USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 984 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: B 41 TYR OH : rot -121:sc= 1.31 USER MOD Set 1.2: B 74 HIS : no HD1:sc= 0.969 K(o=2.3,f=-4!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.353 K(o=1.5,f=-10!) USER MOD Set 3.1: A 24 MET CE :methyl -156:sc= -0.796 (180deg=-1.29) USER MOD Set 3.2: A 27 TYR OH : rot -154:sc= 0.179 USER MOD Set 3.3: A 60 HIS : no HE2:sc= 0.758 K(o=0.14,f=-7!) USER MOD Set 4.1: A 14 THR OG1 : rot -27:sc= 1.44 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.118 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0924 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 2.29 (180deg=2.14) USER MOD Single : A 25 GLN : amide:sc= 1.19 K(o=1.2,f=-0.071) USER MOD Single : A 26 GLN : amide:sc= 0.114! C(o=0.11!,f=-5.6!) USER MOD Single : A 28 THR OG1 : rot 97:sc= 0.608 USER MOD Single : A 30 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -168:sc= 1.27 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.779 (180deg=-0.0998) USER MOD Single : A 44 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.61) USER MOD Single : A 45 MET CE :methyl 176:sc= -0.87 (180deg=-0.946) USER MOD Single : A 46 THR OG1 : rot 31:sc= 0.0973 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.19) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -140:sc= -0.145 USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 1.24 (180deg=-0.297) USER MOD Single : A 74 GLN : amide:sc= -0.0698 K(o=-0.07,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 77 THR OG1 : rot 56:sc= 0.863 USER MOD Single : B 29 MET CE :methyl -164:sc= -0.695 (180deg=-1.39) USER MOD Single : B 30 SER OG : rot -66:sc= 1.35 USER MOD Single : B 47 HIS : no HE2:sc= 0.96 K(o=0.96,f=-3.4!) USER MOD Single : B 48 ASN : amide:sc= 0.581 K(o=0.58,f=-2.7!) USER MOD Single : B 57 SER OG : rot 58:sc= 1.07 USER MOD Single : B 60 THR OG1 : rot -64:sc= 1.32 USER MOD Single : B 70 GLN : amide:sc= 0.608 K(o=0.61,f=0) USER MOD Single : B 75 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.02) USER MOD Single : B 81 THR OG1 : rot 72:sc= 0.931 USER MOD Single : B 83 GLN : amide:sc=-0.00702 K(o=-0.007,f=-1.2!) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -171:sc= -0.0159 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.450 -6.981 8.811 1.00 0.00 N ATOM 2 CA THR A 14 -15.236 -5.772 8.490 1.00 0.00 C ATOM 3 C THR A 14 -14.388 -4.773 7.703 1.00 0.00 C ATOM 4 O THR A 14 -13.293 -5.102 7.241 1.00 0.00 O ATOM 5 CB THR A 14 -15.795 -5.093 9.765 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.783 -4.968 10.775 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.972 -5.878 10.329 1.00 0.00 C ATOM 0 HA THR A 14 -16.080 -6.090 7.879 1.00 0.00 H new ATOM 0 HB THR A 14 -16.132 -4.097 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.111 -5.671 10.653 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.346 -5.380 11.224 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.766 -5.929 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.648 -6.887 10.584 1.00 0.00 H new ATOM 15 N VAL A 15 -14.903 -3.556 7.556 1.00 0.00 N ATOM 16 CA VAL A 15 -14.209 -2.503 6.818 1.00 0.00 C ATOM 17 C VAL A 15 -12.861 -2.161 7.461 1.00 0.00 C ATOM 18 O VAL A 15 -11.898 -1.838 6.767 1.00 0.00 O ATOM 19 CB VAL A 15 -15.068 -1.220 6.724 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.481 -0.251 5.708 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.511 -1.550 6.365 1.00 0.00 C ATOM 0 H VAL A 15 -15.804 -3.272 7.940 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.034 -2.889 5.814 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.061 -0.744 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.101 0.644 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.470 0.024 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.451 -0.726 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.091 -0.629 6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.539 -2.059 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.937 -2.199 7.130 1.00 0.00 H new ATOM 31 N SER A 16 -12.792 -2.260 8.784 1.00 0.00 N ATOM 32 CA SER A 16 -11.572 -1.942 9.518 1.00 0.00 C ATOM 33 C SER A 16 -10.408 -2.856 9.127 1.00 0.00 C ATOM 34 O SER A 16 -9.324 -2.375 8.796 1.00 0.00 O ATOM 35 CB SER A 16 -11.833 -2.036 11.020 1.00 0.00 C ATOM 36 OG SER A 16 -13.212 -2.246 11.281 1.00 0.00 O ATOM 0 H SER A 16 -13.570 -2.559 9.372 1.00 0.00 H new ATOM 0 HA SER A 16 -11.285 -0.923 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.250 -2.853 11.444 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.501 -1.120 11.509 1.00 0.00 H new ATOM 0 HG SER A 16 -13.357 -2.305 12.248 1.00 0.00 H new ATOM 42 N GLU A 17 -10.632 -4.169 9.154 1.00 0.00 N ATOM 43 CA GLU A 17 -9.585 -5.131 8.817 1.00 0.00 C ATOM 44 C GLU A 17 -9.153 -4.990 7.364 1.00 0.00 C ATOM 45 O GLU A 17 -7.987 -5.201 7.034 1.00 0.00 O ATOM 46 CB GLU A 17 -10.045 -6.564 9.090 1.00 0.00 C ATOM 47 CG GLU A 17 -10.332 -6.843 10.556 1.00 0.00 C ATOM 48 CD GLU A 17 -11.775 -6.577 10.932 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.479 -5.884 10.169 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.216 -7.072 11.987 1.00 0.00 O ATOM 0 H GLU A 17 -11.527 -4.590 9.405 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.728 -4.914 9.454 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.944 -6.765 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.278 -7.255 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.089 -7.882 10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.680 -6.225 11.173 1.00 0.00 H new ATOM 57 N TRP A 18 -10.090 -4.620 6.503 1.00 0.00 N ATOM 58 CA TRP A 18 -9.789 -4.443 5.091 1.00 0.00 C ATOM 59 C TRP A 18 -8.805 -3.295 4.916 1.00 0.00 C ATOM 60 O TRP A 18 -7.791 -3.422 4.226 1.00 0.00 O ATOM 61 CB TRP A 18 -11.070 -4.175 4.298 1.00 0.00 C ATOM 62 CG TRP A 18 -10.821 -3.984 2.837 1.00 0.00 C ATOM 63 CD1 TRP A 18 -10.426 -4.936 1.944 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.944 -2.764 2.100 1.00 0.00 C ATOM 65 NE1 TRP A 18 -10.291 -4.382 0.696 1.00 0.00 N ATOM 66 CE2 TRP A 18 -10.603 -3.051 0.766 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.307 -1.459 2.438 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -10.614 -2.080 -0.229 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.319 -0.494 1.448 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.974 -0.810 0.128 1.00 0.00 C ATOM 0 H TRP A 18 -11.061 -4.437 6.756 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.338 -5.359 4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.759 -5.008 4.438 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.559 -3.286 4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.246 -5.974 2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -10.005 -4.881 -0.147 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.574 -1.208 3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.348 -2.320 -1.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.599 0.519 1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.993 -0.035 -0.624 1.00 0.00 H new ATOM 81 N LEU A 19 -9.096 -2.187 5.584 1.00 0.00 N ATOM 82 CA LEU A 19 -8.247 -1.003 5.524 1.00 0.00 C ATOM 83 C LEU A 19 -6.959 -1.216 6.322 1.00 0.00 C ATOM 84 O LEU A 19 -6.030 -0.409 6.254 1.00 0.00 O ATOM 85 CB LEU A 19 -8.999 0.225 6.038 1.00 0.00 C ATOM 86 CG LEU A 19 -10.015 0.805 5.050 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.064 1.648 5.758 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.314 1.632 3.983 1.00 0.00 C ATOM 0 H LEU A 19 -9.919 -2.083 6.178 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.978 -0.831 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.518 -0.041 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.275 0.999 6.292 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.522 -0.034 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.768 2.043 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.599 1.032 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.578 2.474 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.053 2.035 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.774 2.452 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.612 1.002 3.437 1.00 0.00 H new ATOM 100 N GLU A 20 -6.906 -2.323 7.052 1.00 0.00 N ATOM 101 CA GLU A 20 -5.738 -2.657 7.854 1.00 0.00 C ATOM 102 C GLU A 20 -4.710 -3.380 6.991 1.00 0.00 C ATOM 103 O GLU A 20 -3.512 -3.100 7.065 1.00 0.00 O ATOM 104 CB GLU A 20 -6.129 -3.513 9.065 1.00 0.00 C ATOM 105 CG GLU A 20 -4.941 -4.060 9.853 1.00 0.00 C ATOM 106 CD GLU A 20 -4.005 -2.972 10.359 1.00 0.00 C ATOM 107 OE1 GLU A 20 -4.416 -1.794 10.400 1.00 0.00 O ATOM 108 OE2 GLU A 20 -2.855 -3.292 10.736 1.00 0.00 O ATOM 0 H GLU A 20 -7.662 -3.006 7.104 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.298 -1.734 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.750 -2.916 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.740 -4.348 8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.310 -4.636 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.380 -4.748 9.221 1.00 0.00 H new ATOM 115 N SER A 21 -5.181 -4.289 6.142 1.00 0.00 N ATOM 116 CA SER A 21 -4.295 -5.036 5.261 1.00 0.00 C ATOM 117 C SER A 21 -3.893 -4.187 4.054 1.00 0.00 C ATOM 118 O SER A 21 -4.036 -4.618 2.911 1.00 0.00 O ATOM 119 CB SER A 21 -4.988 -6.326 4.803 1.00 0.00 C ATOM 120 OG SER A 21 -6.388 -6.136 4.681 1.00 0.00 O ATOM 0 H SER A 21 -6.169 -4.524 6.047 1.00 0.00 H new ATOM 0 HA SER A 21 -3.389 -5.294 5.809 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.576 -6.644 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.787 -7.124 5.517 1.00 0.00 H new ATOM 0 HG SER A 21 -6.807 -6.971 4.386 1.00 0.00 H new ATOM 126 N ILE A 22 -3.387 -2.982 4.339 1.00 0.00 N ATOM 127 CA ILE A 22 -2.941 -2.009 3.335 1.00 0.00 C ATOM 128 C ILE A 22 -2.391 -0.781 4.058 1.00 0.00 C ATOM 129 O ILE A 22 -1.703 0.047 3.462 1.00 0.00 O ATOM 130 CB ILE A 22 -4.046 -1.540 2.349 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.438 -1.650 2.971 1.00 0.00 C ATOM 132 CG2 ILE A 22 -3.968 -2.313 1.037 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.521 -1.062 2.101 1.00 0.00 C ATOM 0 H ILE A 22 -3.274 -2.648 5.296 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.188 -2.518 2.734 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.869 -0.487 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.663 -2.699 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.440 -1.143 3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.752 -1.967 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.994 -2.149 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.102 -3.377 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.485 -1.171 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.317 -0.005 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.544 -1.585 1.145 1.00 0.00 H new ATOM 145 N LYS A 23 -2.716 -0.694 5.356 1.00 0.00 N ATOM 146 CA LYS A 23 -2.283 0.401 6.222 1.00 0.00 C ATOM 147 C LYS A 23 -2.905 1.716 5.791 1.00 0.00 C ATOM 148 O LYS A 23 -2.262 2.759 5.800 1.00 0.00 O ATOM 149 CB LYS A 23 -0.755 0.497 6.269 1.00 0.00 C ATOM 150 CG LYS A 23 -0.101 -0.686 6.973 1.00 0.00 C ATOM 151 CD LYS A 23 -0.537 -0.794 8.431 1.00 0.00 C ATOM 152 CE LYS A 23 -0.079 -2.106 9.056 1.00 0.00 C ATOM 153 NZ LYS A 23 -0.451 -2.205 10.493 1.00 0.00 N ATOM 0 H LYS A 23 -3.291 -1.389 5.833 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.631 0.186 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.370 0.564 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.471 1.418 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.357 -1.607 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.983 -0.583 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.127 0.042 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.623 -0.720 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.520 -2.940 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.003 -2.196 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.112 -2.953 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.263 -1.297 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.462 -2.435 10.575 1.00 0.00 H new ATOM 167 N MET A 24 -4.177 1.643 5.428 1.00 0.00 N ATOM 168 CA MET A 24 -4.934 2.810 5.012 1.00 0.00 C ATOM 169 C MET A 24 -6.016 3.072 6.041 1.00 0.00 C ATOM 170 O MET A 24 -7.039 3.696 5.762 1.00 0.00 O ATOM 171 CB MET A 24 -5.558 2.569 3.639 1.00 0.00 C ATOM 172 CG MET A 24 -4.539 2.235 2.567 1.00 0.00 C ATOM 173 SD MET A 24 -3.534 3.654 2.108 1.00 0.00 S ATOM 174 CE MET A 24 -2.068 2.832 1.498 1.00 0.00 C ATOM 0 H MET A 24 -4.711 0.774 5.414 1.00 0.00 H new ATOM 0 HA MET A 24 -4.275 3.675 4.939 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.278 1.754 3.713 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.113 3.458 3.339 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.891 1.434 2.923 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.055 1.858 1.684 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.215 3.506 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.878 1.938 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 24 -2.216 2.550 0.456 1.00 0.00 H new ATOM 184 N GLN A 25 -5.743 2.594 7.247 1.00 0.00 N ATOM 185 CA GLN A 25 -6.656 2.693 8.379 1.00 0.00 C ATOM 186 C GLN A 25 -7.106 4.121 8.682 1.00 0.00 C ATOM 187 O GLN A 25 -8.185 4.308 9.237 1.00 0.00 O ATOM 188 CB GLN A 25 -6.016 2.077 9.630 1.00 0.00 C ATOM 189 CG GLN A 25 -4.499 2.141 9.633 1.00 0.00 C ATOM 190 CD GLN A 25 -3.914 1.901 11.007 1.00 0.00 C ATOM 191 OE1 GLN A 25 -3.694 2.841 11.768 1.00 0.00 O ATOM 192 NE2 GLN A 25 -3.670 0.644 11.340 1.00 0.00 N ATOM 0 H GLN A 25 -4.868 2.119 7.471 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.550 2.137 8.096 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.394 2.593 10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.327 1.036 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.105 1.398 8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.179 3.118 9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.867 -0.106 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.285 0.425 12.259 1.00 0.00 H new ATOM 201 N GLN A 26 -6.316 5.139 8.339 1.00 0.00 N ATOM 202 CA GLN A 26 -6.713 6.518 8.620 1.00 0.00 C ATOM 203 C GLN A 26 -7.693 7.048 7.570 1.00 0.00 C ATOM 204 O GLN A 26 -8.257 8.129 7.728 1.00 0.00 O ATOM 205 CB GLN A 26 -5.472 7.421 8.697 1.00 0.00 C ATOM 206 CG GLN A 26 -4.616 7.425 7.436 1.00 0.00 C ATOM 207 CD GLN A 26 -3.620 6.280 7.398 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.943 5.181 6.950 1.00 0.00 O ATOM 209 NE2 GLN A 26 -2.408 6.527 7.869 1.00 0.00 N ATOM 0 H GLN A 26 -5.413 5.038 7.875 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.224 6.529 9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.793 8.441 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.857 7.101 9.538 