.00 0.00 H new ATOM 0 HB ILE A 115 10.144 -1.622 -13.257 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.886 -0.011 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.376 -1.687 -11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.333 -3.473 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 115 11.927 -2.959 -12.244 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.388 -2.470 -10.620 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.468 -0.746 -9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.669 -2.046 -9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.187 -0.344 -9.666 1.00 0.00 H new ATOM 1717 N PRO A 116 13.789 -0.513 -12.897 1.00 0.00 N ATOM 1718 CA PRO A 116 14.914 -0.760 -13.804 1.00 0.00 C ATOM 1719 C PRO A 116 14.980 -2.212 -14.264 1.00 0.00 C ATOM 1720 O PRO A 116 14.925 -3.134 -13.451 1.00 0.00 O ATOM 1721 CB PRO A 116 16.138 -0.413 -12.953 1.00 0.00 C ATOM 1722 CG PRO A 116 15.691 -0.616 -11.546 1.00 0.00 C ATOM 1723 CD PRO A 116 14.233 -0.250 -11.518 1.00 0.00 C ATOM 0 HA PRO A 116 14.835 -0.175 -14.720 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.984 -1.056 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.459 0.615 -13.122 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.840 -1.650 -11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.263 0.009 -10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.681 -0.852 -10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.086 0.794 -11.241 1.00 0.00 H new ATOM 1731 N ALA A 117 15.098 -2.408 -15.573 1.00 0.00 N ATOM 1732 CA ALA A 117 15.173 -3.749 -16.141 1.00 0.00 C ATOM 1733 C ALA A 117 16.083 -4.647 -15.309 1.00 0.00 C ATOM 1734 O ALA A 117 15.611 -5.520 -14.580 1.00 0.00 O ATOM 1735 CB ALA A 117 15.664 -3.685 -17.580 1.00 0.00 C ATOM 0 H ALA A 117 15.144 -1.656 -16.260 1.00 0.00 H new ATOM 0 HA ALA A 117 14.172 -4.179 -16.129 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.715 -4.693 -17.992 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.974 -3.085 -18.173 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.655 -3.231 -17.607 1.00 0.00 H new ATOM 1741 N HIS A 118 17.389 -4.427 -15.423 1.00 0.00 N ATOM 1742 CA HIS A 118 18.365 -5.217 -14.681 1.00 0.00 C ATOM 1743 C HIS A 118 19.690 -4.470 -14.560 1.00 0.00 C ATOM 1744 O HIS A 118 20.301 -4.105 -15.564 1.00 0.00 O ATOM 1745 CB HIS A 118 18.587 -6.566 -15.366 1.00 0.00 C ATOM 1746 CG HIS A 118 19.324 -7.555 -14.517 1.00 0.00 C ATOM 1747 ND1 HIS A 118 18.693 -8.407 -13.635 1.00 0.00 N ATOM 1748 CD2 HIS A 118 20.646 -7.826 -14.418 1.00 0.00 C ATOM 1749 CE1 HIS A 118 19.595 -9.159 -13.030 1.00 0.00 C ATOM 1750 NE2 HIS A 118 20.789 -8.826 -13.488 1.00 0.00 N ATOM 0 H HIS A 118 17.796 -3.708 -16.022 1.00 0.00 H new ATOM 0 HA HIS A 118 17.972 -5.387 -13.679 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.620 -6.987 -15.643 1.00 0.00 H new ATOM 0 HB3 HIS A 118 19.143 -6.408 -16.290 1.00 0.00 H new ATOM 0 HD2 HIS A 118 21.441 -7.345 -14.968 1.00 0.00 H new ATOM 0 HE1 HIS A 118 19.391 -9.917 -12.288 1.00 0.00 H new ATOM 0 HE2 HIS A 118 21.673 -9.244 -13.198 1.00 0.00 H new ATOM 1759 N SER A 119 20.126 -4.246 -13.325 1.00 0.00 N ATOM 1760 CA SER A 119 21.376 -3.538 -13.073 1.00 0.00 C ATOM 1761 C SER A 119 22.569 -4.347 -13.573 1.00 0.00 C ATOM 1762 O SER A 119 22.429 -5.508 -13.957 1.00 0.00 O ATOM 1763 CB SER A 119 21.531 -3.251 -11.578 1.00 0.00 C ATOM 