USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1033 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 113 GLN :FLIP amide:sc= -3.07! C(o=-3.6!,f=-2.7!) USER MOD Set 1.2: A 116 TYR OH : rot -1:sc= 0.412 USER MOD Set 2.1: A 102 THR OG1 : rot -92:sc= 1.79 USER MOD Set 2.2: A 104 SER OG : rot 117:sc= 1.29 USER MOD Set 3.1: A 89 ASN :FLIP amide:sc= 0.211 X(o=-0.36!,f=0.13) USER MOD Set 3.2: A 94 ASN :FLIP amide:sc= -0.583 F(o=-2.1,f=0.13) USER MOD Set 3.3: A 123 GLN :FLIP amide:sc= 0.5 X(o=-0.36,f=0.13) USER MOD Set 4.1: A 59 ASN : amide:sc= 0.877 K(o=3.3,f=-10!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 155:sc= 2.46 (180deg=0.109) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.101 F(o=-1.3!,f=-0.1) USER MOD Single : A 15 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0045) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.433 K(o=0.43,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0447) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0315 (180deg=-0.259) USER MOD Single : A 29 THR OG1 : rot 60:sc= 1.09 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 71:sc= 2.8 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 54 THR OG1 : rot -76:sc= 0.849 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 60 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0571 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 76 SER OG : rot 73:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= 0.293 K(o=0.29,f=-0.43) USER MOD Single : A 82 CYS SG : rot 90:sc= 0.884 USER MOD Single : A 85 THR OG1 : rot 86:sc= 0.945 USER MOD Single : A 87 LYS NZ :NH3+ -109:sc= -0.0531 (180deg=-4.26!) USER MOD Single : A 90 GLN : amide:sc= -1.95! X(o=-2!,f=-2.2) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 179:sc= 0 (180deg=-0.00285) USER MOD Single : A 106 ASN : amide:sc= -0.15 K(o=-0.15,f=-3!) USER MOD Single : A 107 TYR OH : rot -39:sc= 0.867 USER MOD Single : A 108 SER OG : rot 79:sc= 1.15 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -162:sc= -0.0979 (180deg=-0.533) USER MOD Single : A 115 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.35) USER MOD Single : A 125 GLN : amide:sc= 1.03 K(o=1,f=-1.2) USER MOD Single : A 129 THR OG1 : rot -27:sc= 1.04 USER MOD Single : A 130 LYS NZ :NH3+ 171:sc=-0.00815 (180deg=-0.114) USER MOD Single : A 134 LYS NZ :NH3+ 142:sc= 0.188 (180deg=-0.29) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.528 9.609 2.893 1.00 0.00 N ATOM 2 CA PRO A 1 3.285 8.984 1.828 1.00 0.00 C ATOM 3 C PRO A 1 4.715 9.446 1.935 1.00 0.00 C ATOM 4 O PRO A 1 5.004 10.324 2.715 1.00 0.00 O ATOM 5 CB PRO A 1 2.687 9.383 0.489 1.00 0.00 C ATOM 6 CG PRO A 1 1.699 10.449 0.846 1.00 0.00 C ATOM 7 CD PRO A 1 1.370 10.287 2.314 1.00 0.00 C ATOM 0 H2 PRO A 1 3.112 10.276 3.397 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.225 8.908 3.569 1.00 0.00 H new ATOM 0 HA PRO A 1 3.249 7.898 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.449 9.756 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.205 8.538 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.115 11.438 0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.799 10.357 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.201 11.254 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.461 9.701 2.452 1.00 0.00 H new ATOM 17 N VAL A 2 5.579 8.863 1.171 1.00 0.00 N ATOM 18 CA VAL A 2 6.996 9.152 1.193 1.00 0.00 C ATOM 19 C VAL A 2 7.366 9.991 -0.011 1.00 0.00 C ATOM 20 O VAL A 2 6.760 9.856 -1.068 1.00 0.00 O ATOM 21 CB VAL A 2 7.823 7.822 1.163 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.322 8.062 1.212 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.404 6.887 2.270 1.00 0.00 C ATOM 0 H VAL A 2 5.322 8.149 0.490 1.00 0.00 H new ATOM 0 HA VAL A 2 7.225 9.698 2.109 1.00 0.00 H new ATOM 0 HB VAL A 2 7.602 7.350 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.845 7.106 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.623 8.661 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.576 8.592 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.998 5.974 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.562 7.370 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.348 6.640 2.157 1.00 0.00 H new ATOM 33 N THR A 3 8.300 10.891 0.166 1.00 0.00 N ATOM 34 CA THR A 3 8.870 11.608 -0.920 1.00 0.00 C ATOM 35 C THR A 3 10.387 11.327 -0.841 1.00 0.00 C ATOM 36 O THR A 3 10.931 11.202 0.294 1.00 0.00 O ATOM 37 CB THR A 3 8.524 13.131 -0.839 1.00 0.00 C ATOM 38 OG1 THR A 3 9.126 13.836 -1.928 1.00 0.00 O ATOM 39 CG2 THR A 3 8.952 13.744 0.492 1.00 0.00 C ATOM 0 H THR A 3 8.681 11.140 1.079 1.00 0.00 H new ATOM 0 HA THR A 3 8.471 11.289 -1.883 1.00 0.00 H new ATOM 0 HB THR A 3 7.440 13.224 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.900 14.788 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.693 14.803 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.440 13.235 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.029 13.633 0.614 1.00 0.00 H new ATOM 47 N GLU A 4 11.074 11.155 -1.993 1.00 0.00 N ATOM 48 CA GLU A 4 12.473 10.760 -1.949 1.00 0.00 C ATOM 49 C GLU A 4 13.344 11.332 -3.036 1.00 0.00 C ATOM 50 O GLU A 4 12.892 12.056 -3.911 1.00 0.00 O ATOM 51 CB GLU A 4 12.632 9.278 -1.918 1.00 0.00 C ATOM 52 CG GLU A 4 12.092 8.576 -3.141 1.00 0.00 C ATOM 53 CD GLU A 4 12.571 7.154 -3.300 1.00 0.00 C ATOM 54 OE1 GLU A 4 11.996 6.233 -2.699 1.00 0.00 O ATOM 55 OE2 GLU A 4 13.515 6.943 -4.082 1.00 0.00 O ATOM 0 H GLU A 4 10.686 11.282 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 4 12.826 11.197 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.690 9.039 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.127 8.887 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.003 8.578 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.375 9.144 -4.027 1.00 0.00 H new ATOM 62 N THR A 5 14.562 10.976 -2.945 1.00 0.00 N ATOM 63 CA THR A 5 15.582 11.461 -3.808 1.00 0.00 C ATOM 64 C THR A 5 16.615 10.348 -3.958 1.00 0.00 C ATOM 65 O THR A 5 16.633 9.399 -3.153 1.00 0.00 O ATOM 66 CB THR A 5 16.236 12.742 -3.183 1.00 0.00 C ATOM 67 OG1 THR A 5 17.142 13.366 -4.111 1.00 0.00 O ATOM 68 CG2 THR A 5 16.992 12.410 -1.881 1.00 0.00 C ATOM 0 H THR A 5 14.899 10.315 -2.245 1.00 0.00 H new ATOM 0 HA THR A 5 15.178 11.734 -4.783 1.00 0.00 H new ATOM 0 HB THR A 5 15.425 13.433 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.535 14.163 -3.698 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.433 13.320 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.298 11.987 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.780 11.688 -2.092 1.00 0.00 H new ATOM 76 N VAL A 6 17.437 10.432 -4.968 1.00 0.00 N ATOM 77 CA VAL A 6 18.489 9.476 -5.159 1.00 0.00 C ATOM 78 C VAL A 6 19.838 10.162 -5.181 1.00 0.00 C ATOM 79 O VAL A 6 20.085 11.064 -5.989 1.00 0.00 O ATOM 80 CB VAL A 6 18.287 8.563 -6.407 1.00 0.00 C ATOM 81 CG1 VAL A 6 17.138 7.595 -6.170 1.00 0.00 C ATOM 82 CG2 VAL A 6 18.029 9.376 -7.675 1.00 0.00 C ATOM 0 H VAL A 6 17.396 11.163 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 6 18.453 8.804 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 6 19.211 8.004 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.007 6.963 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.361 6.971 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.222 8.156 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.894 8.700 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.130 9.978 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 6 18.879 10.031 -7.867 1.00 0.00 H new ATOM 92 N ASP A 7 20.693 9.767 -4.257 1.00 0.00 N ATOM 93 CA ASP A 7 22.037 10.352 -4.140 1.00 0.00 C ATOM 94 C ASP A 7 22.943 9.827 -5.248 1.00 0.00 C ATOM 95 O ASP A 7 22.666 8.755 -5.815 1.00 0.00 O ATOM 96 CB ASP A 7 22.632 10.035 -2.758 1.00 0.00 C ATOM 97 CG ASP A 7 24.029 10.583 -2.569 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.166 11.734 -2.134 1.00 0.00 O ATOM 99 OD2 ASP A 7 25.008 9.881 -2.895 1.00 0.00 O ATOM 0 H ASP A 7 20.490 9.042 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 7 21.960 11.434 -4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 7 21.981 10.446 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.651 8.954 -2.617 1.00 0.00 H new ATOM 104 N GLY A 8 24.013 10.562 -5.554 1.00 0.00 N ATOM 105 CA GLY A 8 24.957 10.187 -6.588 1.00 0.00 C ATOM 106 C GLY A 8 25.585 8.821 -6.402 1.00 0.00 C ATOM 107 O GLY A 8 26.038 8.213 -7.377 1.00 0.00 O ATOM 0 H GLY A 8 24.243 11.438 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 8 24.449 10.211 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.749 10.935 -6.627 1.00 0.00 H new ATOM 111 N GLN A 9 25.618 8.318 -5.175 1.00 0.00 N ATOM 112 CA GLN A 9 26.170 6.981 -4.933 1.00 0.00 C ATOM 113 C GLN A 9 25.183 5.889 -5.382 1.00 0.00 C ATOM 114 O GLN A 9 25.495 4.696 -5.341 1.00 0.00 O ATOM 115 CB GLN A 9 26.560 6.792 -3.456 1.00 0.00 C ATOM 116 CG GLN A 9 25.394 6.680 -2.482 1.00 0.00 C ATOM 117 CD GLN A 9 25.847 6.629 -1.029 1.00 0.00 C ATOM 118 OE1 GLN A 9 26.864 7.227 -0.655 1.00 0.00 O ATOM 119 NE2 GLN A 9 25.141 5.881 -0.217 1.00 0.00 N ATOM 0 H GLN A 9 25.278 8.800 -4.343 1.00 0.00 H new ATOM 0 HA GLN A 9 27.077 6.887 -5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 9 27.170 5.893 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.186 7.631 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 9 24.727 7.530 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 9 24.819 5.783 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.308 5.402 -0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 9 25.425 5.778 0.757 1.00 0.00 H new ATOM 128 N GLY A 10 24.007 6.312 -5.789 1.00 0.00 N ATOM 129 CA GLY A 10 23.004 5.413 -6.293 1.00 0.00 C ATOM 130 C GLY A 10 22.119 4.837 -5.219 1.00 0.00 C ATOM 131 O GLY A 10 21.788 3.660 -5.263 1.00 0.00 O ATOM 0 H GLY A 10 23.723 7.292 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.385 5.942 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.493 4.597 -6.826 1.00 0.00 H new ATOM 135 N GLN A 11 21.734 5.639 -4.259 1.00 0.00 N ATOM 136 CA GLN A 11 20.832 5.175 -3.217 1.00 0.00 C ATOM 137 C GLN A 11 19.538 5.959 -3.319 1.00 0.00 C ATOM 138 O GLN A 11 19.533 7.034 -3.870 1.00 0.00 O ATOM 139 CB GLN A 11 21.437 5.381 -1.828 1.00 0.00 C ATOM 140 CG GLN A 11 21.865 6.822 -1.567 1.00 0.00 C ATOM 141 CD GLN A 11 22.070 7.150 -0.105 1.00 0.00 C ATOM 142 OE1 GLN A 11 21.267 6.577 0.748 1.00 0.00 O flip ATOM 143 NE2 GLN A 11 22.919 7.964 0.239 1.00 0.00 N flip ATOM 0 H GLN A 11 22.025 6.613 -4.171 1.00 0.00 H new ATOM 0 HA GLN A 11 20.653 4.108 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 11 20.709 5.083 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 11 22.301 4.726 -1.714 1.00 0.00 H new ATOM 0 HG2 GLN A 11 22.792 7.018 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 11 21.111 7.494 -1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 11 23.529 8.391 -0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 11 23.016 8.215 1.223 1.00 0.00 H new ATOM 152 N ALA A 12 18.498 5.445 -2.736 1.00 0.00 N ATOM 153 CA ALA A 12 17.181 6.054 -2.741 1.00 0.00 C ATOM 154 C ALA A 12 16.774 6.240 -1.309 1.00 0.00 C ATOM 155 O ALA A 12 16.789 5.283 -0.533 1.00 0.00 O ATOM 156 CB ALA A 12 16.212 5.149 -3.452 1.00 0.00 C ATOM 0 H ALA A 12 18.532 4.563 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 12 17.189 7.013 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.223 5.606 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.544 4.995 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.166 4.189 -2.937 1.00 0.00 H new ATOM 162 N TRP A 13 16.519 7.461 -0.929 1.00 0.00 N ATOM 163 CA TRP A 13 16.254 7.776 0.458 1.00 0.00 C ATOM 164 C TRP A 13 15.637 9.147 0.598 1.00 0.00 C ATOM 165 O TRP A 13 15.792 9.982 -0.287 1.00 0.00 O ATOM 166 CB TRP A 13 17.576 7.736 1.246 1.00 0.00 C ATOM 167 CG TRP A 13 18.607 8.747 0.803 1.00 0.00 C ATOM 168 CD1 TRP A 13 18.930 9.085 -0.480 1.00 0.00 C ATOM 169 CD2 TRP A 13 19.474 9.514 1.645 1.00 0.00 C ATOM 170 NE1 TRP A 13 19.914 10.009 -0.489 1.00 0.00 N ATOM 171 CE2 TRP A 13 20.281 10.294 0.798 1.00 0.00 C ATOM 172 CE3 TRP A 13 19.650 9.622 3.030 1.00 0.00 C ATOM 173 CZ2 TRP A 13 21.247 11.168 1.283 1.00 0.00 C ATOM 174 CZ3 TRP A 13 20.611 10.490 3.513 1.00 0.00 C ATOM 175 CH2 TRP A 13 21.398 11.251 2.646 1.00 0.00 C ATOM 0 H TRP A 13 16.488 8.262 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 13 15.552 7.040 0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 13 17.359 7.898 2.302 1.00 0.00 H new ATOM 0 HB3 TRP A 13 18.005 6.738 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 13 18.464 8.672 -1.362 1.00 0.00 H new ATOM 0 HE1 TRP A 13 20.321 10.429 -1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.046 9.038 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 21.855 11.759 0.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 20.756 10.581 4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 13 22.141 11.919 3.056 1.00 0.00 H new ATOM 186 N ARG A 14 14.899 9.335 1.695 1.00 0.00 N ATOM 187 CA ARG A 14 14.381 10.620 2.146 1.00 0.00 C ATOM 188 C ARG A 14 13.463 10.453 3.364 1.00 0.00 C ATOM 189 O ARG A 14 13.906 9.938 4.384 1.00 0.00 O ATOM 190 CB ARG A 14 13.834 11.547 1.068 1.00 0.00 C ATOM 191 CG ARG A 14 13.580 12.964 1.535 1.00 0.00 C ATOM 192 CD ARG A 14 13.725 14.018 0.440 1.00 0.00 C ATOM 193 NE ARG A 14 13.118 13.728 -0.856 1.00 0.00 N ATOM 194 CZ ARG A 14 12.460 14.665 -1.604 1.00 0.00 C ATOM 195 NH1 ARG A 14 12.234 15.884 -1.109 1.00 0.00 N ATOM 196 NH2 ARG A 14 12.049 14.377 -2.826 1.00 0.00 N ATOM 0 H ARG A 14 14.639 8.566 2.313 1.00 0.00 H new ATOM 0 HA ARG A 14 15.259 11.178 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.537 11.572 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.902 11.130 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.574 13.023 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.273 13.198 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.298 14.950 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 14 14.789 14.195 0.282 1.00 0.00 H new ATOM 0 HE ARG A 14 13.188 12.779 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.553 16.120 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.743 16.580 -1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.222 13.451 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.559 15.081 -3.378 1.00 0.00 H new ATOM 210 N HIS A 15 12.215 10.886 3.301 1.00 0.00 N ATOM 211 CA HIS A 15 11.364 10.870 4.498 1.00 0.00 C ATOM 212 C HIS A 15 9.995 10.398 4.169 1.00 0.00 C ATOM 213 O HIS A 15 9.487 10.688 3.092 1.00 0.00 O ATOM 214 CB HIS A 15 11.235 12.293 5.106 1.00 0.00 C ATOM 215 CG HIS A 15 12.454 12.812 5.826 1.00 0.00 C ATOM 216 ND1 HIS A 15 12.565 12.838 7.193 1.00 0.00 N ATOM 217 CD2 HIS A 15 13.615 13.331 5.358 1.00 0.00 C ATOM 218 CE1 HIS A 15 13.726 13.335 7.541 1.00 0.00 C ATOM 219 NE2 HIS A 15 14.391 13.644 6.450 1.00 0.00 N ATOM 0 H HIS A 15 11.768 11.247 2.458 1.00 0.00 H new ATOM 0 HA HIS A 15 11.835 10.195 5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.986 12.989 4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.396 12.295 5.802 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.881 13.473 4.321 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.078 13.468 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 15 15.327 14.049 6.418 1.00 0.00 H new ATOM 228 N HIS A 16 9.389 9.634 5.055 1.00 0.00 N ATOM 229 CA HIS A 16 7.988 9.394 4.882 1.00 0.00 C ATOM 230 C HIS A 16 7.313 10.572 5.493 1.00 0.00 C ATOM 231 O HIS A 16 7.823 11.132 6.460 1.00 0.00 O ATOM 232 CB HIS A 16 7.444 8.027 5.428 1.00 0.00 C ATOM 233 CG HIS A 16 7.218 7.874 6.902 1.00 0.00 C ATOM 234 ND1 HIS A 16 5.974 8.027 7.480 1.00 0.00 N ATOM 235 CD2 HIS A 16 8.043 7.490 7.888 1.00 0.00 C ATOM 236 CE1 HIS A 16 6.051 7.745 8.759 1.00 0.00 C ATOM 237 NE2 HIS A 16 7.288 7.415 9.032 1.00 0.00 N ATOM 0 H HIS A 16 9.826 9.191 5.863 1.00 0.00 H new ATOM 0 HA HIS A 16 7.772 9.288 3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.497 7.825 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.141 7.248 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 16 9.099 7.280 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.234 7.779 9.465 