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.264 7.366 6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.078 8.371 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.181 7.453 8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.701 5.792 7.869 1.00 0.00 H new ATOM 218 N TYR A 27 -7.896 6.280 6.504 1.00 0.00 N ATOM 219 CA TYR A 27 -8.812 6.677 5.443 1.00 0.00 C ATOM 220 C TYR A 27 -10.236 6.234 5.764 1.00 0.00 C ATOM 221 O TYR A 27 -11.173 6.524 5.016 1.00 0.00 O ATOM 222 CB TYR A 27 -8.361 6.102 4.102 1.00 0.00 C ATOM 223 CG TYR A 27 -7.135 6.783 3.541 1.00 0.00 C ATOM 224 CD1 TYR A 27 -7.243 7.956 2.805 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.871 6.254 3.750 1.00 0.00 C ATOM 226 CE1 TYR A 27 -6.123 8.581 2.292 1.00 0.00 C ATOM 227 CE2 TYR A 27 -4.745 6.871 3.242 1.00 0.00 C ATOM 228 CZ TYR A 27 -4.877 8.036 2.513 1.00 0.00 C ATOM 229 OH TYR A 27 -3.759 8.657 2.000 1.00 0.00 O ATOM 0 H TYR A 27 -7.439 5.381 6.353 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.801 7.765 5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.154 5.038 4.222 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.177 6.189 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.218 8.386 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.765 5.343 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.223 9.492 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.768 6.445 3.414 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.049 7.995 1.867 1.00 0.00 H new ATOM 239 N THR A 28 -10.392 5.521 6.877 1.00 0.00 N ATOM 240 CA THR A 28 -11.702 5.058 7.316 1.00 0.00 C ATOM 241 C THR A 28 -12.593 6.254 7.623 1.00 0.00 C ATOM 242 O THR A 28 -13.779 6.274 7.284 1.00 0.00 O ATOM 243 CB THR A 28 -11.584 4.167 8.564 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.462 3.285 8.421 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.850 3.349 8.773 1.00 0.00 C ATOM 0 H THR A 28 -9.624 5.252 7.492 1.00 0.00 H new ATOM 0 HA THR A 28 -12.143 4.467 6.513 1.00 0.00 H new ATOM 0 HB THR A 28 -11.442 4.810 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.686 3.665 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.739 2.728 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.699 4.020 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.019 2.712 7.905 1.00 0.00 H new ATOM 253 N GLU A 29 -11.989 7.278 8.221 1.00 0.00 N ATOM 254 CA GLU A 29 -12.692 8.504 8.575 1.00 0.00 C ATOM 255 C GLU A 29 -12.754 9.421 7.360 1.00 0.00 C ATOM 256 O GLU A 29 -12.448 10.609 7.437 1.00 0.00 O ATOM 257 CB GLU A 29 -11.979 9.205 9.733 1.00 0.00 C ATOM 258 CG GLU A 29 -11.426 8.242 10.772 1.00 0.00 C ATOM 259 CD GLU A 29 -10.938 8.939 12.028 1.00 0.00 C ATOM 260 OE1 GLU A 29 -11.783 9.318 12.868 1.00 0.00 O ATOM 261 OE2 GLU A 29 -9.709 9.107 12.183 1.00 0.00 O ATOM 0 H GLU A 29 -11.000 7.279 8.473 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.706 8.260 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.162 9.808 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.675 9.890 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.200 7.522 11.040 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.603 7.677 10.334 1.00 0.00 H new ATOM 268 N HIS A 30 -13.185 8.836 6.252 1.00 0.00 N ATOM 269 CA HIS A 30 -13.297 9.517 4.972 1.00 0.00 C ATOM 270 C HIS A 30 -14.178 8.677 4.059 1.00 0.00 C ATOM 271 O HIS A 30 -15.156 9.163 3.494 1.00 0.00 O ATOM 272 CB HIS A 30 -11.914 9.702 4.340 1.00 0.00 C ATOM 273 CG HIS A 30 -11.528 11.133 4.115 1.00 0.00 C ATOM 274 ND1 HIS A 30 -11.528 11.743 2.880 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.111 12.075 4.997 1.00 0.00 C ATOM 276 CE1 HIS A 30 -11.123 13.009 3.043 1.00 0.00 C ATOM 277 NE2 HIS A 30 -10.856 13.260 4.311 1.00 0.00 N ATOM 0 H HIS A 30 -13.471 7.858 6.218 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.737 10.504 5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.168 9.233 4.981 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.890 9.176 3.385 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -11.791 11.307 1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.995 11.930 6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.028 13.729 2.243 1.00 0.00 H new ATOM 285 N PHE A 31 -13.836 7.393 3.958 1.00 0.00 N ATOM 286 CA PHE A 31 -14.587 6.446 3.138 1.00 0.00 C ATOM 287 C PHE A 31 -15.994 6.266 3.692 1.00 0.00 C ATOM 288 O PHE A 31 -16.973 6.212 2.946 1.00 0.00 O ATOM 289 CB PHE A 31 -13.886 5.086 3.117 1.00 0.00 C ATOM 290 CG PHE A 31 -12.740 4.981 2.150 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.852 6.032 1.974 1.00 0.00 C ATOM 292 CD2 PHE A 31 -12.546 3.817 1.427 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.792 5.921 1.093 1.00 0.00 C ATOM 294 CE2 PHE A 31 -11.491 3.701 0.545 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.613 4.753 0.378 1.00 0.00 C ATOM 0 H PHE A 31 -13.036 6.983 4.439 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.641 6.845 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.518 4.867 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.620 4.318 2.873 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.990 6.947 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -13.228 2.990 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.106 6.745 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.352 2.788 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.787 4.663 -0.311 1.00 0.00 H new ATOM 305 N MET A 32 -16.088 6.215 5.018 1.00 0.00 N ATOM 306 CA MET A 32 -17.368 6.024 5.691 1.00 0.00 C ATOM 307 C MET A 32 -18.201 7.299 5.675 1.00 0.00 C ATOM 308 O MET A 32 -19.386 7.281 6.009 1.00 0.00 O ATOM 309 CB MET A 32 -17.158 5.548 7.130 1.00 0.00 C ATOM 310 CG MET A 32 -16.696 4.107 7.226 1.00 0.00 C ATOM 311 SD MET A 32 -16.853 3.448 8.893 1.00 0.00 S ATOM 312 CE MET A 32 -16.403 1.739 8.615 1.00 0.00 C ATOM 0 H MET A 32 -15.291 6.304 5.648 1.00 0.00 H new ATOM 0 HA MET A 32 -17.915 5.256 5.143 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.422 6.191 7.614 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.091 5.660 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.280 3.494 6.539 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.656 4.040 6.908 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.451 1.192 9.557 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.094 1.292 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.389 1.690 8.218 1.00 0.00 H new ATOM 322 N ALA A 33 -17.592 8.397 5.244 1.00 0.00 N ATOM 323 CA ALA A 33 -18.286 9.673 5.181 1.00 0.00 C ATOM 324 C ALA A 33 -18.840 9.878 3.777 1.00 0.00 C ATOM 325 O ALA A 33 -19.622 10.792 3.525 1.00 0.00 O ATOM 326 CB ALA A 33 -17.350 10.815 5.560 1.00 0.00 C ATOM 0 H ALA A 33 -16.621 8.427 4.934 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.110 9.666 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.889 11.761 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.984 10.663 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.507 10.839 4.870 1.00 0.00 H new ATOM 332 N ALA A 34 -18.417 9.003 2.868 1.00 0.00 N ATOM 333 CA ALA A 34 -18.855 9.055 1.479 1.00 0.00 C ATOM 334 C ALA A 34 -20.008 8.083 1.240 1.00 0.00 C ATOM 335 O ALA A 34 -20.564 8.018 0.145 1.00 0.00 O ATOM 336 CB ALA A 34 -17.694 8.739 0.548 1.00 0.00 C ATOM 0 H ALA A 34 -17.766 8.245 3.073 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.209 10.064 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -18.035 8.781 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.898 9.469 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -17.315 7.740 0.765 1.00 0.00 H new ATOM 342 N GLY A 35 -20.351 7.321 2.272 1.00 0.00 N ATOM 343 CA GLY A 35 -21.441 6.371 2.161 1.00 0.00 C ATOM 344 C GLY A 35 -20.974 4.931 2.184 1.00 0.00 C ATOM 345 O GLY A 35 -21.789 4.009 2.249 1.00 0.00 O ATOM 0 H GLY A 35 -19.894 7.344 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -22.142 6.533 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.985 6.556 1.235 1.00 0.00 H new ATOM 349 N TYR A 36 -19.667 4.721 2.148 1.00 0.00 N ATOM 350 CA TYR A 36 -19.124 3.370 2.157 1.00 0.00 C ATOM 351 C TYR A 36 -18.922 2.893 3.590 1.00 0.00 C ATOM 352 O TYR A 36 -17.816 2.940 4.126 1.00 0.00 O ATOM 353 CB TYR A 36 -17.808 3.319 1.377 1.00 0.00 C ATOM 354 CG TYR A 36 -17.924 3.875 -0.025 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.783 3.297 -0.951 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.181 4.981 -0.420 1.00 0.00 C ATOM 357 CE1 TYR A 36 -18.899 3.807 -2.230 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.291 5.494 -1.698 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.150 4.904 -2.597 1.00 0.00 C ATOM 360 OH TYR A 36 -18.269 5.415 -3.867 1.00 0.00 O ATOM 0 H TYR A 36 -18.967 5.462 2.113 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.835 2.703 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -17.048 3.880 1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.464 2.286 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.369 2.436 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.507 5.447 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.573 3.348 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.706 6.354 -1.990 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.547 6.057 -4.030 1.00 0.00 H new ATOM 370 N THR A 37 -20.007 2.454 4.210 1.00 0.00 N ATOM 371 CA THR A 37 -19.969 1.977 5.582 1.00 0.00 C ATOM 372 C THR A 37 -19.969 0.453 5.662 1.00 0.00 C ATOM 373 O THR A 37 -20.011 -0.115 6.753 1.00 0.00 O ATOM 374 CB THR A 37 -21.174 2.523 6.363 1.00 0.00 C ATOM 375 OG1 THR A 37 -22.162 3.010 5.442 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.746 3.640 7.304 1.00 0.00 C ATOM 0 H THR A 37 -20.931 2.419 3.780 1.00 0.00 H new ATOM 0 HA THR A 37 -19.039 2.338 6.022 1.00 0.00 H new ATOM 0 HB THR A 37 -21.598 1.716 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.931 3.357 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.615 4.012 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.012 3.257 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.304 4.452 6.727 1.00 0.00 H new ATOM 384 N ALA A 38 -19.900 -0.210 4.512 1.00 0.00 N ATOM 385 CA ALA A 38 -19.910 -1.664 4.478 1.00 0.00 C ATOM 386 C ALA A 38 -19.196 -2.190 3.236 1.00 0.00 C ATOM 387 O ALA A 38 -19.054 -1.476 2.244 1.00 0.00 O ATOM 388 CB ALA A 38 -21.334 -2.190 4.554 1.00 0.00 C ATOM 0 H ALA A 38 -19.837 0.236 3.597 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.366 -2.028 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.321 -3.280 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.796 -1.855 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.907 -1.813 3.707 1.00 0.00 H new ATOM 394 N ILE A 39 -18.771 -3.449 3.303 1.00 0.00 N ATOM 395 CA ILE A 39 -18.032 -4.101 2.220 1.00 0.00 C ATOM 396 C ILE A 39 -18.769 -4.092 0.875 1.00 0.00 C ATOM 397 O ILE A 39 -18.154 -3.840 -0.164 1.00 0.00 O ATOM 398 CB ILE A 39 -17.681 -5.558 2.598 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.929 -5.599 3.935 1.00 0.00 C ATOM 400 CG2 ILE A 39 -16.851 -6.214 1.498 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.612 -4.848 3.924 1.00 0.00 C ATOM 0 H ILE A 39 -18.929 -4.050 4.112 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.124 -3.512 2.092 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.610 -6.118 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.568 -5.180 4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.741 -6.639 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.614 -7.239 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.419 -6.218 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.927 -5.654 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.142 -4.924 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.953 -5.280 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.793 -3.799 3.689 1.00 0.00 H new ATOM 413 N GLU A 40 -20.076 -4.340 0.882 1.00 0.00 N ATOM 414 CA GLU A 40 -20.847 -4.383 -0.365 1.00 0.00 C ATOM 415 C GLU A 40 -20.822 -3.032 -1.077 1.00 0.00 C ATOM 416 O GLU A 40 -20.862 -2.971 -2.306 1.00 0.00 O ATOM 417 CB GLU A 40 -22.297 -4.816 -0.115 1.00 0.00 C ATOM 418 CG GLU A 40 -22.552 -5.369 1.276 1.00 0.00 C ATOM 419 CD GLU A 40 -22.934 -4.286 2.259 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.609 -3.110 2.002 1.00 0.00 O ATOM 421 OE2 GLU A 40 -23.564 -4.604 3.288 1.00 0.00 O ATOM 0 H GLU A 40 -20.622 -4.513 1.726 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.373 -5.125 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.953 -3.961 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.570 -5.573 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.348 -6.112 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -21.658 -5.881 1.631 1.00 0.00 H new ATOM 428 N LYS A 41 -20.756 -1.956 -0.308 1.00 0.00 N ATOM 429 CA LYS A 41 -20.708 -0.617 -0.880 1.00 0.00 C ATOM 430 C LYS A 41 -19.292 -0.294 -1.338 1.00 0.00 C ATOM 431 O LYS A 41 -19.091 0.434 -2.307 1.00 0.00 O ATOM 432 CB LYS A 41 -21.188 0.419 0.136 1.00 0.00 C ATOM 433 CG LYS A 41 -22.647 0.249 0.516 1.00 0.00 C ATOM 434 CD LYS A 41 -22.850 0.352 2.015 1.00 0.00 C ATOM 435 CE LYS A 41 -24.247 -0.095 2.411 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.604 -1.407 1.809 1.00 0.00 N ATOM 0 H LYS A 41 -20.734 -1.982 0.711 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.373 -0.584 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.574 0.350 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.040 1.418 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.245 1.010 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -23.004 -0.719 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.110 -0.262 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.689 1.381 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.311 -0.165 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.971 0.657 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.408 -1.819 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.866 -1.272 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.788 -2.050 1.868 1.00 0.00 H new ATOM 450 N VAL A 42 -18.315 -0.861 -0.643 1.00 0.00 N ATOM 451 CA VAL A 42 -16.915 -0.646 -0.972 1.00 0.00 C ATOM 452 C VAL A 42 -16.594 -1.193 -2.362 1.00 0.00 C ATOM 453 O VAL A 42 -15.857 -0.577 -3.128 1.00 0.00 O ATOM 454 CB VAL A 42 -15.984 -1.298 0.079 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.531 -1.259 -0.371 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.139 -0.605 1.425 1.00 0.00 C ATOM 0 H VAL A 42 -18.469 -1.476 0.156 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.739 0.430 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.276 -2.343 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.902 -1.724 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.426 -1.801 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.222 -0.223 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.478 -1.074 