1764 OG SER A 119 22.289 -2.073 -11.361 1.00 0.00 O ATOM 0 H SER A 119 19.633 -4.544 -12.483 1.00 0.00 H new ATOM 0 HA SER A 119 21.346 -2.594 -13.616 1.00 0.00 H new ATOM 0 HB2 SER A 119 20.547 -3.144 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 119 22.018 -4.096 -11.091 1.00 0.00 H new ATOM 0 HG SER A 119 22.372 -1.910 -10.398 1.00 0.00 H new ATOM 1770 N GLY A 120 23.743 -3.724 -13.566 1.00 0.00 N ATOM 1771 CA GLY A 120 24.944 -4.400 -14.021 1.00 0.00 C ATOM 1772 C GLY A 120 25.768 -4.954 -12.876 1.00 0.00 C ATOM 1773 O GLY A 120 25.344 -5.862 -12.161 1.00 0.00 O ATOM 0 H GLY A 120 23.884 -2.763 -13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 120 24.667 -5.213 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 120 25.552 -3.704 -14.598 1.00 0.00 H new ATOM 1777 N PRO A 121 26.976 -4.402 -12.689 1.00 0.00 N ATOM 1778 CA PRO A 121 27.887 -4.833 -11.624 1.00 0.00 C ATOM 1779 C PRO A 121 27.385 -4.440 -10.238 1.00 0.00 C ATOM 1780 O PRO A 121 26.755 -3.396 -10.069 1.00 0.00 O ATOM 1781 CB PRO A 121 29.188 -4.095 -11.950 1.00 0.00 C ATOM 1782 CG PRO A 121 28.760 -2.895 -12.722 1.00 0.00 C ATOM 1783 CD PRO A 121 27.546 -3.316 -13.503 1.00 0.00 C ATOM 0 HA PRO A 121 27.992 -5.917 -11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 121 29.721 -3.812 -11.042 1.00 0.00 H new ATOM 0 HB3 PRO A 121 29.863 -4.721 -12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 121 28.526 -2.065 -12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 121 29.554 -2.556 -13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 121 26.842 -2.493 -13.625 1.00 0.00 H new ATOM 0 HD3 PRO A 121 27.811 -3.660 -14.503 1.00 0.00 H new ATOM 1791 N SER A 122 27.669 -5.282 -9.250 1.00 0.00 N ATOM 1792 CA SER A 122 27.244 -5.024 -7.880 1.00 0.00 C ATOM 1793 C SER A 122 28.354 -4.342 -7.085 1.00 0.00 C ATOM 1794 O SER A 122 29.486 -4.225 -7.555 1.00 0.00 O ATOM 1795 CB SER A 122 26.839 -6.330 -7.194 1.00 0.00 C ATOM 1796 OG SER A 122 27.948 -7.203 -7.064 1.00 0.00 O ATOM 0 H SER A 122 28.192 -6.149 -9.373 1.00 0.00 H new ATOM 0 HA SER A 122 26.383 -4.357 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 122 26.425 -6.114 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 122 26.053 -6.819 -7.770 1.00 0.00 H new ATOM 0 HG SER A 122 27.663 -8.030 -6.621 1.00 0.00 H new ATOM 1802 N SER A 123 28.020 -3.894 -5.879 1.00 0.00 N ATOM 1803 CA SER A 123 28.987 -3.221 -5.020 1.00 0.00 C ATOM 1804 C SER A 123 29.087 -3.916 -3.665 1.00 0.00 C ATOM 1805 O SER A 123 28.116 -3.974 -2.912 1.00 0.00 O ATOM 1806 CB SER A 123 28.594 -1.755 -4.826 1.00 0.00 C ATOM 1807 OG SER A 123 27.214 -1.632 -4.530 1.00 0.00 O ATOM 0 H SER A 123 27.088 -3.985 -5.475 1.00 0.00 H new ATOM 0 HA SER A 123 29.962 -3.268 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 123 29.183 -1.321 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 123 28.827 -1.190 -5.729 1.00 0.00 H new ATOM 0 HG SER A 123 26.955 -2.322 -3.884 1.00 0.00 H new ATOM 1813 N GLY A 124 30.269 -4.443 -3.363 1.00 0.00 N ATOM 1814 CA GLY A 124 30.475 -5.128 -2.100 1.00 0.00 C ATOM 1815 C GLY A 124 31.320 -4.321 -1.134 1.00 0.00 C ATOM 1816 O GLY A 124 31.917 -3.314 -1.514 1.00 0.00 O ATOM 0 H GLY A 124 31.088 -4.408 -3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 124 29.508 -5.340 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 124 30.957 -6.088 -2.285 1.00 0.00 H new TER 1820 GLY A 124