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.637 7.144 9.952 1.00 0.00 H new ATOM 246 N ASN A 17 6.215 10.932 5.002 1.00 0.00 N ATOM 247 CA ASN A 17 5.610 12.153 5.401 1.00 0.00 C ATOM 248 C ASN A 17 4.159 11.921 5.729 1.00 0.00 C ATOM 249 O ASN A 17 3.633 10.827 5.477 1.00 0.00 O ATOM 250 CB ASN A 17 5.738 13.087 4.203 1.00 0.00 C ATOM 251 CG ASN A 17 5.864 14.530 4.555 1.00 0.00 C ATOM 252 OD1 ASN A 17 5.295 15.019 5.532 1.00 0.00 O ATOM 253 ND2 ASN A 17 6.652 15.209 3.784 1.00 0.00 N ATOM 0 H ASN A 17 5.691 10.400 4.307 1.00 0.00 H new ATOM 0 HA ASN A 17 6.084 12.572 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.610 12.791 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.866 12.957 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.825 16.196 3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.099 14.757 2.987 1.00 0.00 H new ATOM 260 N GLY A 18 3.520 12.933 6.265 1.00 0.00 N ATOM 261 CA GLY A 18 2.132 12.861 6.623 1.00 0.00 C ATOM 262 C GLY A 18 1.229 12.637 5.423 1.00 0.00 C ATOM 263 O GLY A 18 1.633 12.878 4.264 1.00 0.00 O ATOM 0 H GLY A 18 3.955 13.834 6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.987 12.051 7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.842 13.785 7.124 1.00 0.00 H new ATOM 267 N PHE A 19 0.026 12.197 5.689 1.00 0.00 N ATOM 268 CA PHE A 19 -0.951 11.882 4.664 1.00 0.00 C ATOM 269 C PHE A 19 -1.567 13.159 4.155 1.00 0.00 C ATOM 270 O PHE A 19 -1.911 14.041 4.956 1.00 0.00 O ATOM 271 CB PHE A 19 -2.062 10.975 5.234 1.00 0.00 C ATOM 272 CG PHE A 19 -1.537 9.719 5.853 1.00 0.00 C ATOM 273 CD1 PHE A 19 -1.314 8.584 5.089 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.249 9.683 7.209 1.00 0.00 C ATOM 275 CE1 PHE A 19 -0.795 7.448 5.665 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.735 8.555 7.789 1.00 0.00 C ATOM 277 CZ PHE A 19 -0.507 7.435 7.024 1.00 0.00 C ATOM 0 H PHE A 19 -0.313 12.043 6.638 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.450 11.357 3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.629 11.531 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.756 10.716 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.549 8.592 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.433 10.557 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.612 6.570 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.509 8.544 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.103 6.544 7.481 1.00 0.00 H new ATOM 287 N ASP A 20 -1.705 13.279 2.856 1.00 0.00 N ATOM 288 CA ASP A 20 -2.318 14.436 2.259 1.00 0.00 C ATOM 289 C ASP A 20 -3.790 14.310 2.536 1.00 0.00 C ATOM 290 O ASP A 20 -4.395 13.280 2.168 1.00 0.00 O ATOM 291 CB ASP A 20 -2.066 14.392 0.754 1.00 0.00 C ATOM 292 CG ASP A 20 -2.344 15.694 0.082 1.00 0.00 C ATOM 293 OD1 ASP A 20 -3.516 15.990 -0.230 1.00 0.00 O ATOM 294 OD2 ASP A 20 -1.380 16.463 -0.160 1.00 0.00 O ATOM 0 H ASP A 20 -1.395 12.576 2.185 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.922 15.372 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.029 14.109 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.691 13.618 0.308 1.00 0.00 H new ATOM 299 N PHE A 21 -4.375 15.292 3.200 1.00 0.00 N ATOM 300 CA PHE A 21 -5.731 15.125 3.650 1.00 0.00 C ATOM 301 C PHE A 21 -6.702 15.031 2.502 1.00 0.00 C ATOM 302 O PHE A 21 -7.534 14.166 2.510 1.00 0.00 O ATOM 303 CB PHE A 21 -6.181 16.157 4.682 1.00 0.00 C ATOM 304 CG PHE A 21 -7.465 15.749 5.334 1.00 0.00 C ATOM 305 CD1 PHE A 21 -7.489 14.656 6.184 1.00 0.00 C ATOM 306 CD2 PHE A 21 -8.641 16.425 5.083 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.659 14.240 6.768 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.825 16.015 5.670 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.833 14.924 6.515 1.00 0.00 C ATOM 0 H PHE A 21 -3.941 16.186 3.431 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.736 14.169 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.408 16.277 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.307 17.126 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.573 14.123 6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.638 17.280 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.662 13.381 7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.742 16.548 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.755 14.605 6.978 1.00 0.00 H new ATOM 319 N ALA A 22 -6.560 15.897 1.505 1.00 0.00 N ATOM 320 CA ALA A 22 -7.418 15.884 0.312 1.00 0.00 C ATOM 321 C ALA A 22 -7.524 14.476 -0.296 1.00 0.00 C ATOM 322 O ALA A 22 -8.625 14.019 -0.649 1.00 0.00 O ATOM 323 CB ALA A 22 -6.899 16.867 -0.732 1.00 0.00 C ATOM 0 H ALA A 22 -5.850 16.629 1.495 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.416 16.190 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.547 16.843 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.892 17.873 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.886 16.588 -1.022 1.00 0.00 H new ATOM 329 N VAL A 23 -6.385 13.783 -0.362 1.00 0.00 N ATOM 330 CA VAL A 23 -6.303 12.432 -0.900 1.00 0.00 C ATOM 331 C VAL A 23 -7.135 11.447 -0.059 1.00 0.00 C ATOM 332 O VAL A 23 -8.043 10.784 -0.584 1.00 0.00 O ATOM 333 CB VAL A 23 -4.798 11.970 -1.006 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.686 10.531 -1.476 1.00 0.00 C ATOM 335 CG2 VAL A 23 -4.040 12.878 -1.970 1.00 0.00 C ATOM 0 H VAL A 23 -5.490 14.150 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.726 12.438 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.361 12.039 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.635 10.249 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.197 9.877 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.145 10.433 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.002 12.552 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.501 12.827 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.075 13.905 -1.606 1.00 0.00 H new ATOM 345 N ILE A 24 -6.823 11.377 1.221 1.00 0.00 N ATOM 346 CA ILE A 24 -7.542 10.495 2.158 1.00 0.00 C ATOM 347 C ILE A 24 -9.045 10.826 2.142 1.00 0.00 C ATOM 348 O ILE A 24 -9.880 9.951 2.005 1.00 0.00 O ATOM 349 CB ILE A 24 -7.021 10.659 3.623 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.506 10.456 3.726 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.753 9.742 4.609 1.00 0.00 C ATOM 352 CD1 ILE A 24 -5.008 9.078 3.347 1.00 0.00 C ATOM 0 H ILE A 24 -6.073 11.919 1.650 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.368 9.469 1.833 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.241 11.690 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.014 11.190 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.197 10.666 4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.354 9.894 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.817 9.976 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.609 8.702 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.924 9.041 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.463 8.334 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.277 8.866 2.312 1.00 0.00 H new ATOM 364 N LYS A 25 -9.330 12.108 2.227 1.00 0.00 N ATOM 365 CA LYS A 25 -10.667 12.679 2.295 1.00 0.00 C ATOM 366 C LYS A 25 -11.540 12.216 1.142 1.00 0.00 C ATOM 367 O LYS A 25 -12.647 11.718 1.358 1.00 0.00 O ATOM 368 CB LYS A 25 -10.529 14.204 2.284 1.00 0.00 C ATOM 369 CG LYS A 25 -11.787 15.014 2.510 1.00 0.00 C ATOM 370 CD LYS A 25 -11.454 16.515 2.482 1.00 0.00 C ATOM 371 CE LYS A 25 -11.141 17.033 1.072 1.00 0.00 C ATOM 372 NZ LYS A 25 -12.337 17.045 0.194 1.00 0.00 N ATOM 0 H LYS A 25 -8.601 12.821 2.252 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.155 12.343 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.805 14.483 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.106 14.498 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.523 14.781 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.233 14.749 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.294 17.076 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.599 16.704 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.734 18.042 1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.370 16.408 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.107 17.526 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.631 16.068 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.112 17.549 0.670 1.00 0.00 H new ATOM 386 N GLU A 26 -11.049 12.345 -0.080 1.00 0.00 N ATOM 387 CA GLU A 26 -11.845 11.946 -1.217 1.00 0.00 C ATOM 388 C GLU A 26 -11.922 10.447 -1.386 1.00 0.00 C ATOM 389 O GLU A 26 -12.929 9.941 -1.877 1.00 0.00 O ATOM 390 CB GLU A 26 -11.433 12.644 -2.490 1.00 0.00 C ATOM 391 CG GLU A 26 -11.649 14.129 -2.400 1.00 0.00 C ATOM 392 CD GLU A 26 -11.328 14.843 -3.660 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.169 15.225 -3.842 1.00 0.00 O ATOM 394 OE2 GLU A 26 -12.234 15.050 -4.484 1.00 0.00 O ATOM 0 H GLU A 26 -10.125 12.714 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.859 12.279 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.382 12.440 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.004 12.243 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.688 14.323 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.034 14.531 -1.595 1.00 0.00 H new ATOM 401 N LEU A 27 -10.876 9.724 -0.982 1.00 0.00 N ATOM 402 CA LEU A 27 -10.941 8.264 -1.044 1.00 0.00 C ATOM 403 C LEU A 27 -11.957 7.775 -0.028 1.00 0.00 C ATOM 404 O LEU A 27 -12.659 6.823 -0.266 1.00 0.00 O ATOM 405 CB LEU A 27 -9.570 7.565 -0.854 1.00 0.00 C ATOM 406 CG LEU A 27 -9.548 6.040 -1.107 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.215 5.739 -2.407 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.116 5.537 -1.145 1.00 0.00 C ATOM 0 H LEU A 27 -10.003 10.108 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.254 7.992 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.849 8.035 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.228 7.750 0.164 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.080 5.539 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.199 4.664 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.248 6.086 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.686 6.247 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.113 4.462 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.575 6.040 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.631 5.748 -0.192 1.00 0.00 H new ATOM 420 N LYS A 28 -12.058 8.496 1.078 1.00 0.00 N ATOM 421 CA LYS A 28 -13.024 8.215 2.118 1.00 0.00 C ATOM 422 C LYS A 28 -14.436 8.600 1.644 1.00 0.00 C ATOM 423 O LYS A 28 -15.428 7.930 1.949 1.00 0.00 O ATOM 424 CB LYS A 28 -12.658 9.005 3.369 1.00 0.00 C ATOM 425 CG LYS A 28 -13.449 8.613 4.601 1.00 0.00 C ATOM 426 CD LYS A 28 -13.006 9.424 5.803 1.00 0.00 C ATOM 427 CE LYS A 28 -13.704 8.978 7.065 1.00 0.00 C ATOM 428 NZ LYS A 28 -15.170 9.065 6.932 1.00 0.00 N ATOM 0 H LYS A 28 -11.463 9.300 1.277 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.013 7.149 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.596 8.869 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.812 10.066 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.513 8.771 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.314 7.550 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.928 9.327 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.213 10.479 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.419 7.952 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.376 9.596 7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.610 8.967 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.427 9.986 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.508 8.303 6.310 1.00 0.00 H new ATOM 442 N THR A 29 -14.506 9.682 0.898 1.00 0.00 N ATOM 443 CA THR A 29 -15.762 10.123 0.319 1.00 0.00 C ATOM 444 C THR A 29 -16.270 9.045 -0.631 1.00 0.00 C ATOM 445 O THR A 29 -17.418 8.567 -0.509 1.00 0.00 O ATOM 446 CB THR A 29 -15.616 11.463 -0.444 1.00 0.00 C ATOM 447 OG1 THR A 29 -15.034 12.457 0.434 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.985 11.975 -0.931 1.00 0.00 C ATOM 0 H THR A 29 -13.707 10.276 0.676 1.00 0.00 H new ATOM 0 HA THR A 29 -16.471 10.288 1.131 1.00 0.00 H new ATOM 0 HB THR A 29 -14.974 11.293 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.154 12.150 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.853 12.917 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.431 11.240 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.641 12.131 -0.074 1.00 0.00 H new ATOM 456 N ALA A 30 -15.401 8.618 -1.560 1.00 0.00 N ATOM 457 CA ALA A 30 -15.722 7.601 -2.498 1.00 0.00 C ATOM 458 C ALA A 30 -15.991 6.277 -1.814 1.00 0.00 C ATOM 459 O ALA A 30 -16.791 5.499 -2.263 1.00 0.00 O ATOM 460 CB ALA A 30 -14.631 7.461 -3.529 1.00 0.00 C ATOM 0 H ALA A 30 -14.456 8.989 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.639 7.899 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.898 6.677 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.510 8.404 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.695 7.201 -3.035 1.00 0.00 H new ATOM 466 N ALA A 31 -15.283 6.015 -0.769 1.00 0.00 N ATOM 467 CA ALA A 31 -15.493 4.839 0.038 1.00 0.00 C ATOM 468 C ALA A 31 -16.926 4.781 0.547 1.00 0.00 C ATOM 469 O ALA A 31 -17.591 3.756 0.425 1.00 0.00 O ATOM 470 CB ALA A 31 -14.589 4.900 1.215 1.00 0.00 C ATOM 0 H ALA A 31 -14.528 6.615 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.291 3.958 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.738 4.016 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.553 4.936 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.811 5.793 1.799 1.00 0.00 H new ATOM 476 N SER A 32 -17.390 5.876 1.075 1.00 0.00 N ATOM 477 CA SER A 32 -18.687 5.940 1.681 1.00 0.00 C ATOM 478 C SER A 32 -19.808 5.954 0.617 1.00 0.00 C ATOM 479 O SER A 32 -20.786 5.206 0.719 1.00 0.00 O ATOM 480 CB SER A 32 -18.743 7.178 2.604 1.00 0.00 C ATOM 481 OG SER A 32 -19.948 7.244 3.361 1.00 0.00 O ATOM 0 H SER A 32 -16.875 6.756 1.097 1.00 0.00 H new ATOM 0 HA SER A 32 -18.855 5.046 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.892 7.158 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.648 8.081 2.001 1.00 0.00 H new ATOM 0 HG SER A 32 -19.934 8.042 3.929 1.00 0.00 H new ATOM 487 N GLN A 33 -19.645 6.767 -0.405 1.00 0.00 N ATOM 488 CA GLN A 33 -20.650 6.961 -1.456 1.00 0.00 C ATOM 489 C GLN A 33 -20.603 5.901 -2.542 1.00 0.00 C ATOM 490 O GLN A 33 -21.627 5.315 -2.896 1.00 0.00 O ATOM 491 CB GLN A 33 -20.387 8.305 -2.112 1.00 0.00 C ATOM 492 CG GLN A 33 -20.535 9.464 -1.197 1.00 0.00 C ATOM 493 CD GLN A 33 -21.959 9.938 -1.137 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.774 9.487 -0.322 1.00 0.00 O ATOM 495 NE2 GLN A 33 -22.269 10.837 -2.004 1.00 0.00 N ATOM 0 H GLN A 33 -18.802 7.325 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.629 6.901 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -19.377 8.306 -2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.072 8.428 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.201 9.185 -0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.893 10.278 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.565 11.180 -2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.219 11.206 -2.038 1.00 0.00 H new ATOM 504 N TYR A 34 -19.420 5.650 -3.027 1.00 0.00 N ATOM 505 CA TYR A 34 -19.193 4.886 -4.241 1.00 0.00 C ATOM 506 C TYR A 34 -18.959 3.412 -3.962 1.00 0.00 C ATOM 507 O TYR A 34 -19.391 2.559 -4.731 1.00 0.00 O ATOM 508 CB TYR A 34 -18.002 5.532 -5.019 1.00 0.00 C ATOM 509 CG TYR A 34 -18.370 6.803 -5.747 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.461 8.007 -5.071 1.00 0.00 C ATOM 511 CD2 TYR A 34 -18.648 6.794 -7.101 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.827 9.169 -5.708 1.00 0.00 C ATOM 513 CE2 TYR A 34 -19.007 7.952 -7.761 1.00 0.00 C ATOM 514 CZ TYR A 34 -19.100 9.138 -7.064 1.00 0.00 C ATOM 515 OH TYR A 34 -19.490 10.285 -7.721 1.00 0.00 O ATOM 0 H TYR A 34 -18.560 5.975 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 34 -20.091 4.923 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.195 5.746 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.616 4.810 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -18.239 