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.878 0.448 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.172 -0.692 1.762 1.00 0.00 H new ATOM 466 N VAL A 43 -17.182 -2.334 -2.704 1.00 0.00 N ATOM 467 CA VAL A 43 -16.941 -2.946 -4.008 1.00 0.00 C ATOM 468 C VAL A 43 -17.776 -2.278 -5.098 1.00 0.00 C ATOM 469 O VAL A 43 -17.610 -2.572 -6.285 1.00 0.00 O ATOM 470 CB VAL A 43 -17.231 -4.464 -4.000 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.308 -5.178 -3.028 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.687 -4.742 -3.660 1.00 0.00 C ATOM 0 H VAL A 43 -17.824 -2.851 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.883 -2.798 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.042 -4.848 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.527 -6.246 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.272 -5.018 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.462 -4.784 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.862 -5.818 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.913 -4.339 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -19.331 -4.269 -4.401 1.00 0.00 H new ATOM 482 N GLN A 44 -18.669 -1.382 -4.689 1.00 0.00 N ATOM 483 CA GLN A 44 -19.527 -0.669 -5.628 1.00 0.00 C ATOM 484 C GLN A 44 -18.778 0.496 -6.260 1.00 0.00 C ATOM 485 O GLN A 44 -19.073 0.897 -7.385 1.00 0.00 O ATOM 486 CB GLN A 44 -20.785 -0.153 -4.928 1.00 0.00 C ATOM 487 CG GLN A 44 -21.903 -1.177 -4.846 1.00 0.00 C ATOM 488 CD GLN A 44 -23.000 -0.763 -3.886 1.00 0.00 C ATOM 489 OE1 GLN A 44 -23.250 0.425 -3.678 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.659 -1.743 -3.291 1.00 0.00 N ATOM 0 H GLN A 44 -18.817 -1.132 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.821 -1.369 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.523 0.167 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.149 0.727 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.330 -1.325 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.491 -2.135 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.420 -2.714 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.407 -1.528 -2.631 1.00 0.00 H new ATOM 499 N MET A 45 -17.818 1.044 -5.521 1.00 0.00 N ATOM 500 CA MET A 45 -17.016 2.162 -6.009 1.00 0.00 C ATOM 501 C MET A 45 -16.104 1.705 -7.150 1.00 0.00 C ATOM 502 O MET A 45 -16.144 0.545 -7.565 1.00 0.00 O ATOM 503 CB MET A 45 -16.190 2.772 -4.864 1.00 0.00 C ATOM 504 CG MET A 45 -14.886 2.037 -4.568 1.00 0.00 C ATOM 505 SD MET A 45 -13.916 2.829 -3.269 1.00 0.00 S ATOM 506 CE MET A 45 -14.859 2.383 -1.813 1.00 0.00 C ATOM 0 H MET A 45 -17.576 0.732 -4.581 1.00 0.00 H new ATOM 0 HA MET A 45 -17.687 2.930 -6.392 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.961 3.809 -5.110 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.799 2.786 -3.960 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.111 1.012 -4.273 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.290 1.983 -5.479 1.00 0.00 H new ATOM 0 HE1 MET A 45 -14.344 2.741 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 45 -15.849 2.837 -1.867 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.959 1.299 -1.763 1.00 0.00 H new ATOM 516 N THR A 46 -15.274 2.607 -7.646 1.00 0.00 N ATOM 517 CA THR A 46 -14.369 2.285 -8.733 1.00 0.00 C ATOM 518 C THR A 46 -12.977 2.838 -8.439 1.00 0.00 C ATOM 519 O THR A 46 -12.751 3.428 -7.381 1.00 0.00 O ATOM 520 CB THR A 46 -14.894 2.815 -10.092 1.00 0.00 C ATOM 521 OG1 THR A 46 -14.165 2.218 -11.174 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.782 4.332 -10.181 1.00 0.00 C ATOM 0 H THR A 46 -15.209 3.569 -7.312 1.00 0.00 H new ATOM 0 HA THR A 46 -14.310 1.199 -8.810 1.00 0.00 H new ATOM 0 HB THR A 46 -15.947 2.543 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.879 1.317 -10.917 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.159 4.669 -11.147 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.369 4.788 -9.383 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.738 4.626 -10.077 1.00 0.00 H new ATOM 530 N ASN A 47 -12.058 2.657 -9.380 1.00 0.00 N ATOM 531 CA ASN A 47 -10.678 3.112 -9.225 1.00 0.00 C ATOM 532 C ASN A 47 -10.609 4.615 -8.971 1.00 0.00 C ATOM 533 O ASN A 47 -9.997 5.063 -8.002 1.00 0.00 O ATOM 534 CB ASN A 47 -9.867 2.760 -10.475 1.00 0.00 C ATOM 535 CG ASN A 47 -8.372 2.924 -10.275 1.00 0.00 C ATOM 536 OD1 ASN A 47 -7.706 2.037 -9.734 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.826 4.046 -10.723 1.00 0.00 N ATOM 0 H ASN A 47 -12.245 2.193 -10.269 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.255 2.604 -8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.079 1.730 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.189 3.393 -11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.822 4.199 -10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.410 4.756 -11.165 1.00 0.00 H new ATOM 544 N ASP A 48 -11.246 5.391 -9.840 1.00 0.00 N ATOM 545 CA ASP A 48 -11.242 6.845 -9.716 1.00 0.00 C ATOM 546 C ASP A 48 -12.024 7.327 -8.495 1.00 0.00 C ATOM 547 O ASP A 48 -11.750 8.402 -7.962 1.00 0.00 O ATOM 548 CB ASP A 48 -11.814 7.485 -10.979 1.00 0.00 C ATOM 549 CG ASP A 48 -11.300 8.893 -11.186 1.00 0.00 C ATOM 550 OD1 ASP A 48 -10.097 9.048 -11.482 1.00 0.00 O ATOM 551 OD2 ASP A 48 -12.098 9.847 -11.063 1.00 0.00 O ATOM 0 H ASP A 48 -11.773 5.038 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.204 7.151 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.555 6.874 -11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.902 7.502 -10.915 1.00 0.00 H new ATOM 556 N ASP A 49 -13.000 6.536 -8.059 1.00 0.00 N ATOM 557 CA ASP A 49 -13.817 6.886 -6.894 1.00 0.00 C ATOM 558 C ASP A 49 -12.944 7.060 -5.658 1.00 0.00 C ATOM 559 O ASP A 49 -13.142 7.982 -4.863 1.00 0.00 O ATOM 560 CB ASP A 49 -14.866 5.801 -6.639 1.00 0.00 C ATOM 561 CG ASP A 49 -16.173 6.354 -6.103 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.237 6.690 -4.904 1.00 0.00 O ATOM 563 OD2 ASP A 49 -17.150 6.435 -6.880 1.00 0.00 O ATOM 0 H ASP A 49 -13.247 5.647 -8.493 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.321 7.830 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.059 5.264 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.466 5.077 -5.929 1.00 0.00 H new ATOM 568 N ILE A 50 -11.955 6.196 -5.521 1.00 0.00 N ATOM 569 CA ILE A 50 -11.006 6.235 -4.412 1.00 0.00 C ATOM 570 C ILE A 50 -10.273 7.553 -4.373 1.00 0.00 C ATOM 571 O ILE A 50 -9.893 8.046 -3.306 1.00 0.00 O ATOM 572 CB ILE A 50 -10.007 5.007 -4.464 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.666 3.619 -4.185 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.795 5.172 -3.496 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.789 2.385 -4.483 1.00 0.00 C ATOM 0 H ILE A 50 -11.782 5.438 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.571 6.148 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.664 5.017 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.964 3.584 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.577 3.545 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.145 4.301 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.235 6.068 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.157 5.263 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.347 1.478 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.511 2.382 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.888 2.422 -3.870 1.00 0.00 H new ATOM 587 N LYS A 51 -10.022 8.111 -5.546 1.00 0.00 N ATOM 588 CA LYS A 51 -9.283 9.361 -5.665 1.00 0.00 C ATOM 589 C LYS A 51 -10.165 10.564 -5.355 1.00 0.00 C ATOM 590 O LYS A 51 -9.665 11.669 -5.155 1.00 0.00 O ATOM 591 CB LYS A 51 -8.725 9.504 -7.079 1.00 0.00 C ATOM 592 CG LYS A 51 -8.050 8.248 -7.605 1.00 0.00 C ATOM 593 CD LYS A 51 -7.805 8.335 -9.101 1.00 0.00 C ATOM 594 CE LYS A 51 -6.807 9.428 -9.446 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.414 8.912 -9.487 1.00 0.00 N ATOM 0 H LYS A 51 -10.321 7.715 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.469 9.332 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.536 9.778 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.007 10.324 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.102 8.099 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.672 7.380 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.435 7.377 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.748 8.528 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.063 9.861 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.876 10.229 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.747 9.707 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.261 8.263 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.258 8.404 -10.381 1.00 0.00 H new ATOM 609 N ARG A 52 -11.469 10.345 -5.309 1.00 0.00 N ATOM 610 CA ARG A 52 -12.413 11.419 -5.039 1.00 0.00 C ATOM 611 C ARG A 52 -12.677 11.523 -3.545 1.00 0.00 C ATOM 612 O ARG A 52 -12.767 12.621 -2.992 1.00 0.00 O ATOM 613 CB ARG A 52 -13.724 11.176 -5.801 1.00 0.00 C ATOM 614 CG ARG A 52 -14.935 11.869 -5.190 1.00 0.00 C ATOM 615 CD ARG A 52 -16.130 11.853 -6.130 1.00 0.00 C ATOM 616 NE ARG A 52 -17.331 12.421 -5.510 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.615 13.726 -5.478 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.774 14.610 -6.003 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.739 14.144 -4.910 1.00 0.00 N ATOM 0 H ARG A 52 -11.899 9.432 -5.455 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.983 12.360 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.603 11.518 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.915 10.104 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.202 11.377 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.679 12.900 -4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.888 12.416 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.333 10.828 -6.439 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.993 11.778 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.905 14.294 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.997 15.605 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.384 13.469 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.958 15.140 -4.884 1.00 0.00 H new ATOM 633 N ILE A 53 -12.766 10.372 -2.897 1.00 0.00 N ATOM 634 CA ILE A 53 -13.035 10.313 -1.468 1.00 0.00 C ATOM 635 C ILE A 53 -11.799 10.610 -0.618 1.00 0.00 C ATOM 636 O ILE A 53 -11.780 10.325 0.579 1.00 0.00 O ATOM 637 CB ILE A 53 -13.621 8.941 -1.072 1.00 0.00 C ATOM 638 CG1 ILE A 53 -12.704 7.803 -1.535 1.00 0.00 C ATOM 639 CG2 ILE A 53 -15.014 8.786 -1.663 1.00 0.00 C ATOM 640 CD1 ILE A 53 -13.329 6.428 -1.416 1.00 0.00 C ATOM 0 H ILE A 53 -12.655 9.460 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.768 11.094 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.692 8.890 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.423 7.975 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.786 7.827 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.423 7.816 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.661 9.577 -1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.958 8.854 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.621 5.675 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.585 6.234 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.231 6.385 -2.026 1.00 0.00 H new ATOM 652 N GLY A 54 -10.768 11.190 -1.226 1.00 0.00 N ATOM 653 CA GLY A 54 -9.570 11.525 -0.479 1.00 0.00 C ATOM 654 C GLY A 54 -8.288 11.171 -1.203 1.00 0.00 C ATOM 655 O GLY A 54 -7.837 11.933 -2.053 1.00 0.00 O ATOM 0 H GLY A 54 -10.741 11.432 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.573 12.593 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.592 11.006 0.479 1.00 0.00 H new ATOM 659 N VAL A 55 -7.731 10.013 -0.831 1.00 0.00 N ATOM 660 CA VAL A 55 -6.473 9.455 -1.367 1.00 0.00 C ATOM 661 C VAL A 55 -5.933 10.170 -2.608 1.00 0.00 C ATOM 662 O VAL A 55 -6.284 9.827 -3.739 1.00 0.00 O ATOM 663 CB VAL A 55 -6.646 7.965 -1.714 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.297 7.275 -1.780 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.559 7.275 -0.712 1.00 0.00 C ATOM 0 H VAL A 55 -8.155 9.413 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.747 9.601 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.115 7.896 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.438 6.223 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.684 7.748 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.798 7.358 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.665 6.224 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.129 7.354 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.539 7.753 -0.724 1.00 0.00 H new ATOM 675 N ARG A 56 -5.071 11.161 -2.395 1.00 0.00 N ATOM 676 CA ARG A 56 -4.483 11.902 -3.506 1.00 0.00 C ATOM 677 C ARG A 56 -3.155 11.279 -3.938 1.00 0.00 C ATOM 678 O ARG A 56 -2.653 11.557 -5.028 1.00 0.00 O ATOM 679 CB ARG A 56 -4.278 13.374 -3.125 1.00 0.00 C ATOM 680 CG ARG A 56 -3.161 13.607 -2.117 1.00 0.00 C ATOM 681 CD ARG A 56 -1.875 14.059 -2.799 1.00 0.00 C ATOM 682 NE ARG A 56 -1.965 15.437 -3.282 1.00 0.00 N ATOM 683 CZ ARG A 56 -1.554 16.493 -2.586 1.00 0.00 C ATOM 684 NH1 ARG A 56 -1.039 16.333 -1.371 1.00 0.00 N ATOM 685 NH2 ARG A 56 -1.662 17.713 -3.104 1.00 0.00 N ATOM 0 H ARG A 56 -4.766 11.467 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.175 11.851 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.062 13.945 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.209 13.765 -2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.474 14.360 -1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.975 12.688 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.044 13.974 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.656 13.395 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.366 15.597 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.958 15.398 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.725 17.145 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.060 17.838 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.347 18.523 -2.571 1.00 0.00 H new ATOM 699 N LEU A 57 -2.580 10.448 -3.076 1.00 0.00 N ATOM 700 CA LEU A 57 -1.315 9.795 -3.380 1.00 0.00 C ATOM 701 C LEU A 57 -1.555 8.560 -4.247 1.00 0.00 C ATOM 702 O LEU A 57 -2.333 7.682 -3.876 1.00 0.00 O ATOM 703 CB LEU A 57 -0.579 9.420 -2.087 1.00 0.00 C ATOM 704 CG LEU A 57 0.075 10.595 -1.351 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.650 10.141 -0.016 1.00 0.00 C ATOM 706 CD2 LEU A 57 1.160 11.224 -2.211 1.00 0.00 C ATOM 0 H LEU A 57 -2.970 10.212 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.686 10.490 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.285 8.935 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.191 8.686 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.691 11.346 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.109 10.990 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.149 9.737 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.402 9.370 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.614 12.056 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.923 10.479 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.722 11.588 -3.140 1.00 0.00 H new ATOM 718 N PRO A 58 -0.881 8.480 -5.409 1.00 0.00 N ATOM 719 CA PRO A 58 -1.039 7.361 -6.350 1.00 0.00 C ATOM 720 C PRO A 58 -0.662 6.020 -5.738 1.00 0.00 C ATOM 721 O PRO A 58 -1.304 5.002 -6.001 1.00 0.00 O ATOM 722 CB PRO A 58 -0.092 7.712 -7.503 1.00 0.00 C ATOM 723 CG PRO A 58 0.865 8.701 -6.932 1.00 0.00 C ATOM 724 CD PRO A 58 0.092 9.469 -5.900 1.00 0.00 C ATOM 0 HA PRO A 58 -2.078 7.245 -6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.428 6.827 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.638 8.134 -8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.724 8.201 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.250 9.365 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.737 9.831 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.401 10.340 -6.331 1.00 0.00 H new ATOM 732 N GLY A 59 0.374 6.024 -4.913 1.00 0.00 N ATOM 733 CA GLY A 59 0.809 4.804 -4.273 1.00 0.00 C ATOM 734 C GLY A 59 -0.195 4.315 -3.248 1.00 0.00 C ATOM 735 O GLY A 59 -0.426 3.111 -3.118 1.00 0.00 O ATOM 0 H GLY A 59 0.921 6.852 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.962 4.033 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.771 4.971 -3.788 1.00 0.00 H new ATOM 739 N HIS A 60 -0.802 5.249 -2.523 1.00 0.00 N ATOM 740 CA HIS A 60 -1.803 4.902 -1.526 1.00 0.00 C ATOM 741 C HIS A 60 -3.022 4.333 -2.235 1.00 0.00 C ATOM 742 O HIS A 60 -3.739 3.487 -1.700 1.00 0.00 O ATOM 743 CB HIS A 60 -2.208 6.131 -0.708 1.00 0.00 C ATOM 744 CG HIS A 60 -1.362 6.385 0.500 1.00 0.00 C ATOM 745 ND1 HIS A 60 -1.747 6.073 1.784 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.141 6.962 0.610 1.00 0.00 C ATOM 747 CE1 HIS A 60 -0.776 6.464 2.615 1.00 0.00 C ATOM 748 NE2 HIS A 60 0.224 7.010 1.953 1.00 0.00 N ATOM 0 H HIS A 60 -0.618 6.249 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.384 4.163 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.169 7.009 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.244 6.014 -0.391 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.621 5.622 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.455 7.327 -0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.807 6.348 3.688 1.00 0.00 H new ATOM 756 N GLN A 61 -3.230 4.804 -3.462 1.00 0.00 N ATOM 757 CA GLN A 61 -4.350 4.355 -4.280 1.00 0.00 C ATOM 758 C GLN A 61 -4.156 2.890 -4.655 1.00 0.00 C ATOM 759 O GLN A 61 -4.971 2.041 -4.301 1.00 0.00 O ATOM 760 CB GLN A 61 -4.475 5.212 -5.542 1.00 0.00 C ATOM 761 CG GLN A 61 -5.174 6.541 -5.312 1.00 0.00 C ATOM 762 CD GLN A 61 -4.796 7.588 -6.346 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.472 7.266 -7.489 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.849 8.852 -5.957 1.00 0.00 N ATOM 0 H GLN A 61 -2.634 5.499 -3.912 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.270 4.460 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.479 5.400 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.022 4.650 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.253 6.388 -5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.924 6.911 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.122 9.080 -5.001 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.617 9.598 -6.613 1.00 0.00 H new ATOM 773 N LYS A 62 -3.093 2.635 -5.424 1.00 0.00 N ATOM 774 CA LYS A 62 -2.716 1.282 -5.849 1.00 0.00 C ATOM 775 C LYS A 62 -2.892 0.245 -4.738 1.00 0.00 C ATOM 776 O LYS A 62 -3.418 -0.838 -4.984 1.00 0.00 O ATOM 777 CB LYS A 62 -1.269 1.263 -6.344 1.00 0.00 C ATOM 778 CG LYS A 62 -1.121 1.659 -7.805 1.00 0.00 C ATOM 779 CD LYS A 62 0.283 1.387 -8.323 1.00 0.00 C ATOM 780 CE LYS A 62 0.547 -0.102 -8.506 1.00 0.00 C ATOM 781 NZ LYS A 62 1.987 -0.382 -8.744 1.00 0.00 N ATOM 0 H LYS A 62 -2.468 3.362 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.390 1.010 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.675 1.940 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.859 0.263 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.844 1.108 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.352 2.718 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.424 1.899 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.012 1.801 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.213 -0.642 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.039 -0.475 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.117 -1.397 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.316 0.166 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.537 -0.112 -7.904 1.00 0.00 H new ATOM 795 N ARG A 63 -2.448 0.574 -3.529 1.00 0.00 N ATOM 796 CA ARG A 63 -2.577 -0.341 -2.394 1.00 0.00 C ATOM 797 C ARG A 63 -4.048 -0.665 -2.135 1.00 0.00 C ATOM 798 O ARG A 63 -4.437 -1.832 -2.091 1.00 0.00 O ATOM 799 CB ARG A 63 -1.942 0.262 -1.138 1.00 0.00 C ATOM 800 CG ARG A 63 -0.803 -0.568 -0.561 1.00 0.00 C ATOM 801 CD ARG A 63 0.560 -0.034 -0.980 1.00 0.00 C ATOM 802 NE ARG A 63 1.122 -0.760 -2.128 1.00 0.00 N ATOM 803 CZ ARG A 63 1.573 -0.167 -3.238 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.457 1.143 -3.389 1.00 0.00 N ATOM 805 NH2 ARG A 63 2.133 -0.881 -4.204 1.00 0.00 N ATOM 0 H ARG A 63 -1.998 1.462 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.051 -1.264 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.568 1.258 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.712 0.383 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.872 -0.572 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.904 -1.602 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.471 1.023 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.248 -0.104 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 63 1.171 -1.777 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.022 1.704 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.803 1.591 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.223 -1.892 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.474 -0.419 -5.047 1.00 0.00 H new ATOM 819 N ILE A 64 -4.858 0.378 -1.978 1.00 0.00 N ATOM 820 CA ILE A 64 -6.292 0.216 -1.736 1.00 0.00 C ATOM 821 C ILE A 64 -6.957 -0.554 -2.876 1.00 0.00 C ATOM 822 O ILE A 64 -7.724 -1.488 -2.644 1.00 0.00 O ATOM 823 CB ILE A 64 -6.997 1.583 -1.569 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.459 2.295 -0.330 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.510 1.409 -1.472 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.002 3.693 -0.144 1.00 0.00 C ATOM 0 H ILE A 64 -4.546 1.349 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.395 -0.349 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.787 2.192 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.700 1.702 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.372 2.343 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.982 2.385 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.880 0.933 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.750 0.785 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.574 4.133 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.738 4.304 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.087 3.652 -0.047 1.00 0.00 H new ATOM 838 N ALA A 65 -6.637 -0.162 -4.107 1.00 0.00 N ATOM 839 CA ALA A 65 -7.195 -0.794 -5.298 1.00 0.00 C ATOM 840 C ALA A 65 -6.840 -2.274 -5.359 1.00 0.00 C ATOM 841 O ALA A 65 -7.661 -3.105 -5.758 1.00 0.00 O ATOM 842 CB ALA A 65 -6.697 -0.080 -6.546 1.00 0.00 C ATOM 0 H ALA A 65 -5.987 0.599 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.281 -0.714 -5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.118 -0.558 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.007 0.965 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.609 -0.135 -6.587 1.00 0.00 H new ATOM 848 N TYR A 66 -5.615 -2.592 -4.959 1.00 0.00 N ATOM 849 CA TYR A 66 -5.137 -3.966 -4.952 1.00 0.00 C ATOM 850 C TYR A 66 -6.039 -4.844 -4.090 1.00 0.00 C ATOM 851 O TYR A 66 -6.475 -5.916 -4.510 1.00 0.00 O ATOM 852 CB TYR A 66 -3.699 -4.009 -4.426 1.00 0.00 C ATOM 853 CG TYR A 66 -3.112 -5.400 -4.298 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.257 -6.342 -5.314 1.00 0.00 C ATOM 855 CD2 TYR A 66 -2.394 -5.767 -3.162 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.705 -7.605 -5.201 1.00 0.00 C ATOM 857 CE2 TYR A 66 -1.842 -7.029 -3.043 1.00 0.00 C ATOM 858 CZ TYR A 66 -2.001 -7.945 -4.067 1.00 0.00 C ATOM 859 OH TYR A 66 -1.451 -9.202 -3.962 1.00 0.00 O ATOM 0 H TYR A 66 -4.931 -1.909 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.158 -4.351 -5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.066 -3.422 -5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.669 -3.526 -3.449 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.810 -6.082 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.266 -5.054 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.826 -8.322 -5.999 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.289 -7.298 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.986 -9.285 -3.103 1.00 0.00 H new ATOM 869 N SER A 67 -6.323 -4.362 -2.894 1.00 0.00 N ATOM 870 CA SER A 67 -7.161 -5.077 -1.954 1.00 0.00 C ATOM 871 C SER A 67 -8.650 -4.956 -2.311 1.00 0.00 C ATOM 872 O SER A 67 -9.496 -5.637 -1.722 1.00 0.00 O ATOM 873 CB SER A 67 -6.889 -4.581 -0.528 1.00 0.00 C ATOM 874 OG SER A 67 -5.526 -4.782 -0.168 1.00 0.00 O ATOM 0 H SER A 67 -5.979 -3.466 -2.549 1.00 0.00 H new ATOM 0 HA SER A 67 -6.909 -6.136 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.136 -3.522 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.535 -5.108 0.174 1.00 0.00 H new ATOM 0 HG SER A 67 -5.474 -5.080 0.764 1.00 0.00 H new ATOM 880 N LEU A 68 -8.968 -4.121 -3.302 1.00 0.00 N ATOM 881 CA LEU A 68 -10.354 -3.935 -3.731 1.00 0.00 C ATOM 882 C LEU A 68 -10.705 -4.947 -4.819 1.00 0.00 C ATOM 883 O LEU A 68 -11.803 -5.506 -4.832 1.00 0.00 O ATOM 884 CB LEU A 68 -10.574 -2.517 -4.263 1.00 0.00 C ATOM 885 CG LEU A 68 -11.838 -1.814 -3.766 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.794 -0.343 -4.131 1.00 0.00 C ATOM 887 CD2 LEU A 68 -13.075 -2.462 -4.349 1.00 0.00 C ATOM 0 H LEU A 68 -8.287 -3.565 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.000 -4.089 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.711 -1.909 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.607 -2.558 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.881 -1.908 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.699 0.148 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.922 0.121 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.729 -0.239 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.963 -1.947 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.041 -2.398 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.113 -3.509 -4.048 1.00 0.00 H new ATOM 899 N LEU A 69 -9.770 -5.177 -5.742 1.00 0.00 N ATOM 900 CA LEU A 69 -9.992 -6.131 -6.821 1.00 0.00 C ATOM 901 C LEU A 69 -10.232 -7.516 -6.227 1.00 0.00 C ATOM 902 O LEU A 69 -11.046 -8.291 -6.726 1.00 0.00 O ATOM 903 CB LEU A 69 -8.788 -6.164 -7.772 1.00 0.00 C ATOM 904 CG LEU A 69 -8.398 -4.816 -8.396 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.945 -4.816 -8.856 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.314 -4.485 -9.558 1.00 0.00 C ATOM 0 H LEU A 69 -8.859 -4.718 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.867 -5.823 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.928 -6.554 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.002 -6.868 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.509 -4.051 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.702 -3.847 -9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.293 -5.003 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.800 -5.597 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.024 -3.527 -9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.234 -5.263 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.344 -4.427 -9.205 1.00 0.00 H new ATOM 918 N GLY A 70 -9.524 -7.802 -5.137 1.00 0.00 N ATOM 919 CA GLY A 70 -9.675 -9.073 -4.469 1.00 0.00 C ATOM 920 C GLY A 70 -11.092 -9.283 -3.978 1.00 0.00 C ATOM 921 O GLY A 70 -11.666 -10.343 -4.194 1.00 0.00 O ATOM 0 H GLY A 70 -8.848 -7.171 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.404 -9.878 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.986 -9.125 -3.626 1.00 0.00 H new ATOM 925 N LEU A 71 -11.658 -8.266 -3.325 1.00 0.00 N ATOM 926 CA LEU A 71 -13.025 -8.346 -2.813 1.00 0.00 C ATOM 927 C LEU A 71 -14.001 -8.677 -3.935 1.00 0.00 C ATOM 928 O LEU A 71 -14.895 -9.509 -3.765 1.00 0.00 O ATOM 929 CB LEU A 71 -13.448 -7.033 -2.151 1.00 0.00 C ATOM 930 CG LEU A 71 -12.695 -6.645 -0.874 1.00 0.00 C ATOM 931 CD1 LEU A 71 -13.342 -5.428 -0.223 1.00 0.00 C ATOM 932 CD2 LEU A 71 -12.655 -7.806 0.107 1.00 0.00 C ATOM 0 H LEU A 71 -11.190 -7.379 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.046 -9.140 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.328 -6.229 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.511 -7.094 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.671 -6.394 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.795 -5.166 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.318 -4.588 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.376 -5.659 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.115 -7.505 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.672 -8.092 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.149 -8.654 -0.354 1.00 0.00 H new ATOM 944 N LYS A 72 -13.832 -8.015 -5.076 1.00 0.00 N ATOM 945 CA LYS A 72 -14.686 -8.258 -6.232 1.00 0.00 C ATOM 946 C LYS A 72 -14.546 -9.706 -6.702 1.00 0.00 C ATOM 947 O LYS A 72 -15.535 -10.375 -6.994 1.00 0.00 O ATOM 948 CB LYS A 72 -14.331 -7.298 -7.366 1.00 0.00 C ATOM 949 CG LYS A 72 -14.741 -5.858 -7.098 1.00 0.00 C ATOM 950 CD LYS A 72 -14.158 -4.926 -8.148 1.00 0.00 C ATOM 951 CE LYS A 72 -14.631 -3.492 -7.970 1.00 0.00 C ATOM 952 NZ LYS A 72 -16.027 -3.304 -8.448 1.00 0.00 N ATOM 0 H LYS A 72 -13.112 -7.307 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.722 -8.085 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.255 -7.334 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.812 -7.639 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.828 -5.779 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.400 -5.556 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.070 -4.957 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.439 -5.279 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.568 -3.217 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.967 -2.821 