8.035 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.583 5.867 -7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.901 10.095 -5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -19.215 7.929 -8.821 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.640 10.084 -8.668 1.00 0.00 H new ATOM 525 N GLY A 35 -18.292 3.121 -2.863 1.00 0.00 N ATOM 526 CA GLY A 35 -17.991 1.745 -2.506 1.00 0.00 C ATOM 527 C GLY A 35 -16.827 1.236 -3.327 1.00 0.00 C ATOM 528 O GLY A 35 -16.582 1.741 -4.422 1.00 0.00 O ATOM 0 H GLY A 35 -17.948 3.816 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.753 1.681 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.866 1.118 -2.675 1.00 0.00 H new ATOM 532 N ALA A 36 -16.143 0.228 -2.875 1.00 0.00 N ATOM 533 CA ALA A 36 -14.977 -0.187 -3.592 1.00 0.00 C ATOM 534 C ALA A 36 -15.341 -1.172 -4.683 1.00 0.00 C ATOM 535 O ALA A 36 -15.296 -2.364 -4.486 1.00 0.00 O ATOM 536 CB ALA A 36 -13.887 -0.698 -2.681 1.00 0.00 C ATOM 0 H ALA A 36 -16.364 -0.309 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.556 0.694 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.026 -0.999 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.591 0.091 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.256 -1.555 -2.118 1.00 0.00 H new ATOM 542 N THR A 37 -15.646 -0.623 -5.839 1.00 0.00 N ATOM 543 CA THR A 37 -16.204 -1.316 -7.000 1.00 0.00 C ATOM 544 C THR A 37 -16.481 -0.285 -8.080 1.00 0.00 C ATOM 545 O THR A 37 -16.241 -0.528 -9.268 1.00 0.00 O ATOM 546 CB THR A 37 -17.475 -2.185 -6.656 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.065 -3.467 -6.125 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.397 -2.403 -7.847 1.00 0.00 C ATOM 0 H THR A 37 -15.507 0.373 -6.012 1.00 0.00 H new ATOM 0 HA THR A 37 -15.474 -2.040 -7.362 1.00 0.00 H new ATOM 0 HB THR A 37 -18.042 -1.624 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.696 -3.346 -5.225 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.250 -3.008 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.749 -1.440 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.853 -2.918 -8.639 1.00 0.00 H new ATOM 556 N ALA A 38 -16.939 0.882 -7.660 1.00 0.00 N ATOM 557 CA ALA A 38 -17.097 1.990 -8.574 1.00 0.00 C ATOM 558 C ALA A 38 -15.699 2.458 -8.979 1.00 0.00 C ATOM 559 O ALA A 38 -14.864 2.678 -8.100 1.00 0.00 O ATOM 560 CB ALA A 38 -17.856 3.132 -7.918 1.00 0.00 C ATOM 0 H ALA A 38 -17.206 1.082 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.669 1.673 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.961 3.953 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.844 2.785 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.308 3.477 -7.042 1.00 0.00 H new ATOM 566 N PRO A 39 -15.441 2.632 -10.291 1.00 0.00 N ATOM 567 CA PRO A 39 -14.094 2.934 -10.852 1.00 0.00 C ATOM 568 C PRO A 39 -13.354 4.058 -10.151 1.00 0.00 C ATOM 569 O PRO A 39 -12.136 3.984 -9.979 1.00 0.00 O ATOM 570 CB PRO A 39 -14.382 3.308 -12.316 1.00 0.00 C ATOM 571 CG PRO A 39 -15.859 3.480 -12.391 1.00 0.00 C ATOM 572 CD PRO A 39 -16.439 2.563 -11.364 1.00 0.00 C ATOM 0 HA PRO A 39 -13.432 2.077 -10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.864 4.225 -12.598 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.041 2.527 -12.996 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.141 4.514 -12.193 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.229 3.234 -13.386 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.421 2.896 -11.029 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.559 1.549 -11.745 1.00 0.00 H new ATOM 580 N TYR A 40 -14.099 5.065 -9.733 1.00 0.00 N ATOM 581 CA TYR A 40 -13.547 6.233 -9.094 1.00 0.00 C ATOM 582 C TYR A 40 -12.641 5.866 -7.913 1.00 0.00 C ATOM 583 O TYR A 40 -11.433 6.091 -7.978 1.00 0.00 O ATOM 584 CB TYR A 40 -14.673 7.194 -8.667 1.00 0.00 C ATOM 585 CG TYR A 40 -14.197 8.509 -8.071 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.596 9.471 -8.870 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.361 8.788 -6.720 1.00 0.00 C ATOM 588 CE1 TYR A 40 -13.168 10.681 -8.341 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.936 9.993 -6.177 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.340 10.938 -6.992 1.00 0.00 C ATOM 591 OH TYR A 40 -12.908 12.133 -6.456 1.00 0.00 O ATOM 0 H TYR A 40 -15.114 5.090 -9.831 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.918 6.746 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.296 7.409 -9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.306 6.689 -7.937 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.459 9.275 -9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.828 8.054 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.703 11.418 -8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.070 10.191 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.107 12.152 -5.497 1.00 0.00 H new ATOM 601 N THR A 41 -13.208 5.262 -6.854 1.00 0.00 N ATOM 602 CA THR A 41 -12.469 4.944 -5.645 1.00 0.00 C ATOM 603 C THR A 41 -11.217 4.085 -5.883 1.00 0.00 C ATOM 604 O THR A 41 -10.136 4.457 -5.441 1.00 0.00 O ATOM 605 CB THR A 41 -13.396 4.325 -4.562 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.691 4.047 -3.364 1.00 0.00 O ATOM 607 CG2 THR A 41 -14.058 3.071 -5.047 1.00 0.00 C ATOM 0 H THR A 41 -14.189 4.986 -6.824 1.00 0.00 H new ATOM 0 HA THR A 41 -12.094 5.896 -5.270 1.00 0.00 H new ATOM 0 HB THR A 41 -14.163 5.071 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.305 3.660 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.697 2.670 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.662 3.295 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.297 2.335 -5.307 1.00 0.00 H new ATOM 615 N LEU A 42 -11.323 2.992 -6.624 1.00 0.00 N ATOM 616 CA LEU A 42 -10.152 2.145 -6.787 1.00 0.00 C ATOM 617 C LEU A 42 -9.076 2.739 -7.661 1.00 0.00 C ATOM 618 O LEU A 42 -7.905 2.436 -7.492 1.00 0.00 O ATOM 619 CB LEU A 42 -10.404 0.617 -6.981 1.00 0.00 C ATOM 620 CG LEU A 42 -11.471 0.114 -7.977 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.863 0.313 -7.411 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.328 0.764 -9.343 1.00 0.00 C ATOM 0 H LEU A 42 -12.168 2.680 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.723 2.150 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.454 0.170 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.659 0.207 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.310 -0.954 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.602 -0.047 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.960 -0.243 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.030 1.373 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.099 0.380 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.437 1.844 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.345 0.534 -9.754 1.00 0.00 H new ATOM 634 N ALA A 43 -9.470 3.643 -8.525 1.00 0.00 N ATOM 635 CA ALA A 43 -8.528 4.401 -9.317 1.00 0.00 C ATOM 636 C ALA A 43 -7.731 5.309 -8.402 1.00 0.00 C ATOM 637 O ALA A 43 -6.571 5.607 -8.656 1.00 0.00 O ATOM 638 CB ALA A 43 -9.233 5.193 -10.397 1.00 0.00 C ATOM 0 H ALA A 43 -10.448 3.874 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.848 3.714 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.498 5.753 -10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.771 4.511 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.938 5.886 -9.938 1.00 0.00 H new ATOM 644 N ILE A 44 -8.355 5.715 -7.332 1.00 0.00 N ATOM 645 CA ILE A 44 -7.711 6.497 -6.311 1.00 0.00 C ATOM 646 C ILE A 44 -6.788 5.590 -5.480 1.00 0.00 C ATOM 647 O ILE A 44 -5.671 5.982 -5.166 1.00 0.00 O ATOM 648 CB ILE A 44 -8.748 7.190 -5.419 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.651 8.049 -6.281 1.00 0.00 C ATOM 650 CG2 ILE A 44 -8.068 8.063 -4.366 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.875 8.524 -5.584 1.00 0.00 C ATOM 0 H ILE A 44 -9.336 5.511 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.112 7.276 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.333 6.426 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.087 8.913 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.945 7.479 -7.163 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.826 8.543 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.426 7.444 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.466 8.826 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.469 9.132 -6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.463 7.667 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.592 9.122 -4.718 1.00 0.00 H new ATOM 663 N VAL A 45 -7.248 4.350 -5.193 1.00 0.00 N ATOM 664 CA VAL A 45 -6.449 3.319 -4.476 1.00 0.00 C ATOM 665 C VAL A 45 -5.130 3.083 -5.265 1.00 0.00 C ATOM 666 O VAL A 45 -4.015 3.098 -4.709 1.00 0.00 O ATOM 667 CB VAL A 45 -7.291 1.956 -4.315 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.487 0.830 -3.651 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.580 2.184 -3.500 1.00 0.00 C ATOM 0 H VAL A 45 -8.183 4.033 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.210 3.665 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.540 1.649 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.108 -0.062 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.607 0.606 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.174 1.145 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.125 1.244 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.322 2.550 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.206 2.919 -4.007 1.00 0.00 H new ATOM 679 N GLU A 46 -5.270 2.989 -6.574 1.00 0.00 N ATOM 680 CA GLU A 46 -4.147 2.814 -7.467 1.00 0.00 C ATOM 681 C GLU A 46 -3.331 4.110 -7.587 1.00 0.00 C ATOM 682 O GLU A 46 -2.122 4.066 -7.833 1.00 0.00 O ATOM 683 CB GLU A 46 -4.614 2.366 -8.845 1.00 0.00 C ATOM 684 CG GLU A 46 -5.486 1.123 -8.827 1.00 0.00 C ATOM 685 CD GLU A 46 -5.628 0.485 -10.184 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.635 -0.089 -10.699 1.00 0.00 O ATOM 687 OE2 GLU A 46 -6.738 0.511 -10.748 1.00 0.00 O ATOM 0 H GLU A 46 -6.172 3.033 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.508 2.039 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.169 3.180 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.741 2.176 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.061 0.398 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.474 1.385 -8.449 1.00 0.00 H new ATOM 694 N SER A 47 -3.989 5.257 -7.405 1.00 0.00 N ATOM 695 CA SER A 47 -3.312 6.543 -7.483 1.00 0.00 C ATOM 696 C SER A 47 -2.315 6.690 -6.334 1.00 0.00 C ATOM 697 O SER A 47 -1.167 7.090 -6.547 1.00 0.00 O ATOM 698 CB SER A 47 -4.317 7.723 -7.500 1.00 0.00 C ATOM 699 OG SER A 47 -3.656 8.980 -7.634 1.00 0.00 O ATOM 0 H SER A 47 -4.987 5.316 -7.203 1.00 0.00 H new ATOM 0 HA SER A 47 -2.765 6.574 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.018 7.591 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.901 7.716 -6.580 1.00 0.00 H new ATOM 0 HG SER A 47 -4.321 9.700 -7.642 1.00 0.00 H new ATOM 705 N VAL A 48 -2.727 6.322 -5.116 1.00 0.00 N ATOM 706 CA VAL A 48 -1.829 6.454 -3.980 1.00 0.00 C ATOM 707 C VAL A 48 -0.701 5.458 -4.135 1.00 0.00 C ATOM 708 O VAL A 48 0.431 5.746 -3.800 1.00 0.00 O ATOM 709 CB VAL A 48 -2.477 6.210 -2.583 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.770 7.066 -1.552 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.994 6.429 -2.546 1.00 0.00 C ATOM 0 H VAL A 48 -3.649 5.942 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.499 7.493 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.346 5.153 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.218 6.900 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.714 6.797 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.868 8.117 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.365 6.239 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.220 7.457 -2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.477 5.747 -3.245 1.00 0.00 H new ATOM 721 N ALA A 49 -1.016 4.313 -4.702 1.00 0.00 N ATOM 722 CA ALA A 49 -0.036 3.256 -4.901 1.00 0.00 C ATOM 723 C ALA A 49 1.051 3.632 -5.929 1.00 0.00 C ATOM 724 O ALA A 49 2.097 2.997 -6.002 1.00 0.00 O ATOM 725 CB ALA A 49 -0.728 1.988 -5.290 1.00 0.00 C ATOM 0 H ALA A 49 -1.952 4.085 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 49 0.482 3.109 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.011 1.201 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.419 1.694 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.281 2.145 -6.216 1.00 0.00 H new ATOM 731 N ASP A 50 0.826 4.690 -6.678 1.00 0.00 N ATOM 732 CA ASP A 50 1.824 5.177 -7.641 1.00 0.00 C ATOM 733 C ASP A 50 2.864 6.020 -6.882 1.00 0.00 C ATOM 734 O ASP A 50 3.798 6.570 -7.439 1.00 0.00 O ATOM 735 CB ASP A 50 1.144 6.023 -8.746 1.00 0.00 C ATOM 736 CG ASP A 50 2.079 6.435 -9.890 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.235 5.658 -10.864 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.650 7.545 -9.853 1.00 0.00 O ATOM 0 H ASP A 50 -0.034 5.237 -6.648 1.00 0.00 H new ATOM 0 HA ASP A 50 2.314 4.331 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.310 5.456 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.725 6.922 -8.293 1.00 0.00 H new ATOM 743 N ASN A 51 2.721 6.052 -5.597 1.00 0.00 N ATOM 744 CA ASN A 51 3.543 6.853 -4.730 1.00 0.00 C ATOM 745 C ASN A 51 4.219 5.949 -3.761 1.00 0.00 C ATOM 746 O ASN A 51 3.856 4.786 -3.644 1.00 0.00 O ATOM 747 CB ASN A 51 2.696 7.854 -3.936 1.00 0.00 C ATOM 748 CG ASN A 51 2.029 8.934 -4.766 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.593 10.010 -4.991 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.843 8.669 -5.230 1.00 0.00 N ATOM 0 H ASN A 51 2.013 5.510 -5.102 1.00 0.00 H new ATOM 0 HA ASN A 51 4.262 7.402 -5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.925 7.305 -3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.331 8.331 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.351 9.359 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.405 7.771 -5.026 1.00 0.00 H new ATOM 757 N TRP A 52 5.164 6.471 -3.063 1.00 0.00 N ATOM 758 CA TRP A 52 5.875 5.721 -2.088 1.00 0.00 C ATOM 759 C TRP A 52 5.119 5.799 -0.776 1.00 0.00 C ATOM 760 O TRP A 52 4.810 6.876 -0.313 1.00 0.00 O ATOM 761 CB TRP A 52 7.238 6.324 -1.922 1.00 0.00 C ATOM 762 CG TRP A 52 8.047 6.386 -3.178 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.502 5.340 -3.930 1.00 0.00 C ATOM 764 CD2 TRP A 52 8.526 7.567 -3.798 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.234 5.810 -4.987 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.272 7.178 -4.922 1.00 0.00 C ATOM 767 CE3 TRP A 52 8.399 8.919 -3.501 1.00 0.00 C ATOM 768 CZ2 TRP A 52 9.887 8.101 -5.751 1.00 0.00 C ATOM 769 CZ3 TRP A 52 9.020 9.835 -4.318 1.00 0.00 C ATOM 770 CH2 TRP A 52 9.754 9.426 -5.425 1.00 0.00 C ATOM 0 H TRP A 52 5.469 7.440 -3.153 1.00 0.00 H new ATOM 0 HA TRP A 52 5.971 4.680 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.129 7.333 -1.525 1.00 0.00 H new ATOM 0 HB3 TRP A 52 7.788 5.747 -1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.312 4.297 -3.722 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.678 5.237 -5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.824 9.244 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.449 7.790 -6.