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.023 -2.728 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.452 -4.231 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.583 -2.821 -7.714 1.00 0.00 H new ATOM 966 N ASP A 73 -13.308 -10.183 -6.762 1.00 0.00 N ATOM 967 CA ASP A 73 -13.023 -11.552 -7.189 1.00 0.00 C ATOM 968 C ASP A 73 -13.552 -12.583 -6.177 1.00 0.00 C ATOM 969 O ASP A 73 -14.131 -13.600 -6.563 1.00 0.00 O ATOM 970 CB ASP A 73 -11.513 -11.726 -7.395 1.00 0.00 C ATOM 971 CG ASP A 73 -11.106 -13.173 -7.594 1.00 0.00 C ATOM 972 OD1 ASP A 73 -11.489 -13.769 -8.622 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.383 -13.715 -6.730 1.00 0.00 O ATOM 0 H ASP A 73 -12.480 -9.640 -6.519 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.539 -11.729 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.201 -11.144 -8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.985 -11.321 -6.532 1.00 0.00 H new ATOM 978 N GLN A 74 -13.369 -12.302 -4.887 1.00 0.00 N ATOM 979 CA GLN A 74 -13.817 -13.196 -3.822 1.00 0.00 C ATOM 980 C GLN A 74 -15.333 -13.363 -3.837 1.00 0.00 C ATOM 981 O GLN A 74 -15.848 -14.460 -3.617 1.00 0.00 O ATOM 982 CB GLN A 74 -13.372 -12.658 -2.455 1.00 0.00 C ATOM 983 CG GLN A 74 -11.864 -12.647 -2.260 1.00 0.00 C ATOM 984 CD GLN A 74 -11.290 -14.000 -1.898 1.00 0.00 C ATOM 985 OE1 GLN A 74 -11.839 -15.047 -2.243 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.183 -13.979 -1.176 1.00 0.00 N ATOM 0 H GLN A 74 -12.909 -11.455 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.363 -14.171 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.752 -11.644 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.826 -13.265 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.390 -12.294 -3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.613 -11.933 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.763 -13.088 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.749 -14.854 -0.882 1.00 0.00 H new ATOM 995 N VAL A 75 -16.049 -12.277 -4.093 1.00 0.00 N ATOM 996 CA VAL A 75 -17.497 -12.332 -4.133 1.00 0.00 C ATOM 997 C VAL A 75 -17.973 -12.918 -5.465 1.00 0.00 C ATOM 998 O VAL A 75 -19.127 -13.314 -5.612 1.00 0.00 O ATOM 999 CB VAL A 75 -18.117 -10.938 -3.892 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -18.062 -10.080 -5.146 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.545 -11.068 -3.372 1.00 0.00 C ATOM 0 H VAL A 75 -15.651 -11.355 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.833 -12.986 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.523 -10.434 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.507 -9.106 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -17.024 -9.948 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.616 -10.570 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.964 -10.075 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.151 -11.602 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.541 -11.620 -2.432 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.058 -12.996 -6.426 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.367 -13.542 -7.738 1.00 0.00 C ATOM 1013 C ASN A 76 -17.105 -15.044 -7.755 1.00 0.00 C ATOM 1014 O ASN A 76 -17.467 -15.741 -8.702 1.00 0.00 O ATOM 1015 CB ASN A 76 -16.528 -12.855 -8.818 1.00 0.00 C ATOM 1016 CG ASN A 76 -17.319 -11.843 -9.636 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -17.955 -12.188 -10.631 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.284 -10.585 -9.228 1.00 0.00 N ATOM 0 H ASN A 76 -16.092 -12.686 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.421 -13.360 -7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.683 -12.352 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.117 -13.612 -9.486 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.794 -9.867 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.747 -10.333 -8.399 1.00 0.00 H new ATOM 1025 N THR A 77 -16.459 -15.533 -6.701 1.00 0.00 N ATOM 1026 CA THR A 77 -16.156 -16.947 -6.578 1.00 0.00 C ATOM 1027 C THR A 77 -17.334 -17.682 -5.943 1.00 0.00 C ATOM 1028 O THR A 77 -17.875 -17.243 -4.926 1.00 0.00 O ATOM 1029 CB THR A 77 -14.888 -17.174 -5.735 1.00 0.00 C ATOM 1030 OG1 THR A 77 -13.862 -16.254 -6.136 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.381 -18.600 -5.894 1.00 0.00 C ATOM 0 H THR A 77 -16.136 -14.964 -5.918 1.00 0.00 H new ATOM 0 HA THR A 77 -15.978 -17.340 -7.579 1.00 0.00 H new ATOM 0 HB THR A 77 -15.140 -17.007 -4.688 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.199 -15.337 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.485 -18.737 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.151 -19.299 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.144 -18.787 -6.941 1.00 0.00 H new ATOM 1039 N VAL A 78 -17.734 -18.783 -6.559 1.00 0.00 N ATOM 1040 CA VAL A 78 -18.852 -19.581 -6.065 1.00 0.00 C ATOM 1041 C VAL A 78 -18.557 -20.163 -4.685 1.00 0.00 C ATOM 1042 O VAL A 78 -19.304 -19.845 -3.737 1.00 0.00 O ATOM 1043 CB VAL A 78 -19.217 -20.721 -7.039 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -20.117 -20.207 -8.147 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -17.967 -21.354 -7.630 1.00 0.00 C ATOM 1046 OXT VAL A 78 -17.568 -20.915 -4.544 1.00 0.00 O ATOM 0 H VAL A 78 -17.300 -19.148 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 78 -19.704 -18.905 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.754 -21.484 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.364 -21.025 -8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -21.033 -19.805 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.601 -19.422 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.252 -22.154 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.399 -20.599 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.352 -21.763 -6.828 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 10.134 7.224 9.123 1.00 0.00 N ATOM 1058 CA GLY B 28 9.410 6.042 9.647 1.00 0.00 C ATOM 1059 C GLY B 28 10.285 4.804 9.694 1.00 0.00 C ATOM 1060 O GLY B 28 10.337 4.110 10.711 1.00 0.00 O ATOM 0 HA2 GLY B 28 9.040 6.260 10.649 1.00 0.00 H new ATOM 0 HA3 GLY B 28 8.540 5.845 9.021 1.00 0.00 H new ATOM 1064 N MET B 29 10.990 4.537 8.602 1.00 0.00 N ATOM 1065 CA MET B 29 11.861 3.374 8.523 1.00 0.00 C ATOM 1066 C MET B 29 13.268 3.770 8.078 1.00 0.00 C ATOM 1067 O MET B 29 13.980 2.974 7.469 1.00 0.00 O ATOM 1068 CB MET B 29 11.280 2.329 7.563 1.00 0.00 C ATOM 1069 CG MET B 29 11.010 2.856 6.162 1.00 0.00 C ATOM 1070 SD MET B 29 10.852 1.533 4.949 1.00 0.00 S ATOM 1071 CE MET B 29 10.120 2.419 3.577 1.00 0.00 C ATOM 0 H MET B 29 10.975 5.111 7.759 1.00 0.00 H new ATOM 0 HA MET B 29 11.926 2.939 9.520 1.00 0.00 H new ATOM 0 HB2 MET B 29 11.971 1.488 7.497 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.349 1.945 7.981 1.00 0.00 H new ATOM 0 HG2 MET B 29 10.096 3.449 6.170 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.820 3.523 5.865 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.702 1.707 2.866 1.00 0.00 H new ATOM 0 HE2 MET B 29 9.328 3.071 3.946 1.00 0.00 H new ATOM 0 HE3 MET B 29 10.884 3.020 3.083 1.00 0.00 H new ATOM 1081 N SER B 30 13.670 4.994 8.401 1.00 0.00 N ATOM 1082 CA SER B 30 14.994 5.486 8.036 1.00 0.00 C ATOM 1083 C SER B 30 16.080 4.607 8.658 1.00 0.00 C ATOM 1084 O SER B 30 16.968 4.116 7.960 1.00 0.00 O ATOM 1085 CB SER B 30 15.153 6.937 8.492 1.00 0.00 C ATOM 1086 OG SER B 30 13.895 7.596 8.517 1.00 0.00 O ATOM 0 H SER B 30 13.098 5.664 8.915 1.00 0.00 H new ATOM 0 HA SER B 30 15.100 5.444 6.952 1.00 0.00 H new ATOM 0 HB2 SER B 30 15.603 6.964 9.484 1.00 0.00 H new ATOM 0 HB3 SER B 30 15.831 7.463 7.820 1.00 0.00 H new ATOM 0 HG SER B 30 13.549 7.676 7.604 1.00 0.00 H new ATOM 1092 N ALA B 31 15.998 4.413 9.974 1.00 0.00 N ATOM 1093 CA ALA B 31 16.953 3.574 10.699 1.00 0.00 C ATOM 1094 C ALA B 31 16.974 2.157 10.131 1.00 0.00 C ATOM 1095 O ALA B 31 18.009 1.493 10.121 1.00 0.00 O ATOM 1096 CB ALA B 31 16.607 3.537 12.179 1.00 0.00 C ATOM 0 H ALA B 31 15.276 4.828 10.563 1.00 0.00 H new ATOM 0 HA ALA B 31 17.945 4.008 10.578 1.00 0.00 H new ATOM 0 HB1 ALA B 31 17.326 2.909 12.705 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.641 4.548 12.586 1.00 0.00 H new ATOM 0 HB3 ALA B 31 15.605 3.128 12.308 1.00 0.00 H new ATOM 1102 N TRP B 32 15.823 1.713 9.652 1.00 0.00 N ATOM 1103 CA TRP B 32 15.682 0.388 9.065 1.00 0.00 C ATOM 1104 C TRP B 32 16.453 0.329 7.747 1.00 0.00 C ATOM 1105 O TRP B 32 17.341 -0.503 7.565 1.00 0.00 O ATOM 1106 CB TRP B 32 14.193 0.104 8.842 1.00 0.00 C ATOM 1107 CG TRP B 32 13.868 -1.302 8.440 1.00 0.00 C ATOM 1108 CD1 TRP B 32 13.548 -2.336 9.270 1.00 0.00 C ATOM 1109 CD2 TRP B 32 13.804 -1.823 7.107 1.00 0.00 C ATOM 1110 NE1 TRP B 32 13.284 -3.464 8.535 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.440 -3.176 7.206 1.00 0.00 C ATOM 1112 CE3 TRP B 32 14.021 -1.274 5.839 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.285 -3.988 6.087 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 13.869 -2.082 4.728 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.504 -3.427 4.859 1.00 0.00 C ATOM 0 H TRP B 32 14.961 2.259 9.659 1.00 0.00 H new ATOM 0 HA TRP B 32 16.091 -0.370 9.733 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.653 0.337 9.760 1.00 0.00 H new ATOM 0 HB3 TRP B 32 13.821 0.781 8.073 1.00 0.00 H new ATOM 0 HD1 TRP B 32 13.508 -2.276 10.348 1.00 0.00 H new ATOM 0 HE1 TRP B 32 13.015 -4.371 8.917 1.00 0.00 H new ATOM 0 HE3 TRP B 32 14.302 -0.237 5.730 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.002 -5.026 6.185 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 14.034 -1.669 3.744 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.393 -4.034 3.973 1.00 0.00 H new ATOM 1126 N LEU B 33 16.118 1.248 6.849 1.00 0.00 N ATOM 1127 CA LEU B 33 16.762 1.335 5.541 1.00 0.00 C ATOM 1128 C LEU B 33 18.262 1.611 5.670 1.00 0.00 C ATOM 1129 O LEU B 33 19.042 1.248 4.788 1.00 0.00 O ATOM 1130 CB LEU B 33 16.096 2.416 4.693 1.00 0.00 C ATOM 1131 CG LEU B 33 14.799 1.992 4.000 1.00 0.00 C ATOM 1132 CD1 LEU B 33 14.025 3.207 3.523 1.00 0.00 C ATOM 1133 CD2 LEU B 33 15.093 1.062 2.832 1.00 0.00 C ATOM 0 H LEU B 33 15.396 1.951 7.004 1.00 0.00 H new ATOM 0 HA LEU B 33 16.642 0.371 5.047 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.885 3.276 5.329 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.804 2.747 3.933 1.00 0.00 H new ATOM 0 HG LEU B 33 14.188 1.454 4.725 1.00 0.00 H new ATOM 0 HD11 LEU B 33 13.106 2.884 3.033 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.778 3.839 4.376 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.634 3.772 2.817 1.00 0.00 H new ATOM 0 HD21 LEU B 33 14.158 0.772 2.353 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.727 1.575 2.109 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.605 0.171 3.196 1.00 0.00 H new ATOM 1145 N ARG B 34 18.654 2.283 6.757 1.00 0.00 N ATOM 1146 CA ARG B 34 20.064 2.586 7.035 1.00 0.00 C ATOM 1147 C ARG B 34 20.921 1.315 7.037 1.00 0.00 C ATOM 1148 O ARG B 34 22.132 1.375 6.828 1.00 0.00 O ATOM 1149 CB ARG B 34 20.192 3.299 8.389 1.00 0.00 C ATOM 1150 CG ARG B 34 21.624 3.643 8.779 1.00 0.00 C ATOM 1151 CD ARG B 34 21.984 5.065 8.385 1.00 0.00 C ATOM 1152 NE ARG B 34 21.387 6.042 9.293 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.747 7.142 8.901 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.609 7.423 7.611 1.00 0.00 N ATOM 1155 NH2 ARG B 34 20.235 7.959 9.809 1.00 0.00 N ATOM 0 H ARG B 34 18.008 2.631 7.466 1.00 0.00 H new ATOM 0 HA ARG B 34 20.427 3.239 6.242 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.604 4.217 8.361 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.758 2.666 9.163 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.748 3.520 9.855 1.00 0.00 H new ATOM 0 HG3 ARG B 34 22.310 2.946 8.297 1.00 0.00 H new ATOM 0 HD2 ARG B 34 23.068 5.180 8.387 1.00 0.00 H new ATOM 0 HD3 ARG B 34 21.645 5.258 7.367 1.00 0.00 H new ATOM 0 HE ARG B 34 21.466 5.870 10.295 1.00 0.00 H new ATOM 0 HH11 ARG B 34 20.995 6.793 6.908 1.00 0.00 H new ATOM 0 HH12 ARG B 34 20.117 8.269 7.323 1.00 0.00 H new ATOM 0 HH21 ARG B 34 20.332 7.744 10.801 1.00 0.00 H new ATOM 0 HH22 ARG B 34 19.744 8.803 9.516 1.00 0.00 H new ATOM 1169 N ALA B 35 20.271 0.173 7.250 1.00 0.00 N ATOM 1170 CA ALA B 35 20.959 -1.117 7.274 1.00 0.00 C ATOM 1171 C ALA B 35 21.715 -1.340 5.968 1.00 0.00 C ATOM 1172 O ALA B 35 22.805 -1.912 5.951 1.00 0.00 O ATOM 1173 CB ALA B 35 19.968 -2.247 7.518 1.00 0.00 C ATOM 0 H ALA B 35 19.265 0.114 7.409 1.00 0.00 H new ATOM 0 HA ALA B 35 21.678 -1.110 8.093 1.00 0.00 H new ATOM 0 HB1 ALA B 35 20.498 -3.199 7.533 1.00 0.00 H new ATOM 0 HB2 ALA B 35 19.470 -2.094 8.476 1.00 0.00 H new ATOM 0 HB3 ALA B 35 19.225 -2.258 6.721 1.00 0.00 H new ATOM 1179 N ILE B 36 21.131 -0.867 4.876 1.00 0.00 N ATOM 1180 CA ILE B 36 21.740 -0.989 3.560 1.00 0.00 C ATOM 1181 C ILE B 36 21.975 0.391 2.951 1.00 0.00 C ATOM 1182 O ILE B 36 22.150 0.529 1.741 1.00 0.00 O ATOM 1183 CB ILE B 36 20.860 -1.823 2.606 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.410 -1.329 2.640 1.00 0.00 C ATOM 1185 CG2 ILE B 36 20.932 -3.296 2.980 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.577 -1.801 1.467 1.00 0.00 C ATOM 0 H ILE B 36 20.229 -0.391 4.877 1.00 0.00 H new ATOM 0 HA ILE B 36 22.694 -1.500 3.689 1.00 0.00 H new ATOM 0 HB ILE B 36 21.237 -1.702 1.590 1.00 0.00 H new ATOM 0 HG12 ILE B 36 18.942 -1.666 3.565 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.407 -0.239 2.661 1.00 0.00 H new ATOM 0 HG21 ILE B 36 20.307 -3.875 2.300 1.00 0.00 H new ATOM 0 HG22 ILE B 36 21.964 -3.640 2.907 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.577 -3.430 4.002 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.563 -1.411 1.560 1.00 0.00 H new ATOM 0 HD12 ILE B 36 19.020 -1.441 0.538 1.00 0.00 H new ATOM 0 HD13 ILE B 36 18.547 -2.891 1.457 1.00 0.00 H new ATOM 1198 N GLY B 37 22.018 1.396 3.822 1.00 0.00 N ATOM 1199 CA GLY B 37 22.215 2.778 3.399 1.00 0.00 C ATOM 1200 C GLY B 37 21.295 3.216 2.269 1.00 0.00 C ATOM 1201 O GLY B 37 21.715 3.946 1.374 1.00 0.00 O ATOM 0 H GLY B 37 21.918 1.277 4.830 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.060 3.435 4.255 1.00 0.00 H new ATOM 0 HA3 GLY B 37 23.250 2.906 3.082 1.00 0.00 H new ATOM 1205 N LEU B 38 20.043 2.779 2.301 1.00 0.00 N ATOM 1206 CA LEU B 38 19.084 3.142 1.260 1.00 0.00 C ATOM 1207 C LEU B 38 17.952 3.984 1.843 1.00 0.00 C ATOM 1208 O LEU B 38 16.900 4.148 1.227 1.00 0.00 O ATOM 1209 CB LEU B 38 18.525 1.885 0.586 1.00 0.00 C ATOM 1210 CG LEU B 38 18.745 1.799 -0.928 1.00 0.00 C ATOM 1211 CD1 LEU B 38 20.223 1.637 -1.257 1.00 0.00 C ATOM 1212 CD2 LEU B 38 17.939 0.652 -1.518 1.00 0.00 C ATOM 0 H LEU B 38 19.667 2.175 3.032 1.00 0.00 H new ATOM 0 HA LEU B 38 19.602 3.737 0.508 1.00 0.00 H new ATOM 0 HB2 LEU B 38 18.979 1.011 1.052 1.00 0.00 H new ATOM 0 HB3 LEU B 38 17.454 1.832 0.784 1.00 0.00 H new ATOM 0 HG LEU B 38 18.400 2.732 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU B 38 20.351 1.579 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU B 38 20.777 2.493 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 38 20.600 0.724 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU B 38 18.107 0.605 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU B 38 18.253 -0.286 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.879 0.814 -1.323 1.00 0.00 H new ATOM 1224 N GLU B 39 18.189 4.519 3.037 1.00 0.00 N ATOM 1225 CA GLU B 39 17.213 5.352 3.745 1.00 0.00 C ATOM 1226 C GLU B 39 16.735 6.537 2.907 1.00 0.00 C ATOM 1227 O GLU B 39 15.614 7.011 3.074 1.00 0.00 O ATOM 1228 CB GLU B 39 17.806 5.855 5.067 1.00 0.00 C ATOM 1229 CG GLU B 39 18.848 6.956 4.909 1.00 0.00 C ATOM 1230 CD GLU B 39 20.182 6.445 4.411 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.384 6.399 3.179 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.032 6.089 5.253 1.00 0.00 O ATOM 0 H GLU B 39 19.064 4.389 3.545 1.00 0.00 H new ATOM 0 HA GLU B 39 16.345 4.724 3.944 1.00 0.00 H new ATOM 0 HB2 GLU B 39 16.997 6.224 5.697 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.260 5.014 5.591 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.471 7.707 4.215 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.991 7.452 5.869 1.00 0.00 H new ATOM 1239 N ARG B 40 17.574 7.002 1.992 1.00 0.00 N ATOM 1240 CA ARG B 40 17.227 8.141 1.149 1.00 0.00 C ATOM 1241 C ARG B 40 16.138 7.786 0.131 1.00 0.00 C ATOM 1242 O ARG B 40 15.673 8.643 -0.621 1.00 0.00 O ATOM 1243 CB ARG B 40 18.481 8.676 0.459 1.00 0.00 C ATOM 1244 CG ARG B 40 19.480 9.264 1.443 1.00 0.00 C ATOM 1245 CD ARG B 40 20.909 9.089 0.965 1.00 0.00 C ATOM 1246 NE ARG B 40 21.257 7.681 0.785 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.815 7.192 -0.322 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.107 7.999 -1.336 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.086 5.901 -0.414 1.00 0.00 N ATOM 0 H ARG B 40 18.499 6.610 1.813 1.00 0.00 H new ATOM 0 HA ARG B 40 16.816 8.924 1.785 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.957 7.870 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.196 9.440 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.271 10.324 1.584 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.360 8.784 2.414 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.043 9.619 0.022 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.590 9.542 1.685 1.00 0.00 H new ATOM 0 HE ARG B 40 21.062 7.036 1.550 1.00 0.00 H new ATOM 0 HH11 ARG B 40 21.904 8.996 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG B 40 22.534 7.621 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.868 5.277 0.363 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.513 5.529 -1.262 1.00 0.00 H new ATOM 1263 N TYR B 41 15.729 6.522 0.118 1.00 0.00 N ATOM 1264 CA TYR B 41 14.680 6.065 -0.784 1.00 0.00 C ATOM 1265 C TYR B 41 13.315 6.169 -0.107 1.00 0.00 C ATOM 1266 O TYR B 41 12.281 6.182 -0.777 1.00 0.00 O ATOM 1267 CB TYR B 41 14.933 4.622 -1.212 1.00 0.00 C ATOM 1268 CG TYR B 41 15.607 4.490 -2.558 1.00 0.00 C ATOM 1269 CD1 TYR B 41 14.858 4.393 -3.724 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.992 4.445 -2.663 1.00 0.00 C ATOM 1271 CE1 TYR B 41 15.469 4.252 -4.956 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.609 4.309 -3.891 1.00 0.00 C ATOM 1273 CZ TYR B 41 16.844 4.211 -5.033 1.00 0.00 C ATOM 1274 OH TYR B 41 17.458 4.060 -6.255 1.00 0.00 O ATOM 0 H TYR B 41 16.109 5.795 0.724 1.00 0.00 H new ATOM 0 HA TYR B 41 14.689 6.702 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.550 4.133 -0.458 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.982 4.090 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR B 41 13.780 4.428 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR B 41 17.595 4.518 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR B 41 14.872 4.174 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR B 41 18.687 4.280 -3.956 1.00 0.00 H new ATOM 0 HH TYR B 41 18.010 3.250 -6.246 1.00 0.00 H new ATOM 1284 N GLU B 42 13.327 6.240 1.227 1.00 0.00 N ATOM 1285 CA GLU B 42 12.102 6.347 2.031 1.00 0.00 C ATOM 1286 C GLU B 42 11.230 7.519 1.580 1.00 0.00 C ATOM 1287 O GLU B 42 10.011 7.495 1.729 1.00 0.00 O ATOM 1288 CB GLU B 42 12.471 6.518 3.504 1.00 0.00 C ATOM 1289 CG GLU B 42 11.272 6.540 4.435 1.00 0.00 C ATOM 1290 CD GLU B 42 11.657 6.735 5.885 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.770 7.228 6.158 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.841 6.394 6.765 1.00 0.00 O ATOM 0 H GLU B 42 14.183 6.225 1.781 1.00 0.00 H new ATOM 0 HA GLU B 42 11.528 5.431 1.893 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.135 5.705 3.800 1.00 0.00 H new ATOM 0 HB3 GLU B 42 13.030 7.446 3.624 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.598 7.341 4.132 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.722 5.605 4.333 1.00 0.00 H new ATOM 1299 N GLU B 43 11.876 8.528 1.019 1.00 0.00 N ATOM 1300 CA GLU B 43 11.176 9.711 0.534 1.00 0.00 C ATOM 1301 C GLU B 43 10.142 9.313 -0.519 1.00 0.00 C ATOM 1302 O GLU B 43 8.988 9.742 -0.471 1.00 0.00 O ATOM 1303 CB GLU B 43 12.160 10.724 -0.046 1.00 0.00 C ATOM 1304 CG GLU B 43 11.907 12.144 0.426 1.00 0.00 C ATOM 1305 CD GLU B 43 11.969 12.269 1.934 1.00 0.00 C ATOM 1306 OE1 GLU B 43 13.080 12.168 2.496 1.00 0.00 O ATOM 1307 OE2 GLU B 43 10.910 12.476 2.565 1.00 0.00 O ATOM 0 H GLU B 43 12.887 8.553 0.887 1.00 0.00 H new ATOM 0 HA GLU B 43 10.664 10.178 1.375 1.00 0.00 H new ATOM 0 HB2 GLU B 43 13.174 10.433 0.228 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.102 10.694 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU B 43 12.644 12.810 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU B 43 10.928 12.471 0.077 1.00 0.00 H new ATOM 1314 N GLY B 44 10.565 8.481 -1.463 1.00 0.00 N ATOM 1315 CA GLY B 44 9.667 8.024 -2.506 1.00 0.00 C ATOM 1316 C GLY B 44 8.677 6.999 -2.002 1.00 0.00 C ATOM 1317 O GLY B 44 7.535 6.945 -2.465 1.00 0.00 O ATOM 0 H GLY B 44 11.515 8.114 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.126 8.877 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY B 44 10.249 7.594 -3.321 1.00 0.00 H new ATOM 1321 N LEU B 45 9.102 6.214 -1.018 1.00 0.00 N ATOM 1322 CA LEU B 45 8.264 5.159 -0.438 1.00 0.00 C ATOM 1323 C LEU B 45 7.218 5.723 0.529 1.00 0.00 C ATOM 1324 O LEU B 45 6.653 4.993 1.340 1.00 0.00 O ATOM 1325 CB LEU B 45 9.142 4.135 0.292 1.00 0.00 C ATOM 1326 CG LEU B 45 10.006 3.248 -0.609 1.00 0.00 C ATOM 1327 CD1 LEU B 45 11.322 2.911 0.074 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.260 1.973 -0.973 1.00 0.00 C ATOM 0 H LEU B 45 10.029 6.286 -0.599 1.00 0.00 H new ATOM 0 HA LEU B 45 7.733 4.675 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.796 4.669 0.982 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.498 3.494 0.894 1.00 0.00 H new ATOM 0 HG LEU B 45 10.223 3.799 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.921 2.280 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.866 3.831 0.290 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.123 2.380 1.005 1.00 0.00 H new ATOM 0 HD21 LEU B 45 9.888 1.354 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.015 1.423 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.342 2.227 -1.502 1.00 0.00 H new ATOM 1340 N VAL B 46 6.936 7.014 0.420 1.00 0.00 N ATOM 1341 CA VAL B 46 5.963 7.661 1.292 1.00 0.00 C ATOM 1342 C VAL B 46 4.637 7.853 0.555 1.00 0.00 C ATOM 1343 O VAL B 46 3.563 7.903 1.162 1.00 0.00 O ATOM 1344 CB VAL B 46 6.509 9.020 1.806 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.390 9.984 2.186 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.433 8.794 2.992 1.00 0.00 C ATOM 0 H VAL B 46 7.367 7.635 -0.264 1.00 0.00 H new ATOM 0 HA VAL B 46 5.788 7.019 2.155 1.00 0.00 H new ATOM 0 HB VAL B 46 7.068 9.478 0.990 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.821 10.921 2.540 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.765 10.178 1.314 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.783 9.543 2.976 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.812 9.753 3.346 1.00 0.00 H new ATOM 0 HG22 VAL B 46 6.882 8.303 3.794 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.269 8.164 2.687 1.00 0.00 H new ATOM 1356 N HIS B 47 4.714 7.904 -0.768 1.00 0.00 N ATOM 1357 CA HIS B 47 3.529 8.102 -1.599 1.00 0.00 C ATOM 1358 C HIS B 47 2.697 6.831 -1.690 1.00 0.00 C ATOM 1359 O HIS B 47 1.537 6.872 -2.094 1.00 0.00 O ATOM 1360 CB HIS B 47 3.926 8.529 -3.013 1.00 0.00 C ATOM 1361 CG HIS B 47 4.952 9.622 -3.055 1.00 0.00 C ATOM 1362 ND1 HIS B 47 6.312 9.399 -3.103 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.795 10.970 -3.050 1.00 0.00 C ATOM 1364 CE1 HIS B 47 6.924 10.589 -3.123 1.00 0.00 C ATOM 1365 NE2 HIS B 47 6.047 11.575 -3.093 1.00 0.00 N ATOM 0 H HIS B 47 5.585 7.811 -1.291 1.00 0.00 H new ATOM 0 HA HIS B 47 2.935 8.886 -1.128 1.00 0.00 H new ATOM 0 HB2 HIS B 47 4.312 7.662 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS B 47 3.034 8.861 -3.545 1.00 0.00 H new ATOM 0 HD1 HIS B 47 6.771 8.488 -3.120 1.00 0.00 H new ATOM 0 HD2 HIS B 47 3.849 11.490 -3.018 1.00 0.00 H new ATOM 0 HE1 HIS B 47 7.995 10.725 -3.159 1.00 0.00 H new ATOM 1373 N ASN B 48 3.298 5.706 -1.329 1.00 0.00 N ATOM 1374 CA ASN B 48 2.617 4.418 -1.401 1.00 0.00 C ATOM 1375 C ASN B 48 2.115 3.959 -0.043 1.00 0.00 C ATOM 1376 O ASN B 48 1.387 2.972 0.049 1.00 0.00 O ATOM 1377 CB ASN B 48 3.544 3.350 -1.990 1.00 0.00 C ATOM 1378 CG ASN B 48 4.691 3.938 -2.791 1.00 0.00 C ATOM 1379 OD1 ASN B 48 5.664 4.437 -2.226 1.00 0.00 O ATOM 1380 ND2 ASN B 48 4.596 3.869 -4.108 1.00 0.00 N ATOM 0 H ASN B 48 4.256 5.658 -0.983 1.00 0.00 H new ATOM 0 HA ASN B 48 1.753 4.554 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN B 48 3.947 2.741 -1.181 1.00 0.00 H new ATOM 0 HB3 ASN B 48 2.964 2.686 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN B 48 5.346 4.237 -4.693 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.773 3.448 -4.539 1.00 0.00 H new ATOM 1387 N GLY B 49 2.493 4.671 1.005 1.00 0.00 N ATOM 1388 CA GLY B 49 2.057 4.297 2.335 1.00 0.00 C ATOM 1389 C GLY B 49 2.962 3.267 2.980 1.00 0.00 C ATOM 1390 O GLY B 49 2.545 2.547 3.883 1.00 0.00 O ATOM 0 H GLY B 49 3.090 5.497 0.961 1.00 0.00 H new ATOM 0 HA2 GLY B 49 2.020 5.186 2.964 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.043 3.901 2.282 1.00 0.00 H new ATOM 1394 N TRP B 50 4.208 3.200 2.524 1.00 0.00 N ATOM 1395 CA TRP B 50 5.171 2.256 3.082 1.00 0.00 C ATOM 1396 C TRP B 50 5.836 2.855 4.318 1.00 0.00 C ATOM 1397 O TRP B 50 7.043 2.735 4.513 1.00 0.00 O ATOM 1398 CB TRP B 50 6.232 1.880 2.043 1.00 0.00 C ATOM 1399 CG TRP B 50 5.699 1.078 0.894 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.709 1.433 -0.420 1.00 0.00 C ATOM 1401 CD2 TRP B 50 5.084 -0.215 0.956 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.133 0.445 -1.181 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.743 -0.577 -0.361 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.789 -1.103 1.993 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.123 -1.785 -0.665 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 4.174 -2.301 1.689 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.847 -2.633 0.369 1.00 0.00 C ATOM 0 H TRP B 50 4.574 3.785 1.773 1.00 0.00 H new ATOM 0 HA TRP B 50 4.636 1.350 3.368 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.687 2.792 1.657 1.00 0.00 H new ATOM 0 HB3 TRP B 50 7.022 1.312 2.534 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.111 2.357 -0.808 1.00 0.00 H new ATOM 0 HE1 TRP B 50 5.015 0.470 -2.194 1.00 0.00 H new ATOM 0 HE3 TRP B 50 5.038 -0.857 3.015 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 3.869 -2.043 -1.683 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 3.941 -2.994 2.484 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.367 -3.579 0.164 1.00 0.00 H new ATOM 1418 N ASP B 51 5.030 3.496 5.151 1.00 0.00 N ATOM 1419 CA ASP B 51 5.520 4.122 6.372 1.00 0.00 C ATOM 1420 C ASP B 51 5.498 3.109 7.514 1.00 0.00 C ATOM 1421 O ASP B 51 6.036 3.345 8.599 1.00 0.00 O ATOM 1422 CB ASP B 51 4.678 5.373 6.690 1.00 0.00 C ATOM 1423 CG ASP B 51 3.857 5.267 7.965 1.00 0.00 C ATOM 1424 OD1 ASP B 51 2.832 4.561 7.964 1.00 0.00 O ATOM 1425 OD2 ASP B 51 4.223 5.924 8.966 1.00 0.00 O ATOM 0 H ASP B 51 4.026 3.597 5.003 1.00 0.00 H new ATOM 0 HA ASP B 51 6.552 4.446 6.238 1.00 0.00 H new ATOM 0 HB2 ASP B 51 5.343 6.233 6.770 1.00 0.00 H new ATOM 0 HB3 ASP B 51 4.006 5.566 5.854 1.00 0.00 H new ATOM 1430 N ASP B 52 4.904 1.960 7.231 1.00 0.00 N ATOM 1431 CA ASP B 52 4.789 0.880 8.197 1.00 0.00 C ATOM 1432 C ASP B 52 5.668 -0.300 7.781 1.00 0.00 C ATOM 1433 O ASP B 52 5.858 -0.552 6.592 1.00 0.00 O ATOM 1434 CB ASP B 52 3.326 0.448 8.311 1.00 0.00 C ATOM 1435 CG ASP B 52 3.175 -0.979 8.784 1.00 0.00 C ATOM 1436 OD1 ASP B 52 3.435 -1.245 9.976 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.804 -1.841 7.963 1.00 0.00 O ATOM 0 H ASP B 52 4.488 1.750 6.324 1.00 0.00 H new ATOM 0 HA ASP B 52 5.131 1.231 9.171 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.808 1.112 9.003 1.00 0.00 H new ATOM 0 HB3 ASP B 52 2.842 0.558 7.340 1.00 0.00 H new ATOM 1442 N LEU B 53 6.198 -1.022 8.763 1.00 0.00 N ATOM 1443 CA LEU B 53 7.070 -2.160 8.494 1.00 0.00 C ATOM 1444 C LEU B 53 6.280 -3.465 8.366 1.00 0.00 C ATOM 1445 O LEU B 53 6.756 -4.424 7.754 1.00 0.00 O ATOM 1446 CB LEU B 53 8.120 -2.293 9.601 1.00 0.00 C ATOM 1447 CG LEU B 53 9.118 -1.137 9.698 1.00 0.00 C ATOM 1448 CD1 LEU B 53 9.959 -1.266 10.956 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.011 -1.099 8.466 1.00 0.00 C ATOM 0 H LEU B 53 6.039 -0.839 9.754 1.00 0.00 H new ATOM 0 HA LEU B 53 7.566 -1.976 7.541 1.00 0.00 H new ATOM 0 HB2 LEU B 53 7.606 -2.388 10.557 1.00 0.00 H new ATOM 0 HB3 LEU B 53 8.675 -3.218 9.444 1.00 0.00 H new ATOM 0 HG LEU B 53 8.559 -0.203 9.749 1.00 0.00 H new ATOM 0 HD11 LEU B 53 10.663 -0.436 11.009 1.00 0.00 H new ATOM 0 HD12 LEU B 53 9.310 -1.248 11.831 1.00 0.00 H new ATOM 0 HD13 LEU B 53 10.508 -2.207 10.931 1.00 0.00 H new ATOM 0 HD21 LEU B 53 10.714 -0.271 8.552 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.562 -2.036 8.387 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.397 -0.963 7.576 1.00 0.00 H new ATOM 1461 N GLU B 54 5.071 -3.494 8.920 1.00 0.00 N ATOM 1462 CA GLU B 54 4.239 -4.694 8.873 1.00 0.00 C ATOM 1463 C GLU B 54 3.864 -5.059 7.442 1.00 0.00 C ATOM 1464 O GLU B 54 4.161 -6.159 6.979 1.00 0.00 O ATOM 1465 CB GLU B 54 2.972 -4.515 9.709 1.00 0.00 C ATOM 1466 CG GLU B 54 3.238 -4.349 11.194 1.00 0.00 C ATOM 1467 CD GLU B 54 1.995 -4.561 12.029 1.00 0.00 C ATOM 1468 OE1 GLU B 54 0.897 -4.156 11.593 1.00 0.00 O ATOM 1469 OE2 GLU B 54 2.109 -5.140 13.129 1.00 0.00 O ATOM 0 H GLU B 54 4.646 -2.704 9.405 1.00 0.00 H new ATOM 0 HA GLU B 54 4.829 -5.509 9.293 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.429 -3.642 9.347 