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.936 10.889 -4.096 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.232 10.171 -6.044 1.00 0.00 H new ATOM 781 N LEU A 53 4.749 4.676 -0.251 1.00 0.00 N ATOM 782 CA LEU A 53 4.042 4.577 1.022 1.00 0.00 C ATOM 783 C LEU A 53 4.634 3.464 1.844 1.00 0.00 C ATOM 784 O LEU A 53 4.903 2.381 1.321 1.00 0.00 O ATOM 785 CB LEU A 53 2.530 4.285 0.852 1.00 0.00 C ATOM 786 CG LEU A 53 1.552 5.405 0.468 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.776 5.904 -0.928 1.00 0.00 C ATOM 788 CD2 LEU A 53 0.134 4.906 0.615 1.00 0.00 C ATOM 0 H LEU A 53 4.925 3.773 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 53 4.152 5.544 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.437 3.505 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.178 3.861 1.792 1.00 0.00 H new ATOM 0 HG LEU A 53 1.728 6.244 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.060 6.695 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.789 6.297 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.642 5.084 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.561 5.700 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.020 4.049 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.042 4.609 1.649 1.00 0.00 H new ATOM 800 N THR A 54 4.826 3.710 3.110 1.00 0.00 N ATOM 801 CA THR A 54 5.360 2.706 3.994 1.00 0.00 C ATOM 802 C THR A 54 4.215 1.768 4.426 1.00 0.00 C ATOM 803 O THR A 54 3.042 2.076 4.150 1.00 0.00 O ATOM 804 CB THR A 54 6.000 3.378 5.256 1.00 0.00 C ATOM 805 OG1 THR A 54 4.999 4.062 6.015 1.00 0.00 O ATOM 806 CG2 THR A 54 7.082 4.380 4.866 1.00 0.00 C ATOM 0 H THR A 54 4.620 4.603 3.557 1.00 0.00 H new ATOM 0 HA THR A 54 6.133 2.138 3.476 1.00 0.00 H new ATOM 0 HB THR A 54 6.449 2.584 5.853 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.762 4.899 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.505 4.827 5.766 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.868 3.869 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.647 5.161 4.242 1.00 0.00 H new ATOM 814 N PRO A 55 4.492 0.613 5.096 1.00 0.00 N ATOM 815 CA PRO A 55 3.417 -0.232 5.624 1.00 0.00 C ATOM 816 C PRO A 55 2.537 0.579 6.571 1.00 0.00 C ATOM 817 O PRO A 55 1.315 0.374 6.656 1.00 0.00 O ATOM 818 CB PRO A 55 4.164 -1.307 6.405 1.00 0.00 C ATOM 819 CG PRO A 55 5.497 -1.388 5.758 1.00 0.00 C ATOM 820 CD PRO A 55 5.832 0.011 5.336 1.00 0.00 C ATOM 0 HA PRO A 55 2.767 -0.636 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.251 -1.042 7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.643 -2.263 6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.244 -1.777 6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.475 -2.060 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.383 0.546 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.449 0.026 4.437 1.00 0.00 H new ATOM 828 N THR A 56 3.181 1.524 7.236 1.00 0.00 N ATOM 829 CA THR A 56 2.563 2.434 8.138 1.00 0.00 C ATOM 830 C THR A 56 1.591 3.345 7.371 1.00 0.00 C ATOM 831 O THR A 56 0.434 3.525 7.784 1.00 0.00 O ATOM 832 CB THR A 56 3.658 3.282 8.794 1.00 0.00 C ATOM 833 OG1 THR A 56 4.739 2.416 9.221 1.00 0.00 O ATOM 834 CG2 THR A 56 3.118 4.050 9.988 1.00 0.00 C ATOM 0 H THR A 56 4.187 1.669 7.147 1.00 0.00 H new ATOM 0 HA THR A 56 2.005 1.888 8.899 1.00 0.00 H new ATOM 0 HB THR A 56 4.021 4.005 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.443 2.954 9.640 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.918 4.642 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.315 4.711 9.662 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.732 3.348 10.728 1.00 0.00 H new ATOM 842 N ASP A 57 2.046 3.877 6.230 1.00 0.00 N ATOM 843 CA ASP A 57 1.216 4.736 5.382 1.00 0.00 C ATOM 844 C ASP A 57 0.023 3.964 4.871 1.00 0.00 C ATOM 845 O ASP A 57 -1.122 4.368 5.090 1.00 0.00 O ATOM 846 CB ASP A 57 1.983 5.319 4.180 1.00 0.00 C ATOM 847 CG ASP A 57 2.996 6.392 4.493 1.00 0.00 C ATOM 848 OD1 ASP A 57 2.630 7.582 4.552 1.00 0.00 O ATOM 849 OD2 ASP A 57 4.194 6.055 4.604 1.00 0.00 O ATOM 0 H ASP A 57 2.989 3.726 5.873 1.00 0.00 H new ATOM 0 HA ASP A 57 0.898 5.570 6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.495 4.502 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.258 5.727 3.476 1.00 0.00 H new ATOM 854 N TRP A 58 0.298 2.833 4.210 1.00 0.00 N ATOM 855 CA TRP A 58 -0.760 1.975 3.676 1.00 0.00 C ATOM 856 C TRP A 58 -1.805 1.604 4.751 1.00 0.00 C ATOM 857 O TRP A 58 -2.985 1.916 4.592 1.00 0.00 O ATOM 858 CB TRP A 58 -0.206 0.687 3.004 1.00 0.00 C ATOM 859 CG TRP A 58 0.488 0.847 1.658 1.00 0.00 C ATOM 860 CD1 TRP A 58 1.756 1.243 1.447 1.00 0.00 C ATOM 861 CD2 TRP A 58 -0.038 0.505 0.348 1.00 0.00 C ATOM 862 NE1 TRP A 58 2.050 1.230 0.109 1.00 0.00 N ATOM 863 CE2 TRP A 58 0.981 0.757 -0.582 1.00 0.00 C ATOM 864 CE3 TRP A 58 -1.259 0.022 -0.125 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.830 0.535 -1.941 1.00 0.00 C ATOM 866 CZ3 TRP A 58 -1.404 -0.208 -1.481 1.00 0.00 C ATOM 867 CH2 TRP A 58 -0.365 0.040 -2.375 1.00 0.00 C ATOM 0 H TRP A 58 1.243 2.493 4.034 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.254 2.566 2.905 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.498 0.222 3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.034 -0.010 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 58 2.447 1.531 2.225 1.00 0.00 H new ATOM 0 HE1 TRP A 58 2.934 1.529 -0.304 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.076 -0.169 0.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.631 0.747 -2.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -2.343 -0.588 -1.855 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.507 -0.162 -3.426 1.00 0.00 H new ATOM 878 N ASN A 59 -1.385 0.998 5.859 1.00 0.00 N ATOM 879 CA ASN A 59 -2.353 0.519 6.874 1.00 0.00 C ATOM 880 C ASN A 59 -3.231 1.644 7.429 1.00 0.00 C ATOM 881 O ASN A 59 -4.436 1.472 7.611 1.00 0.00 O ATOM 882 CB ASN A 59 -1.697 -0.272 8.007 1.00 0.00 C ATOM 883 CG ASN A 59 -1.153 -1.630 7.567 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.623 -2.230 6.587 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.211 -2.143 8.297 1.00 0.00 N ATOM 0 H ASN A 59 -0.406 0.824 6.085 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.004 -0.173 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.882 0.318 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.426 -0.422 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.164 -3.064 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.154 -1.625 9.096 1.00 0.00 H new ATOM 892 N THR A 60 -2.635 2.807 7.585 1.00 0.00 N ATOM 893 CA THR A 60 -3.370 3.940 8.119 1.00 0.00 C ATOM 894 C THR A 60 -4.358 4.466 7.071 1.00 0.00 C ATOM 895 O THR A 60 -5.492 4.849 7.393 1.00 0.00 O ATOM 896 CB THR A 60 -2.405 5.046 8.589 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.434 4.448 9.470 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.149 6.149 9.358 1.00 0.00 C ATOM 0 H THR A 60 -1.659 2.994 7.355 1.00 0.00 H new ATOM 0 HA THR A 60 -3.939 3.613 8.989 1.00 0.00 H new ATOM 0 HB THR A 60 -1.932 5.495 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.600 4.290 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.440 6.913 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.902 6.599 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.634 5.718 10.234 1.00 0.00 H new ATOM 906 N LEU A 61 -3.958 4.394 5.823 1.00 0.00 N ATOM 907 CA LEU A 61 -4.770 4.875 4.736 1.00 0.00 C ATOM 908 C LEU A 61 -6.030 4.037 4.600 1.00 0.00 C ATOM 909 O LEU A 61 -7.127 4.579 4.677 1.00 0.00 O ATOM 910 CB LEU A 61 -3.933 4.953 3.442 1.00 0.00 C ATOM 911 CG LEU A 61 -4.519 5.717 2.268 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.405 6.429 1.533 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.209 4.790 1.293 1.00 0.00 C ATOM 0 H LEU A 61 -3.062 4.001 5.536 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.107 5.890 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.973 5.405 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.730 3.934 3.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.249 6.425 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.820 6.979 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.908 7.124 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.683 5.698 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.617 5.370 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.491 4.066 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.018 4.265 1.801 1.00 0.00 H new ATOM 925 N VAL A 62 -5.874 2.714 4.496 1.00 0.00 N ATOM 926 CA VAL A 62 -7.030 1.821 4.346 1.00 0.00 C ATOM 927 C VAL A 62 -8.013 1.962 5.496 1.00 0.00 C ATOM 928 O VAL A 62 -9.208 2.133 5.290 1.00 0.00 O ATOM 929 CB VAL A 62 -6.624 0.317 4.178 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.661 -0.133 5.242 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.833 -0.577 4.198 1.00 0.00 C ATOM 0 H VAL A 62 -4.971 2.241 4.512 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.519 2.138 3.425 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.130 0.240 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.409 -1.182 5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.754 0.470 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.121 -0.014 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.520 -1.614 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.355 -0.462 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.501 -0.304 3.381 1.00 0.00 H new ATOM 941 N ARG A 63 -7.472 1.941 6.677 1.00 0.00 N ATOM 942 CA ARG A 63 -8.286 1.968 7.901 1.00 0.00 C ATOM 943 C ARG A 63 -9.048 3.276 8.097 1.00 0.00 C ATOM 944 O ARG A 63 -10.024 3.326 8.832 1.00 0.00 O ATOM 945 CB ARG A 63 -7.471 1.656 9.147 1.00 0.00 C ATOM 946 CG ARG A 63 -6.452 2.704 9.503 1.00 0.00 C ATOM 947 CD ARG A 63 -5.597 2.283 10.671 1.00 0.00 C ATOM 948 NE ARG A 63 -6.348 2.134 11.917 1.00 0.00 N ATOM 949 CZ ARG A 63 -5.799 1.857 13.106 1.00 0.00 C ATOM 950 NH1 ARG A 63 -4.498 1.659 13.203 1.00 0.00 N ATOM 951 NH2 ARG A 63 -6.558 1.787 14.190 1.00 0.00 N ATOM 0 H ARG A 63 -6.466 1.905 6.841 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.023 1.177 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.152 1.528 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.960 0.704 9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.816 2.900 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.960 3.638 9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.111 1.337 10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.807 3.020 10.818 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.361 2.249 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.910 1.717 12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.080 1.448 14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.563 1.944 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.137 1.576 15.095 1.00 0.00 H new ATOM 965 N ALA A 64 -8.611 4.323 7.457 1.00 0.00 N ATOM 966 CA ALA A 64 -9.328 5.573 7.560 1.00 0.00 C ATOM 967 C ALA A 64 -10.303 5.757 6.375 1.00 0.00 C ATOM 968 O ALA A 64 -11.498 6.014 6.569 1.00 0.00 O ATOM 969 CB ALA A 64 -8.347 6.736 7.657 1.00 0.00 C ATOM 0 H ALA A 64 -7.779 4.344 6.868 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.927 5.553 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.899 7.672 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.720 6.611 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.719 6.758 6.766 1.00 0.00 H new ATOM 975 N VAL A 65 -9.736 5.679 5.200 1.00 0.00 N ATOM 976 CA VAL A 65 -10.520 5.879 3.961 1.00 0.00 C ATOM 977 C VAL A 65 -11.810 5.033 3.903 1.00 0.00 C ATOM 978 O VAL A 65 -12.872 5.561 3.628 1.00 0.00 O ATOM 979 CB VAL A 65 -9.702 5.731 2.637 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.529 6.669 2.641 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.245 4.305 2.374 1.00 0.00 C ATOM 0 H VAL A 65 -8.746 5.482 5.051 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.813 6.927 4.025 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.375 5.995 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.969 6.555 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.885 7.696 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.881 6.438 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.683 4.269 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.609 3.970 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.115 3.652 2.299 1.00 0.00 H new ATOM 991 N LEU A 66 -11.742 3.767 4.230 1.00 0.00 N ATOM 992 CA LEU A 66 -12.922 2.951 4.152 1.00 0.00 C ATOM 993 C LEU A 66 -13.235 2.432 5.537 1.00 0.00 C ATOM 994 O LEU A 66 -12.469 2.664 6.485 1.00 0.00 O ATOM 995 CB LEU A 66 -12.800 1.822 3.081 1.00 0.00 C ATOM 996 CG LEU A 66 -13.888 1.826 1.951 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.587 0.862 0.844 1.00 0.00 C ATOM 998 CD2 LEU A 66 -15.290 1.581 2.515 1.00 0.00 C ATOM 0 H LEU A 66 -10.899 3.288 4.547 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.761 3.555 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.818 1.897 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.838 0.859 3.591 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.862 2.825 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.376 0.912 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.633 1.121 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.533 -0.149 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.016 1.591 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.317 0.612 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.536 2.365 3.231 1.00 0.00 H new ATOM 1010 N SER A 67 -14.347 1.800 5.684 1.00 0.00 N ATOM 1011 CA SER A 67 -14.775 1.348 6.967 1.00 0.00 C ATOM 1012 C SER A 67 -15.519 0.006 6.860 1.00 0.00 C ATOM 1013 O SER A 67 -16.521 -0.115 6.149 1.00 0.00 O ATOM 1014 CB SER A 67 -15.677 2.428 7.581 1.00 0.00 C ATOM 1015 OG SER A 67 -14.980 3.679 7.655 1.00 0.00 O ATOM 0 H SER A 67 -14.987 1.581 4.921 1.00 0.00 H new ATOM 0 HA SER A 67 -13.908 1.182 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.579 2.542 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.995 2.122 8.578 1.00 0.00 H new ATOM 0 HG SER A 67 -15.568 4.358 8.047 1.00 0.00 H new ATOM 1021 N GLY A 68 -14.977 -1.003 7.500 1.00 0.00 N ATOM 1022 CA GLY A 68 -15.626 -2.291 7.607 1.00 0.00 C ATOM 1023 C GLY A 68 -15.227 -3.273 6.527 1.00 0.00 C ATOM 1024 O GLY A 68 -14.477 -4.223 6.784 1.00 0.00 O ATOM 0 H GLY A 68 -14.070 -0.955 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.394 -2.723 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.706 -2.146 7.571 1.00 0.00 H new ATOM 1028 N GLY A 69 -15.704 -3.039 5.329 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.498 -3.976 4.233 1.00 0.00 C ATOM 1030 C GLY A 69 -14.062 -4.053 3.780 1.00 0.00 C ATOM 1031 O GLY A 69 -13.601 -5.117 3.338 1.00 0.00 O ATOM 0 H GLY A 69 -16.240 -2.208 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.828 -4.967 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.123 -3.682 3.390 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.358 -2.933 3.887 1.00 0.00 N ATOM 1036 CA ASP A 70 -11.947 -2.828 3.504 1.00 0.00 C ATOM 1037 C ASP A 70 -11.118 -3.951 4.076 1.00 0.00 C ATOM 1038 O ASP A 70 -10.490 -4.683 3.326 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.348 -1.473 3.920 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.536 -1.154 5.394 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.652 -0.802 5.783 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.579 -1.297 6.193 1.00 0.00 O ATOM 0 H ASP A 70 -13.750 -2.062 4.245 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.919 -2.905 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.283 -1.469 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.806 -0.684 3.324 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.173 -4.128 5.377 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.373 -5.125 6.047 1.00 0.00 C ATOM 1049 C HIS A 71 -10.588 -6.510 5.442 1.00 0.00 C ATOM 1050 O HIS A 71 -9.642 -7.132 4.977 1.00 0.00 O ATOM 1051 CB HIS A 71 -10.627 -5.131 7.556 1.00 0.00 C ATOM 1052 CG HIS A 71 -9.744 -6.075 8.326 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.232 -7.044 9.169 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -8.386 -6.182 8.380 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -9.228 -7.709 9.702 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.096 -7.211 9.245 1.00 0.00 N ATOM 0 H HIS A 71 -11.773 -3.585 5.998 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.327 -4.857 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.484 -4.121 7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.669 -5.396 7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.672 -5.573 7.844 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.317 -8.529 10.400 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.161 -7.535 9.492 1.00 0.00 H new ATOM 1065 N LEU A 72 -11.826 -6.943 5.361 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.097 -8.264 4.875 1.00 0.00 C ATOM 1067 C LEU A 72 -11.566 -8.526 3.441 1.00 0.00 C ATOM 1068 O LEU A 72 -10.726 -9.399 3.255 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.549 -8.772 5.205 1.00 0.00 C ATOM 1070 CG LEU A 72 -14.760 -7.882 4.846 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.065 -7.913 3.374 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -15.985 -8.296 5.654 1.00 0.00 C ATOM 0 H LEU A 72 -12.649 -6.401 5.624 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.480 -8.941 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.684 -9.729 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.592 -8.968 6.276 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.497 -6.856 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.923 -7.274 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.201 -7.553 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.292 -8.935 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.828 -7.659 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.232 -9.335 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.772 -8.191 6.718 1.00 0.00 H new ATOM 1084 N LEU A 73 -11.930 -7.743 2.465 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.402 -8.028 1.131 1.00 0.00 C ATOM 1086 C LEU A 73 -10.091 -7.366 0.810 1.00 0.00 C ATOM 1087 O LEU A 73 -9.127 -8.075 0.519 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.392 -7.896 0.021 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.094 -9.211 -0.411 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.106 -10.241 -0.927 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -13.928 -9.798 0.702 1.00 0.00 C ATOM 0 H LEU A 73 -12.555 -6.941 2.542 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.178 -9.093 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.156 -7.180 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.884 -7.474 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.762 -8.944 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.641 -11.145 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.578 -9.838 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.388 -10.481 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.401 -10.717 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.290 -10.018 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.696 -9.083 0.997 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.039 -6.015 0.885 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.798 -5.261 0.626 1.00 0.00 C ATOM 1105 C TRP A 74 -7.641 -5.877 1.439 1.00 0.00 C ATOM 1106 O TRP A 74 -6.544 -6.084 0.971 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.902 -3.743 1.064 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.710 -2.681 0.245 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.740 -2.819 -0.662 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.451 -1.261 0.300 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.160 -1.562 -1.106 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.387 -0.595 -0.506 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.520 -0.526 0.977 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.417 0.816 -0.627 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.521 0.890 0.874 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.483 1.541 0.076 1.00 0.00 C ATOM 0 H TRP A 74 -10.841 -5.431 1.122 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.626 -5.314 -0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.315 -3.738 2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.881 -3.369 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.161 -3.761 -0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.917 -1.390 -1.768 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.783 -1.022 1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.149 1.307 -1.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.783 1.470 1.408 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.487 2.619 0.016 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.912 -6.157 2.645 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.883 -6.562 3.564 1.00 0.00 C ATOM 1129 C LYS A 75 -6.551 -8.023 3.642 1.00 0.00 C ATOM 1130 O LYS A 75 -5.377 -8.348 3.742 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.980 -5.857 4.878 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.071 -4.379 4.674 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.782 -3.797 4.127 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.776 -3.610 5.277 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.506 -2.979 4.865 1.00 0.00 N ATOM 0 H LYS A 75 -8.849 -6.119 3.046 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.971 -6.203 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.856 -6.209 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.109 -6.093 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.888 -4.158 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.312 -3.897 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.365 -4.459 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.979 -2.841 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.237 -3.001 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.560 -4.582 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.071 -2.507 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.859 -3.707 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.692 -2.278 4.120 1.00 0.00 H new ATOM 1149 N SER A 76 -7.537 -8.926 3.593 1.00 0.00 N ATOM 1150 CA SER A 76 -7.176 -10.345 3.646 1.00 0.00 C ATOM 1151 C SER A 76 -6.342 -10.672 2.423 1.00 0.00 C ATOM 1152 O SER A 76 -5.337 -11.387 2.513 1.00 0.00 O ATOM 1153 CB SER A 76 -8.398 -11.252 3.708 1.00 0.00 C ATOM 1154 OG SER A 76 -9.275 -10.867 4.769 1.00 0.00 O ATOM 0 H SER A 76 -8.533 -8.718 3.521 1.00 0.00 H new ATOM 0 HA SER A 76 -6.608 -10.524 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.932 -11.212 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.081 -12.285 3.852 1.00 0.00 H new ATOM 0 HG SER A 76 -9.737 -10.037 4.527 1.00 0.00 H new ATOM 1160 N GLU A 77 -6.705 -10.049 1.305 1.00 0.00 N ATOM 1161 CA GLU A 77 -5.985 -10.231 0.092 1.00 0.00 C ATOM 1162 C GLU A 77 -4.667 -9.476 0.129 1.00 0.00 C ATOM 1163 O GLU A 77 -3.753 -9.845 -0.575 1.00 0.00 O ATOM 1164 CB GLU A 77 -6.807 -9.805 -1.108 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.101 -10.576 -1.287 1.00 0.00 C ATOM 1166 CD GLU A 77 -7.863 -12.046 -1.502 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -7.515 -12.429 -2.627 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -8.013 -12.840 -0.564 1.00 0.00 O ATOM 0 H GLU A 77 -7.501 -9.415 1.235 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.772 -11.295 -0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.040 -8.744 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.202 -9.921 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.729 -10.437 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.649 -10.170 -2.138 1.00 0.00 H new ATOM 1175 N PHE A 78 -4.562 -8.399 0.944 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.298 -7.674 1.076 1.00 0.00 C ATOM 1177 C PHE A 78 -2.236 -8.624 1.557 1.00 0.00 C ATOM 1178 O PHE A 78 -1.161 -8.731 0.971 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.442 -6.486 2.056 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.152 -5.781 2.379 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.494 -5.025 1.424 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.602 -5.872 3.654 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.312 -4.377 1.735 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.426 -5.229 3.969 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.220 -4.481 3.009 1.00 0.00 C ATOM 0 H PHE A 78 -5.328 -8.027 1.506 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.016 -7.270 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.139 -5.764 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.885 -6.849 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.906 -4.941 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.106 -6.457 4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.196 -3.790 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.012 -5.310 4.963 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.143 -3.975 3.251 1.00 0.00 H new ATOM 1195 N PHE A 79 -2.579 -9.330 2.583 1.00 0.00 N ATOM 1196 CA PHE A 79 -1.718 -10.293 3.181 1.00 0.00 C ATOM 1197 C PHE A 79 -1.457 -11.468 2.244 1.00 0.00 C ATOM 1198 O PHE A 79 -0.309 -11.851 2.046 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.306 -10.744 4.506 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.266 -9.673 5.564 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -1.096 -9.379 6.225 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -3.391 -8.955 5.875 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.047 -8.381 7.174 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.360 -7.959 6.823 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.184 -7.673 7.476 1.00 0.00 C ATOM 0 H PHE A 79 -3.488 -9.251 3.039 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.749 -9.832 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.339 -11.055 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.759 -11.618 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.201 -9.939 5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.318 -9.175 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.118 -8.157 7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.257 -7.403 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.155 -6.894 8.224 1.00 0.00 H new ATOM 1215 N GLU A 80 -2.517 -11.999 1.636 1.00 0.00 N ATOM 1216 CA GLU A 80 -2.397 -13.148 0.741 1.00 0.00 C ATOM 1217 C GLU A 80 -1.567 -12.853 -0.503 1.00 0.00 C ATOM 1218 O GLU A 80 -0.625 -13.584 -0.793 1.00 0.00 O ATOM 1219 CB GLU A 80 -3.750 -13.682 0.323 1.00 0.00 C ATOM 1220 CG GLU A 80 -4.575 -14.199 1.474 1.00 0.00 C ATOM 1221 CD GLU A 80 -3.881 -15.270 2.276 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -3.741 -16.410 1.785 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -3.500 -15.008 3.438 1.00 0.00 O ATOM 0 H GLU A 80 -3.469 -11.651 1.747 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.874 -13.907 1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.303 -12.891 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.607 -14.485 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.826 -13.368 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.514 -14.596 1.089 1.00 0.00 H new ATOM 1230 N ASN A 81 -1.902 -11.779 -1.221 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.220 -11.428 -2.498 1.00 0.00 C ATOM 1232 C ASN A 81 0.233 -11.109 -2.286 1.00 0.00 C ATOM 1233 O ASN A 81 1.097 -11.583 -3.043 1.00 0.00 O ATOM 1234 CB ASN A 81 -1.843 -10.225 -3.239 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.265 -10.407 -3.703 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -3.715 -11.513 -3.978 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.967 -9.320 -3.849 1.00 0.00 N ATOM 0 H ASN A 81 -2.640 -11.128 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.345 -12.321 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.803 -9.357 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.224 -9.996 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.922 -9.374 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.561 -8.415 -3.610 1.00 0.00 H new ATOM 1244 N CYS A 82 0.525 -10.303 -1.271 1.00 0.00 N ATOM 1245 CA CYS A 82 1.897 -9.916 -1.010 1.00 0.00 C ATOM 1246 C CYS A 82 2.746 -11.129 -0.681 1.00 0.00 C ATOM 1247 O CYS A 82 3.803 -11.325 -1.249 1.00 0.00 O ATOM 1248 CB CYS A 82 1.975 -8.883 0.111 1.00 0.00 C ATOM 1249 SG CYS A 82 1.085 -7.356 -0.242 1.00 0.00 S ATOM 0 H CYS A 82 -0.162 -9.912 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 82 2.292 -9.457 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.576 -9.322 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.022 -8.646 0.302 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.140 -7.460 0.181 1.00 0.00 H new ATOM 1255 N ARG A 83 2.241 -11.978 0.166 1.00 0.00 N ATOM 1256 CA ARG A 83 2.973 -13.146 0.593 1.00 0.00 C ATOM 1257 C ARG A 83 3.007 -14.207 -0.476 1.00 0.00 C ATOM 1258 O ARG A 83 3.883 -15.039 -0.487 1.00 0.00 O ATOM 1259 CB ARG A 83 2.423 -13.651 1.896 1.00 0.00 C ATOM 1260 CG ARG A 83 2.648 -12.659 3.012 1.00 0.00 C ATOM 1261 CD ARG A 83 2.004 -13.086 4.295 1.00 0.00 C ATOM 1262 NE ARG A 83 2.223 -12.079 5.323 1.00 0.00 N ATOM 1263 CZ ARG A 83 1.420 -11.869 6.366 1.00 0.00 C ATOM 1264 NH1 ARG A 83 0.275 -12.527 6.460 1.00 0.00 N ATOM 1265 NH2 ARG A 83 1.755 -10.986 7.291 1.00 0.00 N ATOM 0 H ARG A 83 1.314 -11.886 0.582 1.00 0.00 H new ATOM 0 HA ARG A 83 4.012 -12.864 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.356 -13.846 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.897 -14.599 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.719 -12.532 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.252 -11.687 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.935 -13.235 4.143 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.416 -14.042 4.618 1.00 0.00 H new ATOM 0 HE ARG A 83 3.052 -11.491 5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.009 -13.193 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.341 -12.368 7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.628 -10.465 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.140 -10.825 8.089 1.00 0.00 H new ATOM 1279 N ASP A 84 2.045 -14.171 -1.375 1.00 0.00 N ATOM 1280 CA ASP A 84 2.017 -15.091 -2.512 1.00 0.00 C ATOM 1281 C ASP A 84 3.159 -14.757 -3.396 1.00 0.00 C ATOM 1282 O ASP A 84 3.945 -15.611 -3.813 1.00 0.00 O ATOM 1283 CB ASP A 84 0.764 -14.897 -3.326 1.00 0.00 C ATOM 1284 CG ASP A 84 0.548 -16.030 -4.298 1.00 0.00 C ATOM 1285 OD1 ASP A 84 1.046 -15.967 -5.430 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.125 -17.035 -3.922 1.00 0.00 O ATOM 0 H ASP A 84 1.265 -13.514 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 84 2.061 -16.114 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.095 -14.821 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.827 -13.956 -3.872 1.00 0.00 H new ATOM 1291 N THR A 85 3.257 -13.493 -3.641 1.00 0.00 N ATOM 1292 CA THR A 85 4.264 -12.929 -4.440 1.00 0.00 C ATOM 1293 C THR A 85 5.621 -13.099 -3.753 1.00 0.00 C ATOM 1294 O THR A 85 6.631 -13.370 -4.395 1.00 0.00 O ATOM 1295 CB THR A 85 3.877 -11.462 -4.670 1.00 0.00 C ATOM 1296 OG1 THR A 85 2.614 -11.426 -5.375 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.929 -10.671 -5.414 1.00 0.00 C ATOM 0 H THR A 85 2.603 -12.805 -3.268 1.00 0.00 H new ATOM 0 HA THR A 85 4.356 -13.423 -5.407 1.00 0.00 H new ATOM 0 HB THR A 85 3.789 -10.983 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.878 -11.473 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.589 -9.643 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.859 -10.678 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.098 -11.121 -6.392 1.00 0.00 H new ATOM 1305 N ALA A 86 5.611 -13.045 -2.447 1.00 0.00 N ATOM 1306 CA ALA A 86 6.809 -13.231 -1.681 1.00 0.00 C ATOM 1307 C ALA A 86 7.272 -14.674 -1.721 1.00 0.00 C ATOM 1308 O ALA A 86 8.451 -14.921 -1.907 1.00 0.00 O ATOM 1309 CB ALA A 86 6.653 -12.750 -0.263 1.00 0.00 C ATOM 0 H ALA A 86 4.775 -12.872 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 86 7.581 -12.618 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.584 -12.910 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.412 -11.687 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.850 -13.304 0.223 1.00 0.00 H new ATOM 1315 N LYS A 87 6.344 -15.635 -1.555 1.00 0.00 N ATOM 1316 CA LYS A 87 6.694 -17.049 -1.630 1.00 0.00 C ATOM 1317 C LYS A 87 7.184 -17.393 -3.026 1.00 0.00 C ATOM 1318 O LYS A 87 8.104 -18.188 -3.187 1.00 0.00 O ATOM 1319 CB LYS A 87 5.568 -18.025 -1.140 1.00 0.00 C ATOM 1320 CG LYS A 87 4.236 -17.967 -1.889 1.00 0.00 C ATOM 1321 CD LYS A 87 3.358 -19.173 -1.564 1.00 0.00 C ATOM 1322 CE LYS A 87 2.007 -19.143 -2.297 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.034 -18.205 -1.687 1.00 0.00 N ATOM 0 H LYS A 87 5.358 -15.452 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 87 7.506 -17.203 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.950 -19.044 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.375 -17.821 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.709 -17.050 -1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.422 -17.930 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.890 -20.086 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.182 -19.209 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.171 -18.861 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.581 -20.146 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.279 -18.745 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.519 -17.608 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.621 -17.603 -2.428 1.00 0.00 H new ATOM 1337 N ARG A 88 6.592 -16.746 -4.034 1.00 0.00 N ATOM 1338 CA ARG A 88 7.071 -16.879 -5.403 1.00 0.00 C ATOM 1339 C ARG A 88 8.474 -16.334 -5.527 1.00 0.00 C ATOM 1340 O ARG A 88 9.335 -16.967 -6.118 1.00 0.00 O ATOM 1341 CB ARG A 88 6.145 -16.209 -6.417 1.00 0.00 C ATOM 1342 CG ARG A 88 5.166 -17.158 -7.052 1.00 0.00 C ATOM 1343 CD ARG A 88 4.203 -17.750 -6.056 1.00 0.00 C ATOM 1344 NE ARG A 88 3.625 -18.980 -6.566 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.345 -19.225 -6.790 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.420 -18.320 -6.524 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.990 -20.399 -7.284 1.00 0.00 N ATOM 0 H ARG A 88 5.786 -16.130 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 88 7.078 -17.944 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.595 -15.409 -5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.748 -15.745 -7.197 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.606 -16.632 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.713 -17.962 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.720 -17.948 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.411 -17.033 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 88 4.276 -19.737 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.688 -17.414 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.437 -18.527 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.700 -21.102 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.006 -20.601 -7.462 1.00 0.00 H new ATOM 1361 N ASN A 89 8.711 -15.194 -4.924 1.00 0.00 N ATOM 1362 CA ASN A 89 10.014 -14.562 -4.947 1.00 0.00 C ATOM 1363 C ASN A 89 11.046 -15.408 -4.210 1.00 0.00 C ATOM 1364 O ASN A 89 12.208 -15.397 -4.570 1.00 0.00 O ATOM 1365 CB ASN A 89 9.950 -13.136 -4.359 1.00 0.00 C ATOM 1366 CG ASN A 89 9.370 -12.094 -5.303 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.669 -10.856 -5.035 1.00 0.00 O flip ATOM 1368 ND2 ASN A 89 8.651 -12.404 -6.250 1.00 0.00 N flip ATOM 0 H ASN A 89 8.006 -14.675 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 89 10.326 -14.482 -5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.351 -13.158 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.956 -12.829 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.438 -13.385 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.267 -11.680 -6.857 1.00 0.00 H new ATOM 1375 N GLN A 90 10.612 -16.171 -3.207 1.00 0.00 N ATOM 1376 CA GLN A 90 11.531 -17.013 -2.459 1.00 0.00 C ATOM 1377 C GLN A 90 11.862 -18.271 -3.235 1.00 0.00 C ATOM 1378 O GLN A 90 13.026 -18.598 -3.389 1.00 0.00 O ATOM 1379 CB GLN A 90 11.001 -17.389 -1.056 1.00 0.00 C ATOM 1380 CG GLN A 90 10.545 -16.220 -0.181 1.00 0.00 C ATOM 1381 CD GLN A 90 11.489 -15.049 -0.206 1.00 0.00 C ATOM 1382 OE1 GLN A 90 12.430 -14.976 0.567 1.00 0.00 O ATOM 1383 NE2 GLN A 90 11.181 -14.081 -1.041 1.00 0.00 N ATOM 0 H GLN A 90 9.641 -16.220 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 90 12.436 -16.422 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.163 -18.076 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.784 -17.931 -0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.561 -15.890 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.435 -16.567 0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.385 -14.184 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.738 -13.227 -1.059 1.00 0.00 H new ATOM 1392 N GLN A 91 10.848 -18.958 -3.751 1.00 0.00 N ATOM 1393 CA GLN A 91 11.075 -20.200 -4.488 1.00 0.00 C ATOM 1394 C GLN A 91 11.764 -19.945 -5.841 1.00 0.00 C ATOM 1395 O GLN A 91 12.533 -20.774 -6.305 1.00 0.00 O ATOM 1396 CB GLN A 91 9.770 -21.008 -4.655 1.00 0.00 C ATOM 1397 CG GLN A 91 8.659 -20.289 -5.400 1.00 0.00 C ATOM 1398 CD GLN A 91 7.402 -21.127 -5.539 1.00 0.00 C ATOM 1399 OE1 GLN A 91 7.240 -21.871 -6.513 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.507 -21.033 -4.575 1.00 0.00 N ATOM 0 H GLN A 91 9.869 -18.681 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 91 11.757 -20.807 -3.892 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.999 -21.934 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.403 -21.285 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.417 -19.364 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.015 -20.010 -6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.672 -20.409 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.650 -21.584 -4.619 1.00 0.00 H new ATOM 1409 N ALA A 92 11.498 -18.785 -6.453 1.00 0.00 N ATOM 1410 CA ALA A 92 12.177 -18.419 -7.712 1.00 0.00 C ATOM 1411 C ALA A 92 13.566 -17.894 -7.411 1.00 0.00 C ATOM 1412 O ALA A 92 14.422 -17.790 -8.303 1.00 0.00 O ATOM 1413 CB ALA A 92 11.394 -17.375 -8.495 1.00 0.00 C ATOM 0 H ALA A 92 10.832 -18.093 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 92 12.243 -19.317 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.928 -17.134 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.408 -17.769 -8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.285 -16.474 -7.892 1.00 0.00 H new ATOM 1419 N GLY A 93 13.778 -17.555 -6.148 1.00 0.00 N ATOM 1420 CA GLY A 93 15.044 -17.052 -5.689 1.00 0.00 C ATOM 1421 C GLY A 93 15.348 -15.677 -6.218 1.00 0.00 C ATOM 1422 O GLY A 93 16.374 -15.452 -6.835 1.00 0.00 O ATOM 0 H GLY A 93 13.069 -17.625 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.047 -17.027 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.835 -17.737 -5.994 1.00 0.00 H new ATOM 1426 N ASN A 94 14.414 -14.783 -6.039 1.00 0.00 N ATOM 1427 CA ASN A 94 14.603 -13.378 -6.389 1.00 0.00 C ATOM 1428 C ASN A 94 15.234 -12.705 -5.204 1.00 0.00 C ATOM 1429 O ASN A 94 15.114 -13.211 -4.088 1.00 0.00 O ATOM 1430 CB ASN A 94 13.262 -12.689 -6.707 1.00 0.00 C ATOM 1431 CG ASN A 94 12.547 -13.260 -7.908 1.00 0.00 C ATOM 1432 OD1 ASN A 94 11.229 -13.182 -7.913 1.00 0.00 O flip ATOM 1433 ND2 ASN A 94 13.166 -13.759 -8.835 1.00 0.00 N flip ATOM 0 H ASN A 94 13.496 -14.995 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 94 15.230 -13.306 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.610 -12.768 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.442 -11.627 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.184 -13.805 -8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.665 -14.130 -9.642 1.00 0.00 H new ATOM 1440 N GLY A 95 15.856 -11.562 -5.404 1.00 0.00 N ATOM 1441 CA GLY A 95 16.541 -10.869 -4.314 1.00 0.00 C ATOM 1442 C GLY A 95 15.597 -10.107 -3.400 1.00 0.00 C ATOM 1443 O GLY A 95 15.874 -8.974 -3.024 1.00 0.00 O ATOM 0 H GLY A 95 15.906 -11.088 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.099 -11.596 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.268 -10.174 -4.734 1.00 0.00 H new ATOM 1447 N TRP A 96 14.504 -10.742 -3.027 1.00 0.00 N ATOM 1448 CA TRP A 96 13.485 -10.165 -2.170 1.00 0.00 C ATOM 1449 C TRP A 96 13.093 -11.142 -1.158 1.00 0.00 C ATOM 1450 O TRP A 96 13.444 -12.311 -1.262 1.00 0.00 O ATOM 1451 CB TRP A 96 12.269 -9.704 -2.945 1.00 0.00 C ATOM 1452 CG TRP A 96 12.633 -8.611 -3.820 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.122 -7.420 -3.417 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.584 -8.584 -5.235 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.409 -6.663 -4.485 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.077 -7.346 -5.623 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.178 -9.487 -6.217 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.179 -6.980 -6.943 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.276 -9.112 -7.540 1.00 0.00 C ATOM 1460 CH2 TRP A 96 12.779 -7.858 -7.884 1.00 0.00 C ATOM 0 H TRP A 96 14.294 -11.697 -3.318 1.00 0.00 H new ATOM 0 HA TRP A 96 13.913 -9.282 -1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.863 -10.530 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.486 -9.386 -2.256 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.261 -7.122 -2.388 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.811 -5.726 -4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.795 -10.460 -5.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 13.570 -6.012 -7.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.961 -9.794 -8.315 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.850 -7.584 -8.926 1.00 0.00 H new ATOM 1471 N ASP A 97 12.318 -10.722 -0.219 1.00 0.00 N ATOM 1472 CA ASP A 97 12.013 -11.600 0.879 1.00 0.00 C ATOM 1473 C ASP A 97 10.657 -11.280 1.437 1.00 0.00 C ATOM 1474 O ASP A 97 10.222 -10.137 1.411 1.00 0.00 O ATOM 1475 CB ASP A 97 13.114 -11.503 1.974 1.00 0.00 C ATOM 1476 CG ASP A 97 12.967 -12.506 3.104 1.00 0.00 C ATOM 1477 OD1 ASP A 97 12.005 -12.418 3.852 1.00 0.00 O ATOM 1478 OD2 ASP A 97 13.822 -13.401 3.257 1.00 0.00 O ATOM 0 H ASP A 97 11.887 -9.798 -0.179 1.00 0.00 H new ATOM 0 HA ASP A 97 11.994 -12.628 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.088 -11.643 1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.104 -10.497 2.394 1.00 0.00 H new ATOM 1483 N PHE A 98 9.993 -12.305 1.869 1.00 0.00 N ATOM 1484 CA PHE A 98 8.709 -12.283 2.527 1.00 0.00 C ATOM 1485 C PHE A 98 8.638 -11.335 3.774 1.00 0.00 C ATOM 1486 O PHE A 98 7.549 -10.920 4.150 1.00 0.00 O ATOM 1487 CB PHE A 98 8.340 -13.782 2.776 1.00 0.00 C ATOM 1488 CG PHE A 98 7.285 -14.141 3.784 1.00 0.00 C ATOM 1489 CD1 PHE A 98 7.562 -14.124 5.140 1.00 0.00 C ATOM 1490 CD2 PHE A 98 6.038 -14.563 3.368 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.612 -14.509 6.058 1.00 0.00 C ATOM 1492 CE2 PHE A 98 5.085 -14.942 4.286 1.00 0.00 C ATOM 1493 CZ PHE A 98 5.375 -14.917 5.632 1.00 0.00 C ATOM 0 H PHE A 98 10.355 -13.253 1.767 1.00 0.00 H new ATOM 0 HA PHE A 98 7.946 -11.820 1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.030 -14.202 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.255 -14.296 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.536 -13.805 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.808 -14.596 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.841 -14.490 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.109 -15.259 3.950 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.628 -15.219 6.351 1.00 0.00 H new ATOM 1503 N ASP A 99 9.775 -11.012 4.396 1.00 0.00 N ATOM 1504 CA ASP A 99 9.821 -10.012 5.513 1.00 0.00 C ATOM 1505 C ASP A 99 9.993 -8.589 4.958 1.00 0.00 C ATOM 1506 O ASP A 99 9.677 -7.606 5.620 1.00 0.00 O ATOM 1507 CB ASP A 99 10.965 -10.352 6.472 1.00 0.00 C ATOM 1508 CG ASP A 99 11.002 -9.510 7.742 1.00 0.00 C ATOM 1509 OD1 ASP A 99 10.175 -9.728 8.643 1.00 0.00 O ATOM 1510 OD2 ASP A 99 11.921 -8.672 7.893 1.00 0.00 O ATOM 0 H ASP A 99 10.682 -11.416 4.161 1.00 0.00 H new ATOM 0 HA ASP A 99 8.878 -10.054 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.887 -11.403 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.911 -10.232 5.945 1.00 0.00 H new ATOM 1515 N MET A 100 10.494 -8.489 3.726 1.00 0.00 N ATOM 1516 CA MET A 100 10.688 -7.182 3.069 1.00 0.00 C ATOM 1517 C MET A 100 9.387 -6.783 2.435 1.00 0.00 C ATOM 1518 O MET A 100 8.905 -5.666 2.566 1.00 0.00 O ATOM 1519 CB MET A 100 11.717 -7.240 1.900 1.00 0.00 C ATOM 1520 CG MET A 100 13.111 -7.732 2.206 1.00 0.00 C ATOM 1521 SD MET A 100 14.019 -8.021 0.660 1.00 0.00 S ATOM 1522 CE MET A 100 15.541 -8.768 1.255 1.00 0.00 C ATOM 0 H MET A 100 10.774 -9.290 3.160 1.00 0.00 H new ATOM 0 HA MET A 100 11.043 -6.491 3.834 1.00 0.00 H new ATOM 0 HB2 MET A 100 11.301 -7.879 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.801 -6.238 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 100 13.639 -6.999 2.816 1.00 0.00 H new ATOM 0 HG3 MET A 100 13.061 -8.653 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 100 16.182 -9.012 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 100 16.058 -8.068 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 100 15.308 -9.678 1.807 1.00 0.00 H new ATOM 1532 N LEU A 101 8.840 -7.721 1.712 1.00 0.00 N ATOM 1533 CA LEU A 101 7.664 -7.511 0.965 1.00 0.00 C ATOM 1534 C LEU A 101 6.496 -7.905 1.834 1.00 0.00 C ATOM 1535 O LEU A 101 6.159 -9.079 1.902 1.00 0.00 O ATOM 1536 CB LEU A 101 7.761 -8.345 -0.353 1.00 0.00 C ATOM 1537 CG LEU A 101 6.736 -8.104 -1.485 1.00 0.00 C ATOM 1538 CD1 LEU A 101 7.188 -8.815 -2.751 1.00 0.00 C ATOM 1539 CD2 LEU A 101 5.372 -8.609 -1.108 1.00 0.00 C ATOM 0 H LEU A 101 9.218 -8.665 1.634 1.00 0.00 H new ATOM 0 HA LEU A 101 7.529 -6.469 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.754 -8.180 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.702 -9.398 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 101 6.677 -7.029 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.462 -8.641 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.160 -8.429 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.267 -9.885 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.676 -8.423 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.422 -9.680 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.027 -8.091 -0.214 1.00 0.00 H new ATOM 1551 N THR A 102 6.064 -6.934 2.643 1.00 0.00 N ATOM 1552 CA THR A 102 4.875 -6.931 3.506 1.00 0.00 C ATOM 1553 C THR A 102 5.051 -5.839 4.543 1.00 0.00 C ATOM 1554 O THR A 102 5.942 -5.007 4.408 1.00 0.00 O ATOM 1555 CB THR A 102 4.575 -8.265 4.247 1.00 0.00 C ATOM 1556 OG1 THR A 102 5.761 -8.940 4.618 1.00 0.00 O ATOM 1557 CG2 THR A 102 3.651 -9.170 3.464 1.00 0.00 C ATOM 0 H THR A 102 6.578 -6.056 2.719 1.00 0.00 H new ATOM 0 HA THR A 102 4.026 -6.769 2.842 1.00 0.00 H new ATOM 0 HB THR A 102 4.049 -7.992 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.016 -9.567 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.476 -10.086 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.702 -8.662 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.108 -9.416 2.506 1.00 0.00 H new ATOM 1565 N GLY A 103 4.171 -5.799 5.524 1.00 0.00 N ATOM 1566 CA GLY A 103 4.338 -4.850 6.596 1.00 0.00 C ATOM 1567 C GLY A 103 5.365 -5.310 7.615 1.00 0.00 C ATOM 1568 O GLY A 103 5.812 -4.520 8.458 1.00 0.00 O ATOM 0 H GLY A 103 3.351 -6.401 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.644 -3.889 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.381 -4.694 7.093 1.00 0.00 H new ATOM 1572 N SER A 104 5.646 -6.608 7.574 1.00 0.00 N ATOM 1573 CA SER A 104 6.638 -7.324 8.379 1.00 0.00 C ATOM 1574 C SER A 104 7.948 -6.547 8.613 1.00 0.00 C ATOM 1575 O SER A 104 8.393 -5.755 7.779 1.00 0.00 O ATOM 1576 CB SER A 104 6.963 -8.599 7.643 1.00 0.00 C ATOM 1577 OG SER A 104 5.761 -9.270 7.262 1.00 0.00 O ATOM 0 H SER A 104 5.155 -7.233 6.935 1.00 0.00 H new ATOM 0 HA SER A 104 6.205 -7.488 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.559 -8.375 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.566 -9.250 8.277 1.00 0.00 H new ATOM 0 HG SER A 104 5.705 -9.311 6.284 1.00 0.00 H new ATOM 1583 N GLY A 105 8.573 -6.816 9.732 1.00 0.00 N ATOM 1584 CA GLY A 105 9.770 -6.134 10.051 1.00 0.00 C ATOM 1585 C GLY A 105 10.581 -6.855 11.070 1.00 0.00 C ATOM 1586 O GLY A 105 10.681 -6.416 12.231 1.00 0.00 O ATOM 0 H GLY A 105 8.264 -7.500 10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.363 -6.003 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.529 -5.137 10.421 1.00 0.00 H new ATOM 1590 N ASN A 106 11.130 -7.970 10.690 1.00 0.00 N ATOM 1591 CA ASN A 106 11.997 -8.710 11.573 1.00 0.00 C ATOM 1592 C ASN A 106 13.454 -8.402 11.227 1.00 0.00 C ATOM 1593 O ASN A 106 14.298 -8.254 12.109 1.00 0.00 O ATOM 1594 CB ASN A 106 11.738 -10.214 11.470 1.00 0.00 C ATOM 1595 CG ASN A 106 12.532 -10.998 12.507 1.00 0.00 C ATOM 1596 OD1 ASN A 106 13.664 -11.419 12.270 1.00 0.00 O ATOM 1597 ND2 ASN A 106 11.944 -11.198 13.658 1.00 0.00 N ATOM 0 H ASN A 106 10.995 -8.393 9.772 1.00 0.00 H new ATOM 0 HA ASN A 106 11.790 -8.406 12.599 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.674 -10.409 11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 106 12.003 -10.561 10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.425 -11.717 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.005 -10.835 13.821 1.00 0.00 H new ATOM 1604 N TYR A 107 13.731 -8.300 9.948 1.00 0.00 N ATOM 1605 CA TYR A 107 15.076 -8.003 9.464 1.00 0.00 C ATOM 1606 C TYR A 107 15.031 -7.147 8.201 1.00 0.00 C ATOM 1607 O TYR A 107 16.037 -6.963 7.513 1.00 0.00 O ATOM 1608 CB TYR A 107 15.875 -9.308 9.240 1.00 0.00 C ATOM 1609 CG TYR A 107 15.151 -10.366 8.423 1.00 0.00 C ATOM 1610 CD1 TYR A 107 15.172 -10.352 7.043 1.00 0.00 C ATOM 1611 CD2 TYR A 107 14.441 -11.384 9.056 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.498 -11.318 6.309 1.00 0.00 C ATOM 1613 CE2 TYR A 107 13.771 -12.341 8.335 1.00 0.00 C ATOM 1614 CZ TYR A 107 13.808 -12.307 6.967 1.00 0.00 C ATOM 1615 OH TYR A 107 13.111 -13.247 6.250 1.00 0.00 O ATOM 0 H TYR A 107 13.038 -8.419 9.209 1.00 0.00 H new ATOM 0 HA TYR A 107 15.594 -7.423 10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 107 16.813 -9.062 8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 107 16.132 -9.731 10.211 1.00 0.00 H new ATOM 0 HD1 TYR A 107 15.721 -9.578 6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.417 -11.421 10.135 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.516 -11.292 5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.218 -13.116 8.844 1.00 0.00 H new ATOM 0 HH TYR A 107 12.678 -12.818 5.482 1.00 0.00 H new ATOM 1625 N SER A 108 13.881 -6.568 7.938 1.00 0.00 N ATOM 1626 CA SER A 108 13.685 -5.756 6.754 1.00 0.00 C ATOM 1627 C SER A 108 13.003 -4.461 7.165 1.00 0.00 C ATOM 1628 O SER A 108 13.638 -3.372 7.133 1.00 0.00 O ATOM 1629 CB SER A 108 12.839 -6.523 5.750 1.00 0.00 C ATOM 1630 OG SER A 108 13.270 -7.879 5.658 1.00 0.00 O ATOM 0 H SER A 108 13.057 -6.645 8.535 1.00 0.00 H new ATOM 0 HA SER A 108 14.641 -5.522 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.791 -6.489 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.907 -6.048 4.772 1.00 0.00 H new ATOM 0 HG SER A 108 12.918 -8.387 6.419 1.00 0.00 H new ATOM 1636 N SER A 109 11.718 -4.579 7.519 1.00 0.00 N ATOM 1637 CA SER A 109 10.944 -3.501 8.113 1.00 0.00 C ATOM 1638 C SER A 109 10.737 -2.332 7.142 1.00 0.00 C ATOM 1639 O SER A 109 10.991 -2.432 5.923 1.00 0.00 O ATOM 1640 CB SER A 109 11.686 -3.001 9.367 1.00 0.00 C ATOM 1641 OG SER A 109 11.976 -4.062 10.271 1.00 0.00 O ATOM 0 H SER A 109 11.186 -5.441 7.396 1.00 0.00 H new ATOM 0 HA SER A 109 9.958 -3.888 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.615 -2.514 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.079 -2.249 9.872 1.00 0.00 H new ATOM 0 HG SER A 109 12.448 -3.706 11.053 1.00 0.00 H new ATOM 1647 N THR A 110 10.304 -1.217 7.690 1.00 0.00 N ATOM 1648 CA THR A 110 10.119 0.009 6.968 1.00 0.00 C ATOM 1649 C THR A 110 11.465 0.503 6.366 1.00 0.00 C ATOM 1650 O THR A 110 11.479 1.227 5.367 1.00 0.00 O ATOM 1651 CB THR A 110 9.507 1.053 7.939 1.00 0.00 C ATOM 1652 OG1 THR A 110 8.313 0.489 8.500 1.00 0.00 O ATOM 1653 CG2 THR A 110 9.151 2.351 7.232 1.00 0.00 C ATOM 0 H THR A 110 10.066 -1.144 8.679 1.00 0.00 H new ATOM 0 HA THR A 110 9.440 -0.145 6.129 1.00 0.00 H new ATOM 0 HB THR A 110 10.244 1.286 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.908 1.131 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.726 3.052 7.950 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.049 2.783 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.422 2.150 6.447 1.00 0.00 H new ATOM 1661 N ASP A 111 12.567 0.042 6.950 1.00 0.00 N ATOM 1662 CA ASP A 111 13.922 0.401 6.519 1.00 0.00 C ATOM 1663 C ASP A 111 14.174 -0.067 5.095 1.00 0.00 C ATOM 1664 O ASP A 111 14.373 0.738 4.204 1.00 0.00 O ATOM 1665 CB ASP A 111 14.972 -0.227 7.453 1.00 0.00 C ATOM 1666 CG ASP A 111 14.753 0.113 8.900 1.00 0.00 C ATOM 1667 OD1 ASP A 111 15.255 1.138 9.369 1.00 0.00 O ATOM 1668 OD2 ASP A 111 14.056 -0.652 9.600 1.00 0.00 O ATOM 0 H ASP A 111 12.549 -0.598 7.744 1.00 0.00 H new ATOM 0 HA ASP A 111 14.008 1.487 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.954 -1.310 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.964 0.110 7.153 1.00 0.00 H new ATOM 1673 N ALA A 112 14.082 -1.370 4.865 1.00 0.00 N ATOM 1674 CA ALA A 112 14.355 -1.954 3.539 1.00 0.00 C ATOM 1675 C ALA A 112 13.344 -1.477 2.498 1.00 0.00 C ATOM 1676 O ALA A 112 13.578 -1.545 1.299 1.00 0.00 O ATOM 1677 CB ALA A 112 14.355 -3.466 3.634 1.00 0.00 C ATOM 0 H ALA A 112 13.820 -2.053 5.576 1.00 0.00 H new ATOM 0 HA ALA A 112 15.339 -1.617 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.557 -3.892 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.126 -3.787 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.381 -3.809 3.985 1.00 0.00 H new ATOM 1683 N GLN A 113 12.241 -0.998 2.981 1.00 0.00 N ATOM 1684 CA GLN A 113 11.201 -0.477 2.172 1.00 0.00 C ATOM 1685 C GLN A 113 11.459 0.994 1.798 1.00 0.00 C ATOM 1686 O GLN A 113 11.091 1.403 0.751 1.00 0.00 O ATOM 1687 CB GLN A 113 9.903 -0.714 2.914 1.00 0.00 C ATOM 1688 CG GLN A 113 8.615 -0.021 2.441 1.00 0.00 C ATOM 1689 CD GLN A 113 8.527 1.485 2.748 1.00 0.00 C ATOM 1690 OE1 GLN A 113 9.201 1.945 3.769 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 7.882 2.224 2.052 1.00 0.00 N flip ATOM 0 H GLN A 113 12.040 -0.961 3.980 1.00 0.00 H new ATOM 0 HA GLN A 113 11.149 -0.985 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.716 -1.788 2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.065 -0.425 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.521 -0.162 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.763 -0.520 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.361 1.852 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.856 3.223 2.255 1.00 0.00 H new ATOM 1700 N MET A 114 12.073 1.802 2.683 1.00 0.00 N ATOM 1701 CA MET A 114 12.409 3.199 2.315 1.00 0.00 C ATOM 1702 C MET A 114 13.477 3.159 1.259 1.00 0.00 C ATOM 1703 O MET A 114 13.579 4.021 0.411 1.00 0.00 O ATOM 1704 CB MET A 114 12.912 3.996 3.529 1.00 0.00 C ATOM 1705 CG MET A 114 13.277 5.455 3.215 1.00 0.00 C ATOM 1706 SD MET A 114 13.854 6.383 4.661 1.00 0.00 S ATOM 1707 CE MET A 114 12.418 6.311 5.730 1.00 0.00 C ATOM 0 H MET A 114 12.341 1.528 3.628 1.00 0.00 H new ATOM 0 HA MET A 114 11.512 3.696 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.144 3.983 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.787 3.495 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.053 5.470 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 114 12.405 5.957 2.795 1.00 0.00 H new ATOM 0 HE1 MET A 114 12.495 7.084 6.495 1.00 0.00 H new ATOM 0 HE2 MET A 114 11.516 6.473 5.139 1.00 0.00 H new ATOM 0 HE3 MET A 114 12.368 5.332 6.207 1.00 0.00 H new ATOM 1717 N GLN A 115 14.238 2.121 1.331 1.00 0.00 N ATOM 1718 CA GLN A 115 15.261 1.827 0.390 1.00 0.00 C ATOM 1719 C GLN A 115 14.757 0.757 -0.559 1.00 0.00 C ATOM 1720 O GLN A 115 15.434 -0.274 -0.769 1.00 0.00 O ATOM 1721 CB GLN A 115 16.597 1.433 1.064 1.00 0.00 C ATOM 1722 CG GLN A 115 17.425 2.619 1.586 1.00 0.00 C ATOM 1723 CD GLN A 115 16.827 3.385 2.766 1.00 0.00 C ATOM 1724 OE1 GLN A 115 17.019 4.590 2.897 1.00 0.00 O ATOM 1725 NE2 GLN A 115 16.173 2.701 3.653 1.00 0.00 N ATOM 0 H GLN A 115 14.161 1.428 2.076 1.00 0.00 H new ATOM 0 HA GLN A 115 15.488 2.730 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.385 0.761 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.199 0.874 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.408 2.250 1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.579 3.319 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.027 1.700 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.804 3.164 4.484 1.00 0.00 H new ATOM 1734 N TYR A 116 13.497 0.958 -1.041 1.00 0.00 N ATOM 1735 CA TYR A 116 12.809 0.041 -1.939 1.00 0.00 C ATOM 1736 C TYR A 116 13.724 -0.407 -3.059 1.00 0.00 C ATOM 1737 O TYR A 116 14.541 0.363 -3.568 1.00 0.00 O ATOM 1738 CB TYR A 116 11.670 0.699 -2.756 1.00 0.00 C ATOM 1739 CG TYR A 116 10.430 1.227 -2.101 1.00 0.00 C ATOM 1740 CD1 TYR A 116 9.419 0.372 -1.664 1.00 0.00 C ATOM 1741 CD2 TYR A 116 10.221 2.593 -2.008 1.00 0.00 C ATOM 1742 CE1 TYR A 116 8.238 0.876 -1.150 1.00 0.00 C ATOM 1743 CE2 TYR A 116 9.063 3.098 -1.486 1.00 0.00 C ATOM 1744 CZ TYR A 116 8.072 2.248 -1.059 1.00 0.00 C ATOM 1745 OH TYR A 116 6.896 2.775 -0.576 1.00 0.00 O ATOM 0 H TYR A 116 12.941 1.779 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 116 12.457 -0.742 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.115 1.530 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.348 -0.035 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 116 9.560 -0.697 -1.728 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.987 3.271 -2.354 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.455 0.208 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 116 8.927 4.167 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 116 6.277 2.047 -0.358 1.00 0.00 H new ATOM 1755 N ASP A 117 13.581 -1.611 -3.445 1.00 0.00 N ATOM 1756 CA ASP A 117 14.140 -2.032 -4.698 1.00 0.00 C ATOM 1757 C ASP A 117 13.033 -1.780 -5.731 1.00 0.00 C ATOM 1758 O ASP A 117 11.855 -1.911 -5.373 1.00 0.00 O ATOM 1759 CB ASP A 117 14.478 -3.515 -4.663 1.00 0.00 C ATOM 1760 CG ASP A 117 15.070 -4.010 -5.957 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.304 -4.261 -6.892 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.296 -4.164 -6.056 1.00 0.00 O ATOM 0 H ASP A 117 13.085 -2.335 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 117 15.061 -1.496 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.181 -3.704 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.575 -4.084 -4.441 1.00 0.00 H new ATOM 1767 N PRO A 118 13.349 -1.389 -6.983 1.00 0.00 N ATOM 1768 CA PRO A 118 12.331 -1.164 -8.029 1.00 0.00 C ATOM 1769 C PRO A 118 11.347 -2.342 -8.191 1.00 0.00 C ATOM 1770 O PRO A 118 10.186 -2.141 -8.527 1.00 0.00 O ATOM 1771 CB PRO A 118 13.140 -0.996 -9.303 1.00 0.00 C ATOM 1772 CG PRO A 118 14.492 -0.553 -8.856 1.00 0.00 C ATOM 1773 CD PRO A 118 14.706 -1.081 -7.470 1.00 0.00 C ATOM 0 HA PRO A 118 11.708 -0.306 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.197 -1.932 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.684 -0.259 -9.964 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.261 -0.928 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.562 0.535 -8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.337 -1.969 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.199 -0.344 -6.835 1.00 0.00 H new ATOM 1781 N GLY A 119 11.786 -3.551 -7.843 1.00 0.00 N ATOM 1782 CA GLY A 119 10.922 -4.693 -8.000 1.00 0.00 C ATOM 1783 C GLY A 119 10.100 -4.853 -6.756 1.00 0.00 C ATOM 1784 O GLY A 119 8.890 -4.996 -6.829 1.00 0.00 O ATOM 0 H GLY A 119 12.711 -3.751 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.274 -4.559 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.513 -5.591 -8.180 1.00 0.00 H new ATOM 1788 N LEU A 120 10.786 -4.793 -5.603 1.00 0.00 N ATOM 1789 CA LEU A 120 10.146 -4.798 -4.273 1.00 0.00 C ATOM 1790 C LEU A 120 8.951 -3.810 -4.260 1.00 0.00 C ATOM 1791 O LEU A 120 7.825 -4.192 -3.954 1.00 0.00 O ATOM 1792 CB LEU A 120 11.170 -4.355 -3.213 1.00 0.00 C ATOM 1793 CG LEU A 120 10.669 -4.322 -1.768 1.00 0.00 C ATOM 1794 CD1 LEU A 120 10.246 -5.710 -1.303 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.741 -3.780 -0.843 1.00 0.00 C ATOM 0 H LEU A 120 11.804 -4.739 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 120 9.790 -5.804 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.028 -5.025 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.527 -3.359 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 120 9.801 -3.663 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.894 -5.657 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.444 -6.079 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 120 11.097 -6.388 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.365 -3.765 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.623 -4.418 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 120 12.006 -2.768 -1.147 1.00 0.00 H new ATOM 1807 N PHE A 121 9.215 -2.547 -4.650 1.00 0.00 N ATOM 1808 CA PHE A 121 8.178 -1.496 -4.724 1.00 0.00 C ATOM 1809 C PHE A 121 7.029 -1.891 -5.670 1.00 0.00 C ATOM 1810 O PHE A 121 5.862 -1.896 -5.263 1.00 0.00 O ATOM 1811 CB PHE A 121 8.790 -0.150 -5.187 1.00 0.00 C ATOM 1812 CG PHE A 121 7.777 0.958 -5.470 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.124 1.606 -4.436 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.493 1.345 -6.773 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.218 2.612 -4.685 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.580 2.361 -7.028 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.944 2.990 -5.977 1.00 0.00 C ATOM 0 H PHE A 121 10.145 -2.227 -4.921 1.00 0.00 H new ATOM 0 HA PHE A 121 7.770 -1.381 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.483 0.199 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.375 -0.326 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.329 1.317 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.987 0.851 -7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.721 3.105 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.369 2.657 -8.045 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.232 3.779 -6.170 1.00 0.00 H new ATOM 1827 N ALA A 122 7.382 -2.241 -6.916 1.00 0.00 N ATOM 1828 CA ALA A 122 6.399 -2.570 -7.959 1.00 0.00 C ATOM 1829 C ALA A 122 5.472 -3.698 -7.525 1.00 0.00 C ATOM 1830 O ALA A 122 4.245 -3.624 -7.690 1.00 0.00 O ATOM 1831 CB ALA A 122 7.115 -2.975 -9.236 1.00 0.00 C ATOM 0 H ALA A 122 8.351 -2.304 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 122 5.795 -1.679 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.380 -3.217 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.741 -2.151 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.739 -3.848 -9.042 1.00 0.00 H new ATOM 1837 N GLN A 123 6.055 -4.729 -6.967 1.00 0.00 N ATOM 1838 CA GLN A 123 5.323 -5.904 -6.562 1.00 0.00 C ATOM 1839 C GLN A 123 4.393 -5.609 -5.393 1.00 0.00 C ATOM 1840 O GLN A 123 3.231 -5.991 -5.429 1.00 0.00 O ATOM 1841 CB GLN A 123 6.294 -7.041 -6.249 1.00 0.00 C ATOM 1842 CG GLN A 123 7.108 -7.443 -7.462 1.00 0.00 C ATOM 1843 CD GLN A 123 8.116 -8.528 -7.169 1.00 0.00 C ATOM 1844 OE1 GLN A 123 8.418 -9.329 -8.154 1.00 0.00 O flip ATOM 1845 NE2 GLN A 123 8.627 -8.639 -6.067 1.00 0.00 N flip ATOM 0 H GLN A 123 7.056 -4.778 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 123 4.687 -6.220 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.966 -6.734 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.736 -7.904 -5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.434 -7.785 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.629 -6.567 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.369 -7.996 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.312 -9.374 -5.894 1.00 0.00 H new ATOM 1854 N ILE A 124 4.894 -4.890 -4.389 1.00 0.00 N ATOM 1855 CA ILE A 124 4.082 -4.545 -3.201 1.00 0.00 C ATOM 1856 C ILE A 124 2.850 -3.720 -3.586 1.00 0.00 C ATOM 1857 O ILE A 124 1.712 -4.120 -3.303 1.00 0.00 O ATOM 1858 CB ILE A 124 4.899 -3.758 -2.102 1.00 0.00 C ATOM 1859 CG1 ILE A 124 6.007 -4.630 -1.537 1.00 0.00 C ATOM 1860 CG2 ILE A 124 3.990 -3.267 -0.960 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.925 -3.917 -0.571 1.00 0.00 C ATOM 0 H ILE A 124 5.849 -4.533 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 124 3.771 -5.499 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 124 5.337 -2.885 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 124 5.559 -5.485 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 124 6.601 -5.023 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.588 -2.730 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.227 -2.601 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 124 3.510 -4.122 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.687 -4.610 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 124 7.405 -3.079 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.346 -3.548 0.276 1.00 0.00 H new ATOM 1873 N GLN A 125 3.074 -2.603 -4.274 1.00 0.00 N ATOM 1874 CA GLN A 125 1.998 -1.674 -4.583 1.00 0.00 C ATOM 1875 C GLN A 125 0.938 -2.273 -5.487 1.00 0.00 C ATOM 1876 O GLN A 125 -0.265 -2.076 -5.270 1.00 0.00 O ATOM 1877 CB GLN A 125 2.530 -0.283 -5.038 1.00 0.00 C ATOM 1878 CG GLN A 125 3.401 -0.228 -6.296 1.00 0.00 C ATOM 1879 CD GLN A 125 2.631 -0.094 -7.599 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.305 -1.068 -8.266 1.00 0.00 O ATOM 1881 NE2 GLN A 125 2.307 1.118 -7.940 1.00 0.00 N ATOM 0 H GLN A 125 3.989 -2.323 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 125 1.470 -1.480 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.671 0.368 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.104 0.142 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 125 4.088 0.613 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.008 -1.132 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.596 1.906 -7.360 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.764 1.281 -8.788 1.00 0.00 H new ATOM 1890 N ALA A 126 1.360 -3.081 -6.418 1.00 0.00 N ATOM 1891 CA ALA A 126 0.435 -3.703 -7.327 1.00 0.00 C ATOM 1892 C ALA A 126 -0.387 -4.737 -6.611 1.00 0.00 C ATOM 1893 O ALA A 126 -1.616 -4.747 -6.727 1.00 0.00 O ATOM 1894 CB ALA A 126 1.157 -4.324 -8.500 1.00 0.00 C ATOM 0 H ALA A 126 2.339 -3.326 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.230 -2.930 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.432 -4.787 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.708 -3.552 -9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.853 -5.082 -8.139 1.00 0.00 H new ATOM 1900 N ALA A 127 0.274 -5.517 -5.783 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.376 -6.627 -5.094 1.00 0.00 C ATOM 1902 C ALA A 127 -1.354 -6.090 -4.086 1.00 0.00 C ATOM 1903 O ALA A 127 -2.444 -6.647 -3.871 1.00 0.00 O ATOM 1904 CB ALA A 127 0.643 -7.544 -4.426 1.00 0.00 C ATOM 0 H ALA A 127 1.265 -5.408 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.912 -7.225 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.124 -8.359 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.315 -7.953 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.220 -6.976 -3.696 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.992 -4.984 -3.509 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.798 -4.344 -2.562 1.00 0.00 C ATOM 1912 C ALA A 128 -3.040 -3.743 -3.188 1.00 0.00 C ATOM 1913 O ALA A 128 -4.046 -3.906 -2.679 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.002 -3.352 -1.786 1.00 0.00 C ATOM 0 H ALA A 128 -0.110 -4.508 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.158 -5.093 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.644 -2.863 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.187 -3.862 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.591 -2.604 -2.465 1.00 0.00 H new ATOM 1920 N THR A 129 -2.954 -3.092 -4.314 1.00 0.00 N ATOM 1921 CA THR A 129 -4.207 -2.537 -4.940 1.00 0.00 C ATOM 1922 C THR A 129 -5.186 -3.699 -5.267 1.00 0.00 C ATOM 1923 O THR A 129 -6.461 -3.635 -5.061 1.00 0.00 O ATOM 1924 CB THR A 129 -3.893 -1.746 -6.232 1.00 0.00 C ATOM 1925 OG1 THR A 129 -3.206 -2.580 -7.202 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.033 -0.543 -5.920 1.00 0.00 C ATOM 0 H THR A 129 -2.090 -2.917 -4.828 1.00 0.00 H new ATOM 0 HA THR A 129 -4.665 -1.852 -4.227 1.00 0.00 H new ATOM 0 HB THR A 129 -4.843 -1.418 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 129 -2.709 -3.283 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.822 0.002 -6.840 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.560 0.110 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.096 -0.872 -5.470 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.544 -4.796 -5.598 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.170 -6.045 -5.999 1.00 0.00 C ATOM 1936 C LYS A 130 -5.863 -6.670 -4.836 1.00 0.00 C ATOM 1937 O LYS A 130 -6.628 -7.576 -4.975 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.141 -6.984 -6.599 1.00 0.00 C ATOM 1939 CG LYS A 130 -3.757 -6.643 -8.036 1.00 0.00 C ATOM 1940 CD LYS A 130 -4.932 -6.859 -9.011 1.00 0.00 C ATOM 1941 CE LYS A 130 -4.554 -6.516 -10.446 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.467 -7.381 -10.969 1.00 0.00 N ATOM 0 H LYS A 130 -3.525 -4.849 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.917 -5.837 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.244 -6.968 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.531 -8.002 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -3.428 -5.605 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.913 -7.260 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -5.258 -7.898 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.777 -6.244 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -5.432 -6.616 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.241 -5.473 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -3.351 -7.214 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -2.578 -7.157 -10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.710 -8.379 -10.807 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.442 -6.277 -3.709 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.081 -6.538 -2.469 1.00 0.00 C ATOM 1958 C ALA A 131 -7.146 -5.486 -2.236 1.00 0.00 C ATOM 1959 O ALA A 131 -8.342 -5.801 -2.220 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.008 -6.470 -1.451 1.00 0.00 C ATOM 0 H ALA A 131 -4.588 -5.728 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.576 -7.508 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.430 -6.662 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.248 -7.219 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.555 -5.479 -1.465 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.701 -4.231 -2.220 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.451 -3.015 -1.815 1.00 0.00 C ATOM 1968 C TRP A 132 -8.562 -2.574 -2.792 1.00 0.00 C ATOM 1969 O TRP A 132 -8.844 -1.395 -2.944 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.524 -1.806 -1.518 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.535 -2.032 -0.425 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.981 -3.186 -0.157 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.993 -1.116 0.545 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.063 -3.101 0.761 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.051 -1.857 1.260 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.165 0.242 0.876 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.299 -1.324 2.249 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.413 0.749 1.876 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.494 -0.032 2.538 1.00 0.00 C ATOM 0 H TRP A 132 -5.747 -4.008 -2.506 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.944 -3.331 -0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.985 -1.547 -2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.142 -0.947 -1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.256 -4.109 -0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.449 -3.861 1.055 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.876 0.859 0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.571 -1.916 2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.535 1.784 2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.905 0.417 3.324 1.00 0.00 H new ATOM 1990 N ARG A 133 -9.100 -3.483 -3.491 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.326 -3.226 -4.240 1.00 0.00 C ATOM 1992 C ARG A 133 -11.627 -4.031 -3.822 1.00 0.00 C ATOM 1993 O ARG A 133 -12.690 -3.455 -3.773 1.00 0.00 O ATOM 1994 CB ARG A 133 -10.065 -3.224 -5.777 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.306 -3.054 -6.676 1.00 0.00 C ATOM 1996 CD ARG A 133 -12.142 -4.331 -6.755 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.566 -4.078 -7.034 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.225 -4.527 -8.115 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.564 -4.985 -9.171 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.538 -4.477 -8.151 1.00 0.00 N ATOM 0 H ARG A 133 -8.734 -4.431 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.602 -2.218 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.364 -2.421 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.575 -4.160 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.923 -2.242 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.989 -2.767 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.735 -4.976 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.054 -4.874 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 133 -14.089 -3.522 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.544 -4.999 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.076 -5.323 -9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -16.056 -4.097 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -16.039 -4.818 -8.972 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.502 -5.313 -3.508 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.654 -6.335 -3.570 1.00 0.00 C ATOM 2016 C LYS A 134 -13.971 -6.197 -2.780 1.00 0.00 C ATOM 2017 O LYS A 134 -14.469 -7.199 -2.275 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.208 -7.786 -3.587 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.819 -8.262 -4.963 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.625 -7.540 -5.483 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.435 -7.857 -4.641 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.953 -9.244 -4.875 1.00 0.00 N ATOM 0 H LYS A 134 -10.620 -5.720 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.990 -5.971 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.361 -7.909 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.013 -8.413 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.612 -9.332 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.656 -8.119 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.437 -7.828 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.808 -6.466 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -8.634 -7.151 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.690 -7.732 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.913 -9.259 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.326 -9.871 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.282 -9.574 -5.805 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.539 -5.040 -2.680 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.822 -4.896 -1.961 1.00 0.00 C ATOM 2038 C LEU A 135 -17.003 -4.849 -2.951 1.00 0.00 C ATOM 2039 O LEU A 135 -17.316 -3.809 -3.488 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.813 -3.654 -1.071 1.00 0.00 C ATOM 2041 CG LEU A 135 -15.033 -3.706 0.262 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.731 -4.476 0.155 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.705 -2.307 0.649 1.00 0.00 C ATOM 0 H LEU A 135 -14.165 -4.175 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.949 -5.769 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.410 -2.829 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.849 -3.405 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.659 -4.214 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.229 -4.478 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.939 -5.502 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.088 -4.002 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.153 -2.309 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.095 -1.848 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.626 -1.738 0.771 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.699 -5.976 -3.178 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.697 -6.075 -4.246 1.00 0.00 C ATOM 2057 C PRO A 136 -20.070 -5.509 -3.874 1.00 0.00 C ATOM 2058 O PRO A 136 -20.902 -5.257 -4.747 1.00 0.00 O ATOM 2059 CB PRO A 136 -18.788 -7.581 -4.505 1.00 0.00 C ATOM 2060 CG PRO A 136 -18.449 -8.221 -3.191 1.00 0.00 C ATOM 2061 CD PRO A 136 -17.604 -7.226 -2.405 1.00 0.00 C ATOM 0 HA PRO A 136 -18.400 -5.485 -5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -19.787 -7.865 -4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -18.093 -7.890 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.356 -8.473 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -17.902 -9.151 -3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.983 -7.096 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -16.571 -7.563 -2.319 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.296 -5.310 -2.598 1.00 0.00 N ATOM 2070 CA VAL A 137 -21.558 -4.804 -2.103 1.00 0.00 C ATOM 2071 C VAL A 137 -21.283 -3.710 -1.087 1.00 0.00 C ATOM 2072 O VAL A 137 -20.362 -3.844 -0.260 1.00 0.00 O ATOM 2073 CB VAL A 137 -22.440 -5.958 -1.493 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -21.711 -6.715 -0.394 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -23.791 -5.449 -0.999 1.00 0.00 C ATOM 0 H VAL A 137 -19.608 -5.495 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 137 -22.130 -4.385 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 137 -22.630 -6.659 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -22.357 -7.501 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -20.803 -7.161 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -21.449 -6.027 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -24.364 -6.280 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -23.636 -4.696 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -24.340 -5.007 -1.831 1.00 0.00 H new ATOM 2085 N LYS A 138 -22.043 -2.641 -1.147 1.00 0.00 N ATOM 2086 CA LYS A 138 -21.829 -1.545 -0.271 1.00 0.00 C ATOM 2087 C LYS A 138 -23.005 -1.472 0.657 1.00 0.00 C ATOM 2088 O LYS A 138 -24.102 -1.102 0.253 1.00 0.00 O ATOM 2089 CB LYS A 138 -21.691 -0.220 -1.058 1.00 0.00 C ATOM 2090 CG LYS A 138 -20.822 0.855 -0.415 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.202 1.240 0.998 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.145 2.175 1.529 1.00 0.00 C ATOM 2093 NZ LYS A 138 -20.377 2.574 2.930 1.00 0.00 N ATOM 0 H LYS A 138 -22.816 -2.520 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 138 -20.903 -1.690 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -21.283 -0.447 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -22.688 0.192 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -19.788 0.509 -0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -20.858 1.748 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -22.179 1.723 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.277 0.353 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.170 1.694 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -20.111 3.067 0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -19.619 3.216 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -21.294 3.060 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -20.382 1.728 3.535 1.00 0.00 H new ATOM 2107 N GLY A 139 -22.801 -1.908 1.859 1.00 0.00 N ATOM 2108 CA GLY A 139 -23.827 -1.802 2.860 1.00 0.00 C ATOM 2109 C GLY A 139 -23.662 -0.489 3.570 1.00 0.00 C ATOM 2110 O GLY A 139 -24.306 0.518 3.223 1.00 0.00 O ATOM 0 H GLY A 139 -21.934 -2.342 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -24.813 -1.863 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -23.753 -2.628 3.568 1.00 0.00 H new ATOM 2114 N ASP A 140 -22.785 -0.477 4.524 1.00 0.00 N ATOM 2115 CA ASP A 140 -22.405 0.737 5.201 1.00 0.00 C ATOM 2116 C ASP A 140 -21.019 0.578 5.677 1.00 0.00 C ATOM 2117 O ASP A 140 -20.124 0.909 4.923 1.00 0.00 O ATOM 2118 CB ASP A 140 -23.318 1.105 6.350 1.00 0.00 C ATOM 2119 CG ASP A 140 -22.923 2.410 6.984 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -22.785 3.428 6.271 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -22.749 2.457 8.206 1.00 0.00 O ATOM 2122 OXT ASP A 140 -20.799 0.030 6.777 1.00 0.00 O ATOM 0 H ASP A 140 -22.306 -1.311 4.862 1.00 0.00 H new ATOM 0 HA ASP A 140 -22.490 1.558 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -24.345 1.172 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -23.294 0.315 7.100 1.00 0.00 H new TER 2127 ASP A 140