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.324 -5.379 9.559 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.006 -5.057 11.504 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.632 -3.350 11.380 1.00 0.00 H new ATOM 1476 N PHE B 55 3.227 -4.136 6.731 1.00 0.00 N ATOM 1477 CA PHE B 55 2.826 -4.399 5.354 1.00 0.00 C ATOM 1478 C PHE B 55 4.051 -4.425 4.449 1.00 0.00 C ATOM 1479 O PHE B 55 4.047 -5.065 3.398 1.00 0.00 O ATOM 1480 CB PHE B 55 1.809 -3.365 4.858 1.00 0.00 C ATOM 1481 CG PHE B 55 0.945 -3.871 3.729 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.025 -4.888 3.941 1.00 0.00 C ATOM 1483 CD2 PHE B 55 1.059 -3.336 2.456 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.762 -5.359 2.905 1.00 0.00 C ATOM 1485 CE2 PHE B 55 0.276 -3.804 1.416 1.00 0.00 C ATOM 1486 CZ PHE B 55 -0.636 -4.816 1.640 1.00 0.00 C ATOM 0 H PHE B 55 2.979 -3.210 7.079 1.00 0.00 H new ATOM 0 HA PHE B 55 2.342 -5.375 5.323 1.00 0.00 H new ATOM 0 HB2 PHE B 55 1.170 -3.066 5.689 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.340 -2.473 4.528 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -0.078 -5.317 4.927 1.00 0.00 H new ATOM 0 HD2 PHE B 55 1.769 -2.543 2.273 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -1.474 -6.151 3.085 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.378 -3.378 0.429 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.249 -5.182 0.830 1.00 0.00 H new ATOM 1496 N LEU B 56 5.112 -3.744 4.878 1.00 0.00 N ATOM 1497 CA LEU B 56 6.357 -3.703 4.120 1.00 0.00 C ATOM 1498 C LEU B 56 6.993 -5.088 4.083 1.00 0.00 C ATOM 1499 O LEU B 56 7.809 -5.391 3.216 1.00 0.00 O ATOM 1500 CB LEU B 56 7.332 -2.695 4.736 1.00 0.00 C ATOM 1501 CG LEU B 56 8.627 -2.469 3.948 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.366 -1.618 2.716 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.680 -1.819 4.830 1.00 0.00 C ATOM 0 H LEU B 56 5.132 -3.213 5.748 1.00 0.00 H new ATOM 0 HA LEU B 56 6.130 -3.387 3.102 1.00 0.00 H new ATOM 0 HB2 LEU B 56 6.820 -1.739 4.843 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.591 -3.032 5.740 1.00 0.00 H new ATOM 0 HG LEU B 56 9.001 -3.439 3.620 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.299 -1.470 2.172 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.646 -2.122 2.072 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.966 -0.651 3.020 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.593 -1.666 4.254 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.312 -0.858 5.188 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.892 -2.466 5.681 1.00 0.00 H new ATOM 1515 N SER B 57 6.586 -5.942 5.016 1.00 0.00 N ATOM 1516 CA SER B 57 7.106 -7.298 5.095 1.00 0.00 C ATOM 1517 C SER B 57 6.553 -8.168 3.960 1.00 0.00 C ATOM 1518 O SER B 57 6.922 -9.336 3.823 1.00 0.00 O ATOM 1519 CB SER B 57 6.757 -7.914 6.452 1.00 0.00 C ATOM 1520 OG SER B 57 7.223 -7.101 7.520 1.00 0.00 O ATOM 0 H SER B 57 5.894 -5.715 5.730 1.00 0.00 H new ATOM 0 HA SER B 57 8.190 -7.255 4.990 1.00 0.00 H new ATOM 0 HB2 SER B 57 5.677 -8.039 6.531 1.00 0.00 H new ATOM 0 HB3 SER B 57 7.199 -8.907 6.528 1.00 0.00 H new ATOM 0 HG SER B 57 6.838 -6.204 7.440 1.00 0.00 H new ATOM 1526 N ASP B 58 5.665 -7.598 3.151 1.00 0.00 N ATOM 1527 CA ASP B 58 5.076 -8.323 2.030 1.00 0.00 C ATOM 1528 C ASP B 58 5.217 -7.515 0.743 1.00 0.00 C ATOM 1529 O ASP B 58 4.479 -7.723 -0.220 1.00 0.00 O ATOM 1530 CB ASP B 58 3.599 -8.632 2.304 1.00 0.00 C ATOM 1531 CG ASP B 58 3.069 -9.759 1.435 1.00 0.00 C ATOM 1532 OD1 ASP B 58 3.723 -10.825 1.370 1.00 0.00 O ATOM 1533 OD2 ASP B 58 1.991 -9.593 0.825 1.00 0.00 O ATOM 0 H ASP B 58 5.338 -6.637 3.251 1.00 0.00 H new ATOM 0 HA ASP B 58 5.610 -9.266 1.912 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.476 -8.898 3.354 1.00 0.00 H new ATOM 0 HB3 ASP B 58 3.005 -7.734 2.131 1.00 0.00 H new ATOM 1538 N ILE B 59 6.176 -6.594 0.733 1.00 0.00 N ATOM 1539 CA ILE B 59 6.411 -5.760 -0.438 1.00 0.00 C ATOM 1540 C ILE B 59 7.032 -6.588 -1.564 1.00 0.00 C ATOM 1541 O ILE B 59 7.982 -7.346 -1.348 1.00 0.00 O ATOM 1542 CB ILE B 59 7.309 -4.536 -0.101 1.00 0.00 C ATOM 1543 CG1 ILE B 59 7.327 -3.549 -1.269 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.729 -4.966 0.254 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.958 -2.214 -0.932 1.00 0.00 C ATOM 0 H ILE B 59 6.799 -6.408 1.519 1.00 0.00 H new ATOM 0 HA ILE B 59 5.447 -5.377 -0.772 1.00 0.00 H new ATOM 0 HB ILE B 59 6.883 -4.042 0.772 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.869 -3.996 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE B 59 6.304 -3.382 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.329 -4.086 0.484 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.703 -5.624 1.122 1.00 0.00 H new ATOM 0 HG23 ILE B 59 9.171 -5.496 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.934 -1.568 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE B 59 7.403 -1.744 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.992 -2.368 -0.623 1.00 0.00 H new ATOM 1557 N THR B 60 6.466 -6.479 -2.754 1.00 0.00 N ATOM 1558 CA THR B 60 6.970 -7.217 -3.897 1.00 0.00 C ATOM 1559 C THR B 60 7.903 -6.344 -4.723 1.00 0.00 C ATOM 1560 O THR B 60 8.046 -5.145 -4.458 1.00 0.00 O ATOM 1561 CB THR B 60 5.820 -7.715 -4.798 1.00 0.00 C ATOM 1562 OG1 THR B 60 5.140 -6.599 -5.389 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.830 -8.555 -4.006 1.00 0.00 C ATOM 0 H THR B 60 5.659 -5.888 -2.952 1.00 0.00 H new ATOM 0 HA THR B 60 7.514 -8.080 -3.512 1.00 0.00 H new ATOM 0 HB THR B 60 6.251 -8.337 -5.583 1.00 0.00 H new ATOM 0 HG1 THR B 60 4.710 -6.068 -4.686 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.030 -8.893 -4.665 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.342 -9.420 -3.584 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.407 -7.955 -3.200 1.00 0.00 H new ATOM 1571 N GLU B 61 8.541 -6.944 -5.718 1.00 0.00 N ATOM 1572 CA GLU B 61 9.437 -6.208 -6.596 1.00 0.00 C ATOM 1573 C GLU B 61 8.642 -5.188 -7.398 1.00 0.00 C ATOM 1574 O GLU B 61 9.161 -4.140 -7.789 1.00 0.00 O ATOM 1575 CB GLU B 61 10.168 -7.156 -7.536 1.00 0.00 C ATOM 1576 CG GLU B 61 11.315 -7.897 -6.878 1.00 0.00 C ATOM 1577 CD GLU B 61 12.418 -8.215 -7.856 1.00 0.00 C ATOM 1578 OE1 GLU B 61 13.232 -7.319 -8.153 1.00 0.00 O ATOM 1579 OE2 GLU B 61 12.471 -9.359 -8.345 1.00 0.00 O ATOM 0 H GLU B 61 8.455 -7.937 -5.936 1.00 0.00 H new ATOM 0 HA GLU B 61 10.179 -5.691 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU B 61 9.457 -7.881 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU B 61 10.551 -6.589 -8.384 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.716 -7.294 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU B 61 10.943 -8.822 -6.437 1.00 0.00 H new ATOM 1586 N GLU B 62 7.377 -5.509 -7.631 1.00 0.00 N ATOM 1587 CA GLU B 62 6.484 -4.630 -8.361 1.00 0.00 C ATOM 1588 C GLU B 62 6.201 -3.391 -7.529 1.00 0.00 C ATOM 1589 O GLU B 62 6.298 -2.266 -8.019 1.00 0.00 O ATOM 1590 CB GLU B 62 5.183 -5.360 -8.703 1.00 0.00 C ATOM 1591 CG GLU B 62 5.365 -6.460 -9.737 1.00 0.00 C ATOM 1592 CD GLU B 62 5.872 -5.927 -11.058 1.00 0.00 C ATOM 1593 OE1 GLU B 62 5.041 -5.479 -11.874 1.00 0.00 O ATOM 1594 OE2 GLU B 62 7.097 -5.953 -11.287 1.00 0.00 O ATOM 0 H GLU B 62 6.946 -6.380 -7.321 1.00 0.00 H new ATOM 0 HA GLU B 62 6.958 -4.328 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU B 62 4.767 -5.792 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU B 62 4.456 -4.638 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU B 62 6.065 -7.203 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU B 62 4.414 -6.969 -9.894 1.00 0.00 H new ATOM 1601 N ASP B 63 5.839 -3.607 -6.269 1.00 0.00 N ATOM 1602 CA ASP B 63 5.571 -2.506 -5.353 1.00 0.00 C ATOM 1603 C ASP B 63 6.766 -1.563 -5.290 1.00 0.00 C ATOM 1604 O ASP B 63 6.602 -0.345 -5.330 1.00 0.00 O ATOM 1605 CB ASP B 63 5.265 -3.023 -3.946 1.00 0.00 C ATOM 1606 CG ASP B 63 4.012 -3.871 -3.869 1.00 0.00 C ATOM 1607 OD1 ASP B 63 2.905 -3.334 -4.081 1.00 0.00 O ATOM 1608 OD2 ASP B 63 4.138 -5.079 -3.583 1.00 0.00 O ATOM 0 H ASP B 63 5.725 -4.534 -5.860 1.00 0.00 H new ATOM 0 HA ASP B 63 4.701 -1.968 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.113 -3.610 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.161 -2.174 -3.271 1.00 0.00 H new ATOM 1613 N LEU B 64 7.968 -2.134 -5.177 1.00 0.00 N ATOM 1614 CA LEU B 64 9.200 -1.351 -5.119 1.00 0.00 C ATOM 1615 C LEU B 64 9.355 -0.435 -6.329 1.00 0.00 C ATOM 1616 O LEU B 64 9.453 0.780 -6.172 1.00 0.00 O ATOM 1617 CB LEU B 64 10.413 -2.281 -5.025 1.00 0.00 C ATOM 1618 CG LEU B 64 10.673 -2.881 -3.643 1.00 0.00 C ATOM 1619 CD1 LEU B 64 11.786 -3.913 -3.711 1.00 0.00 C ATOM 1620 CD2 LEU B 64 11.026 -1.789 -2.647 1.00 0.00 C ATOM 0 H LEU B 64 8.112 -3.142 -5.124 1.00 0.00 H new ATOM 0 HA LEU B 64 9.142 -0.725 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.281 -3.096 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.299 -1.727 -5.335 1.00 0.00 H new ATOM 0 HG LEU B 64 9.762 -3.376 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.957 -4.329 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU B 64 11.500 -4.712 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.700 -3.439 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.208 -2.234 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.923 -1.268 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.200 -1.081 -2.576 1.00 0.00 H new ATOM 1632 N GLU B 65 9.444 -1.027 -7.523 1.00 0.00 N ATOM 1633 CA GLU B 65 9.586 -0.254 -8.761 1.00 0.00 C ATOM 1634 C GLU B 65 8.606 0.924 -8.828 1.00 0.00 C ATOM 1635 O GLU B 65 8.960 1.995 -9.325 1.00 0.00 O ATOM 1636 CB GLU B 65 9.460 -1.165 -9.997 1.00 0.00 C ATOM 1637 CG GLU B 65 8.037 -1.518 -10.407 1.00 0.00 C ATOM 1638 CD GLU B 65 7.480 -0.588 -11.471 1.00 0.00 C ATOM 1639 OE1 GLU B 65 8.279 0.017 -12.220 1.00 0.00 O ATOM 1640 OE2 GLU B 65 6.241 -0.455 -11.560 1.00 0.00 O ATOM 0 H GLU B 65 9.420 -2.038 -7.659 1.00 0.00 H new ATOM 0 HA GLU B 65 10.588 0.175 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU B 65 9.952 -0.677 -10.838 1.00 0.00 H new ATOM 0 HB3 GLU B 65 10.004 -2.089 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU B 65 8.015 -2.542 -10.779 1.00 0.00 H new ATOM 0 HG3 GLU B 65 7.392 -1.484 -9.529 1.00 0.00 H new ATOM 1647 N GLU B 66 7.389 0.735 -8.325 1.00 0.00 N ATOM 1648 CA GLU B 66 6.381 1.794 -8.312 1.00 0.00 C ATOM 1649 C GLU B 66 6.864 3.020 -7.529 1.00 0.00 C ATOM 1650 O GLU B 66 6.556 4.160 -7.882 1.00 0.00 O ATOM 1651 CB GLU B 66 5.088 1.244 -7.697 1.00 0.00 C ATOM 1652 CG GLU B 66 4.117 2.305 -7.207 1.00 0.00 C ATOM 1653 CD GLU B 66 3.100 1.748 -6.232 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.736 0.561 -6.363 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.659 2.492 -5.334 1.00 0.00 O ATOM 0 H GLU B 66 7.075 -0.146 -7.919 1.00 0.00 H new ATOM 0 HA GLU B 66 6.198 2.115 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU B 66 4.584 0.624 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU B 66 5.347 0.594 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU B 66 4.674 3.110 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU B 66 3.598 2.741 -8.060 1.00 0.00 H new ATOM 1662 N ALA B 67 7.642 2.777 -6.485 1.00 0.00 N ATOM 1663 CA ALA B 67 8.161 3.848 -5.645 1.00 0.00 C ATOM 1664 C ALA B 67 9.454 4.430 -6.216 1.00 0.00 C ATOM 1665 O ALA B 67 10.088 5.281 -5.595 1.00 0.00 O ATOM 1666 CB ALA B 67 8.389 3.339 -4.231 1.00 0.00 C ATOM 0 H ALA B 67 7.930 1.842 -6.197 1.00 0.00 H new ATOM 0 HA ALA B 67 7.420 4.647 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA B 67 8.777 4.147 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA B 67 7.446 2.984 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA B 67 9.108 2.520 -4.251 1.00 0.00 H new ATOM 1672 N GLY B 68 9.844 3.964 -7.398 1.00 0.00 N ATOM 1673 CA GLY B 68 11.055 4.459 -8.025 1.00 0.00 C ATOM 1674 C GLY B 68 12.204 3.478 -7.921 1.00 0.00 C ATOM 1675 O GLY B 68 13.211 3.609 -8.618 1.00 0.00 O ATOM 0 H GLY B 68 9.344 3.253 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY B 68 10.856 4.671 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY B 68 11.343 5.401 -7.559 1.00 0.00 H new ATOM 1679 N VAL B 69 12.054 2.486 -7.055 1.00 0.00 N ATOM 1680 CA VAL B 69 13.087 1.477 -6.868 1.00 0.00 C ATOM 1681 C VAL B 69 13.012 0.446 -7.987 1.00 0.00 C ATOM 1682 O VAL B 69 12.508 -0.656 -7.799 1.00 0.00 O ATOM 1683 CB VAL B 69 12.955 0.761 -5.505 1.00 0.00 C ATOM 1684 CG1 VAL B 69 14.269 0.096 -5.118 1.00 0.00 C ATOM 1685 CG2 VAL B 69 12.501 1.730 -4.423 1.00 0.00 C ATOM 0 H VAL B 69 11.228 2.358 -6.471 1.00 0.00 H new ATOM 0 HA VAL B 69 14.050 1.987 -6.890 1.00 0.00 H new ATOM 0 HB VAL B 69 12.195 -0.014 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.155 -0.402 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL B 69 14.543 -0.638 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL B 69 15.051 0.851 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL B 69 12.416 1.201 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.230 2.535 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL B 69 11.532 2.149 -4.693 1.00 0.00 H new ATOM 1695 N GLN B 70 13.491 0.824 -9.163 1.00 0.00 N ATOM 1696 CA GLN B 70 13.464 -0.064 -10.318 1.00 0.00 C ATOM 1697 C GLN B 70 14.830 -0.696 -10.559 1.00 0.00 C ATOM 1698 O GLN B 70 14.986 -1.546 -11.437 1.00 0.00 O ATOM 1699 CB GLN B 70 13.006 0.702 -11.561 1.00 0.00 C ATOM 1700 CG GLN B 70 11.810 1.610 -11.305 1.00 0.00 C ATOM 1701 CD GLN B 70 11.327 2.311 -12.557 1.00 0.00 C ATOM 1702 OE1 GLN B 70 11.833 3.370 -12.921 1.00 0.00 O ATOM 1703 NE2 GLN B 70 10.331 1.738 -13.210 1.00 0.00 N ATOM 0 H GLN B 70 13.903 1.739 -9.344 1.00 0.00 H new ATOM 0 HA GLN B 70 12.755 -0.866 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN B 70 13.835 1.302 -11.935 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.750 -0.011 -12.345 1.00 0.00 H new ATOM 0 HG2 GLN B 70 10.994 1.020 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN B 70 12.079 2.356 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN B 70 9.940 0.858 -12.873 1.00 0.00 H new ATOM 0 HE22 GLN B 70 9.954 2.176 -14.051 1.00 0.00 H new ATOM 1712 N ASP B 71 15.816 -0.284 -9.770 1.00 0.00 N ATOM 1713 CA ASP B 71 17.171 -0.812 -9.899 1.00 0.00 C ATOM 1714 C ASP B 71 17.238 -2.240 -9.359 1.00 0.00 C ATOM 1715 O ASP B 71 16.758 -2.517 -8.259 1.00 0.00 O ATOM 1716 CB ASP B 71 18.172 0.084 -9.163 1.00 0.00 C ATOM 1717 CG ASP B 71 19.588 -0.460 -9.213 1.00 0.00 C ATOM 1718 OD1 ASP B 71 19.944 -1.287 -8.349 1.00 0.00 O ATOM 1719 OD2 ASP B 71 20.353 -0.056 -10.115 1.00 0.00 O ATOM 0 H ASP B 71 15.703 0.414 -9.034 1.00 0.00 H new ATOM 0 HA ASP B 71 17.436 -0.826 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP B 71 18.154 1.081 -9.603 1.00 0.00 H new ATOM 0 HB3 ASP B 71 17.864 0.189 -8.123 1.00 0.00 H new ATOM 1724 N PRO B 72 17.829 -3.162 -10.138 1.00 0.00 N ATOM 1725 CA PRO B 72 17.948 -4.580 -9.768 1.00 0.00 C ATOM 1726 C PRO B 72 18.619 -4.811 -8.411 1.00 0.00 C ATOM 1727 O PRO B 72 18.061 -5.491 -7.548 1.00 0.00 O ATOM 1728 CB PRO B 72 18.805 -5.183 -10.893 1.00 0.00 C ATOM 1729 CG PRO B 72 19.401 -4.020 -11.612 1.00 0.00 C ATOM 1730 CD PRO B 72 18.427 -2.893 -11.454 1.00 0.00 C ATOM 0 HA PRO B 72 16.963 -5.034 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO B 72 19.581 -5.833 -10.489 1.00 0.00 H new ATOM 0 HB3 PRO B 72 18.198 -5.790 -11.565 1.00 0.00 H new ATOM 0 HG2 PRO B 72 20.372 -3.758 -11.192 1.00 0.00 H new ATOM 0 HG3 PRO B 72 19.561 -4.253 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO B 72 18.923 -1.923 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO B 72 17.678 -2.891 -12.246 1.00 0.00 H new ATOM 1738 N ALA B 73 19.802 -4.240 -8.226 1.00 0.00 N ATOM 1739 CA ALA B 73 20.549 -4.410 -6.985 1.00 0.00 C ATOM 1740 C ALA B 73 19.824 -3.779 -5.804 1.00 0.00 C ATOM 1741 O ALA B 73 19.726 -4.382 -4.734 1.00 0.00 O ATOM 1742 CB ALA B 73 21.945 -3.824 -7.125 1.00 0.00 C ATOM 0 H ALA B 73 20.266 -3.654 -8.920 1.00 0.00 H new ATOM 0 HA ALA B 73 20.631 -5.479 -6.790 1.00 0.00 H new ATOM 0 HB1 ALA B 73 22.491 -3.958 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA B 73 22.474 -4.333 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA B 73 21.872 -2.761 -7.353 1.00 0.00 H new ATOM 1748 N HIS B 74 19.310 -2.570 -6.001 1.00 0.00 N ATOM 1749 CA HIS B 74 18.599 -1.857 -4.943 1.00 0.00 C ATOM 1750 C HIS B 74 17.377 -2.647 -4.482 1.00 0.00 C ATOM 1751 O HIS B 74 17.107 -2.742 -3.283 1.00 0.00 O ATOM 1752 CB HIS B 74 18.190 -0.457 -5.413 1.00 0.00 C ATOM 1753 CG HIS B 74 19.352 0.485 -5.572 1.00 0.00 C ATOM 1754 ND1 HIS B 74 19.225 1.841 -5.792 1.00 0.00 N ATOM 1755 CD2 HIS B 74 20.687 0.239 -5.530 1.00 0.00 C ATOM 1756 CE1 HIS B 74 20.457 2.361 -5.873 1.00 0.00 C ATOM 1757 NE2 HIS B 74 21.379 1.431 -5.721 1.00 0.00 N ATOM 0 H HIS B 74 19.372 -2.062 -6.883 1.00 0.00 H new ATOM 0 HA HIS B 74 19.275 -1.750 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS B 74 17.667 -0.540 -6.366 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.484 -0.034 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS B 74 21.140 -0.729 -5.373 1.00 0.00 H new ATOM 0 HE1 HIS B 74 20.668 3.407 -6.041 1.00 0.00 H new ATOM 0 HE2 HIS B 74 22.391 1.559 -5.740 1.00 0.00 H new ATOM 1765 N LYS B 75 16.650 -3.224 -5.434 1.00 0.00 N ATOM 1766 CA LYS B 75 15.471 -4.021 -5.116 1.00 0.00 C ATOM 1767 C LYS B 75 15.874 -5.279 -4.363 1.00 0.00 C ATOM 1768 O LYS B 75 15.326 -5.589 -3.304 1.00 0.00 O ATOM 1769 CB LYS B 75 14.722 -4.415 -6.388 1.00 0.00 C ATOM 1770 CG LYS B 75 13.885 -3.296 -6.985 1.00 0.00 C ATOM 1771 CD LYS B 75 12.971 -3.813 -8.086 1.00 0.00 C ATOM 1772 CE LYS B 75 13.757 -4.250 -9.312 1.00 0.00 C ATOM 1773 NZ LYS B 75 13.141 -5.431 -9.969 1.00 0.00 N ATOM 0 H LYS B 75 16.857 -3.154 -6.430 1.00 0.00 H new ATOM 0 HA LYS B 75 14.815 -3.415 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS B 75 15.443 -4.752 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS B 75 14.073 -5.262 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS B 75 13.287 -2.830 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.541 -2.524 -7.387 1.00 0.00 H new ATOM 0 HD2 LYS B 75 12.387 -4.653 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS B 75 12.263 -3.033 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.810 -3.425 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS B 75 14.780 -4.488 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 13.515 -5.526 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 13.366 -6.288 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 12.109 -5.307 -10.008 1.00 0.00 H new ATOM 1787 N ARG B 76 16.839 -5.999 -4.927 1.00 0.00 N ATOM 1788 CA ARG B 76 17.336 -7.232 -4.331 1.00 0.00 C ATOM 1789 C ARG B 76 17.818 -7.000 -2.902 1.00 0.00 C ATOM 1790 O ARG B 76 17.486 -7.770 -1.998 1.00 0.00 O ATOM 1791 CB ARG B 76 18.469 -7.808 -5.183 1.00 0.00 C ATOM 1792 CG ARG B 76 18.754 -9.275 -4.908 1.00 0.00 C ATOM 1793 CD ARG B 76 17.486 -10.111 -5.000 1.00 0.00 C ATOM 1794 NE ARG B 76 17.771 -11.540 -4.965 1.00 0.00 N ATOM 1795 CZ ARG B 76 17.597 -12.309 -3.894 1.00 0.00 C ATOM 1796 NH1 ARG B 76 17.169 -11.782 -2.751 1.00 0.00 N ATOM 1797 NH2 ARG B 76 17.862 -13.604 -3.964 1.00 0.00 N ATOM 0 H ARG B 76 17.295 -5.746 -5.804 1.00 0.00 H new ATOM 0 HA ARG B 76 16.514 -7.947 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG B 76 18.217 -7.687 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG B 76 19.376 -7.231 -5.004 1.00 0.00 H new ATOM 0 HG2 ARG B 76 19.489 -9.645 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.192 -9.383 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG B 76 16.821 -9.854 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG B 76 16.958 -9.869 -5.922 1.00 0.00 H new ATOM 0 HE ARG B 76 18.126 -11.978 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG B 76 16.972 -10.783 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG B 76 17.037 -12.377 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG B 76 18.199 -14.009 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG B 76 17.730 -14.197 -3.144 1.00 0.00 H new ATOM 1811 N LEU B 77 18.595 -5.941 -2.704 1.00 0.00 N ATOM 1812 CA LEU B 77 19.117 -5.602 -1.385 1.00 0.00 C ATOM 1813 C LEU B 77 17.984 -5.336 -0.400 1.00 0.00 C ATOM 1814 O LEU B 77 18.021 -5.808 0.738 1.00 0.00 O ATOM 1815 CB LEU B 77 20.039 -4.381 -1.469 1.00 0.00 C ATOM 1816 CG LEU B 77 21.540 -4.690 -1.458 1.00 0.00 C ATOM 1817 CD1 LEU B 77 21.970 -5.212 -0.098 1.00 0.00 C ATOM 1818 CD2 LEU B 77 21.897 -5.691 -2.546 1.00 0.00 C ATOM 0 H LEU B 77 18.879 -5.299 -3.444 1.00 0.00 H new ATOM 0 HA LEU B 77 19.693 -6.454 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.805 -3.832 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.815 -3.719 -0.632 1.00 0.00 H new ATOM 0 HG LEU B 77 22.075 -3.762 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU B 77 23.039 -5.425 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU B 77 21.759 -4.461 0.663 1.00 0.00 H new ATOM 0 HD13 LEU B 77 21.421 -6.125 0.132 1.00 0.00 H new ATOM 0 HD21 LEU B 77 22.968 -5.893 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.348 -6.618 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU B 77 21.632 -5.280 -3.520 1.00 0.00 H new ATOM 1830 N LEU B 78 16.971 -4.594 -0.837 1.00 0.00 N ATOM 1831 CA LEU B 78 15.831 -4.291 0.020 1.00 0.00 C ATOM 1832 C LEU B 78 15.119 -5.582 0.408 1.00 0.00 C ATOM 1833 O LEU B 78 14.758 -5.780 1.570 1.00 0.00 O ATOM 1834 CB LEU B 78 14.866 -3.331 -0.681 1.00 0.00 C ATOM 1835 CG LEU B 78 14.198 -2.301 0.234 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.975 -0.994 -0.508 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.880 -2.838 0.775 1.00 0.00 C ATOM 0 H LEU B 78 16.916 -4.194 -1.774 1.00 0.00 H new ATOM 0 HA LEU B 78 16.192 -3.802 0.925 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.409 -2.801 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU B 78 14.089 -3.916 -1.173 1.00 0.00 H new ATOM 0 HG LEU B 78 14.863 -2.110 1.077 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.499 -0.274 0.158 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.933 -0.599 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.332 -1.170 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.421 -2.091 1.423 1.00 0.00 H new ATOM 0 HD22 LEU B 78 12.209 -3.059 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU B 78 13.065 -3.748 1.345 1.00 0.00 H new ATOM 1849 N LEU B 79 14.926 -6.458 -0.575 1.00 0.00 N ATOM 1850 CA LEU B 79 14.288 -7.754 -0.352 1.00 0.00 C ATOM 1851 C LEU B 79 15.034 -8.554 0.713 1.00 0.00 C ATOM 1852 O LEU B 79 14.424 -9.245 1.528 1.00 0.00 O ATOM 1853 CB LEU B 79 14.247 -8.557 -1.657 1.00 0.00 C ATOM 1854 CG LEU B 79 12.862 -8.728 -2.284 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.298 -7.385 -2.719 1.00 0.00 C ATOM 1856 CD2 LEU B 79 12.933 -9.684 -3.465 1.00 0.00 C ATOM 0 H LEU B 79 15.205 -6.292 -1.542 1.00 0.00 H new ATOM 0 HA LEU B 79 13.271 -7.571 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU B 79 14.897 -8.070 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.665 -9.546 -1.468 1.00 0.00 H new ATOM 0 HG LEU B 79 12.194 -9.150 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.313 -7.530 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.213 -6.728 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU B 79 12.963 -6.932 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.941 -9.797 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.617 -9.286 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.293 -10.655 -3.126 1.00 0.00 H new ATOM 1868 N ASP B 80 16.355 -8.443 0.703 1.00 0.00 N ATOM 1869 CA ASP B 80 17.189 -9.153 1.664 1.00 0.00 C ATOM 1870 C ASP B 80 17.087 -8.511 3.043 1.00 0.00 C ATOM 1871 O ASP B 80 17.100 -9.199 4.067 1.00 0.00 O ATOM 1872 CB ASP B 80 18.644 -9.162 1.200 1.00 0.00 C ATOM 1873 CG ASP B 80 19.504 -10.092 2.029 1.00 0.00 C ATOM 1874 OD1 ASP B 80 19.073 -11.239 2.278 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.619 -9.686 2.420 1.00 0.00 O ATOM 0 H ASP B 80 16.873 -7.867 0.039 1.00 0.00 H new ATOM 0 HA ASP B 80 16.832 -10.181 1.731 1.00 0.00 H new ATOM 0 HB2 ASP B 80 18.688 -9.465 0.154 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.047 -8.151 1.256 1.00 0.00 H new ATOM 1880 N THR B 81 16.961 -7.190 3.058 1.00 0.00 N ATOM 1881 CA THR B 81 16.845 -6.444 4.303 1.00 0.00 C ATOM 1882 C THR B 81 15.586 -6.861 5.064 1.00 0.00 C ATOM 1883 O THR B 81 15.569 -6.866 6.295 1.00 0.00 O ATOM 1884 CB THR B 81 16.821 -4.924 4.042 1.00 0.00 C ATOM 1885 OG1 THR B 81 17.855 -4.572 3.116 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.024 -4.146 5.333 1.00 0.00 C ATOM 0 H THR B 81 16.937 -6.612 2.218 1.00 0.00 H new ATOM 0 HA THR B 81 17.720 -6.675 4.910 1.00 0.00 H new ATOM 0 HB THR B 81 15.846 -4.669 3.626 1.00 0.00 H new ATOM 0 HG1 THR B 81 17.614 -4.889 2.221 1.00 0.00 H new ATOM 0 HG21 THR B 81 17.003 -3.077 5.121 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.228 -4.392 6.035 1.00 0.00 H new ATOM 0 HG23 THR B 81 17.987 -4.410 5.769 1.00 0.00 H new ATOM 1894 N LEU B 82 14.538 -7.218 4.317 1.00 0.00 N ATOM 1895 CA LEU B 82 13.274 -7.658 4.907 1.00 0.00 C ATOM 1896 C LEU B 82 13.498 -8.799 5.894 1.00 0.00 C ATOM 1897 O LEU B 82 12.851 -8.873 6.934 1.00 0.00 O ATOM 1898 CB LEU B 82 12.301 -8.112 3.812 1.00 0.00 C ATOM 1899 CG LEU B 82 11.844 -7.018 2.842 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.001 -7.621 1.730 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.062 -5.939 3.575 1.00 0.00 C ATOM 0 H LEU B 82 14.542 -7.210 3.297 1.00 0.00 H new ATOM 0 HA LEU B 82 12.845 -6.811 5.443 1.00 0.00 H new ATOM 0 HB2 LEU B 82 12.774 -8.909 3.237 1.00 0.00 H new ATOM 0 HB3 LEU B 82 11.420 -8.542 4.288 1.00 0.00 H new ATOM 0 HG LEU B 82 12.728 -6.557 2.402 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.682 -6.833 1.047 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.591 -8.357 1.184 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.124 -8.105 2.160 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.748 -5.173 2.866 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.183 -6.382 4.044 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.694 -5.488 4.340 1.00 0.00 H new ATOM 1913 N GLN B 83 14.418 -9.691 5.559 1.00 0.00 N ATOM 1914 CA GLN B 83 14.731 -10.817 6.422 1.00 0.00 C ATOM 1915 C GLN B 83 15.736 -10.408 7.491 1.00 0.00 C ATOM 1916 O GLN B 83 15.500 -10.588 8.684 1.00 0.00 O ATOM 1917 CB GLN B 83 15.311 -11.974 5.608 1.00 0.00 C ATOM 1918 CG GLN B 83 14.592 -12.233 4.298 1.00 0.00 C ATOM 1919 CD GLN B 83 15.322 -13.238 3.432 1.00 0.00 C ATOM 1920 OE1 GLN B 83 16.538 -13.390 3.530 1.00 0.00 O ATOM 1921 NE2 GLN B 83 14.588 -13.926 2.577 1.00 0.00 N ATOM 0 H GLN B 83 14.960 -9.656 4.696 1.00 0.00 H new ATOM 0 HA GLN B 83 13.805 -11.139 6.899 1.00 0.00 H new ATOM 0 HB2 GLN B 83 16.360 -11.766 5.399 1.00 0.00 H new ATOM 0 HB3 GLN B 83 15.280 -12.881 6.212 1.00 0.00 H new ATOM 0 HG2 GLN B 83 13.586 -12.597 4.504 1.00 0.00 H new ATOM 0 HG3 GLN B 83 14.486 -11.295 3.752 1.00 0.00 H new ATOM 0 HE21 GLN B 83 13.581 -13.769 2.528 1.00 0.00 H new ATOM 0 HE22 GLN B 83 15.028 -14.614 1.966 1.00 0.00 H new ATOM 1930 N LEU B 84 16.859 -9.868 7.036 1.00 0.00 N ATOM 1931 CA LEU B 84 17.948 -9.431 7.903 1.00 0.00 C ATOM 1932 C LEU B 84 17.513 -8.496 9.037 1.00 0.00 C ATOM 1933 O LEU B 84 17.962 -8.651 10.173 1.00 0.00 O ATOM 1934 CB LEU B 84 19.007 -8.732 7.050 1.00 0.00 C ATOM 1935 CG LEU B 84 20.214 -8.194 7.814 1.00 0.00 C ATOM 1936 CD1 LEU B 84 21.198 -9.314 8.115 1.00 0.00 C ATOM 1937 CD2 LEU B 84 20.884 -7.083 7.024 1.00 0.00 C ATOM 0 H LEU B 84 17.042 -9.719 6.044 1.00 0.00 H new ATOM 0 HA LEU B 84 18.342 -10.326 8.384 1.00 0.00 H new ATOM 0 HB2 LEU B 84 19.360 -9.433 6.294 1.00 0.00 H new ATOM 0 HB3 LEU B 84 18.535 -7.904 6.521 1.00 0.00 H new ATOM 0 HG LEU B 84 19.871 -7.782 8.763 1.00 0.00 H new ATOM 0 HD11 LEU B 84 22.052 -8.911 8.660 1.00 0.00 H new ATOM 0 HD12 LEU B 84 20.708 -10.076 8.721 1.00 0.00 H new ATOM 0 HD13 LEU B 84 21.541 -9.758 7.180 1.00 0.00 H new ATOM 0 HD21 LEU B 84 21.743 -6.708 7.580 1.00 0.00 H new ATOM 0 HD22 LEU B 84 21.216 -7.471 6.061 1.00 0.00 H new ATOM 0 HD23 LEU B 84 20.174 -6.272 6.863 1.00 0.00 H new ATOM 1949 N SER B 85 16.665 -7.525 8.739 1.00 0.00 N ATOM 1950 CA SER B 85 16.241 -6.567 9.754 1.00 0.00 C ATOM 1951 C SER B 85 14.829 -6.828 10.276 1.00 0.00 C ATOM 1952 O SER B 85 14.498 -6.403 11.386 1.00 0.00 O ATOM 1953 CB SER B 85 16.345 -5.152 9.186 1.00 0.00 C ATOM 1954 OG SER B 85 17.679 -4.866 8.794 1.00 0.00 O ATOM 0 H SER B 85 16.259 -7.378 7.815 1.00 0.00 H new ATOM 0 HA SER B 85 16.907 -6.683 10.609 1.00 0.00 H new ATOM 0 HB2 SER B 85 15.679 -5.049 8.329 1.00 0.00 H new ATOM 0 HB3 SER B 85 16.017 -4.430 9.934 1.00 0.00 H new ATOM 0 HG SER B 85 17.726 -3.957 8.431 1.00 0.00 H new ATOM 1960 N LYS B 86 14.014 -7.527 9.488 1.00 0.00 N ATOM 1961 CA LYS B 86 12.633 -7.829 9.868 1.00 0.00 C ATOM 1962 C LYS B 86 11.875 -6.550 10.211 1.00 0.00 C ATOM 1963 O LYS B 86 11.219 -6.505 11.278 1.00 0.00 O ATOM 1964 CB LYS B 86 12.582 -8.795 11.056 1.00 0.00 C ATOM 1965 CG LYS B 86 12.594 -10.260 10.662 1.00 0.00 C ATOM 1966 CD LYS B 86 11.972 -11.119 11.751 1.00 0.00 C ATOM 1967 CE LYS B 86 12.045 -12.600 11.415 1.00 0.00 C ATOM 1968 NZ LYS B 86 11.358 -12.920 10.136 1.00 0.00 N ATOM 1969 OXT LYS B 86 11.961 -5.586 9.430 1.00 0.00 O ATOM 0 H LYS B 86 14.287 -7.897 8.578 1.00 0.00 H new ATOM 0 HA LYS B 86 12.156 -8.307 9.013 1.00 0.00 H new ATOM 0 HB2 LYS B 86 13.433 -8.598 11.708 1.00 0.00 H new ATOM 0 HB3 LYS B 86 11.682 -8.593 11.637 1.00 0.00 H new ATOM 0 HG2 LYS B 86 12.046 -10.395 9.729 1.00 0.00 H new ATOM 0 HG3 LYS B 86 13.619 -10.583 10.479 1.00 0.00 H new ATOM 0 HD2 LYS B 86 12.484 -10.935 12.695 1.00 0.00 H new ATOM 0 HD3 LYS B 86 10.931 -10.829 11.892 1.00 0.00 H new ATOM 0 HE2 LYS B 86 13.089 -12.905 11.351 1.00 0.00 H new ATOM 0 HE3 LYS B 86 11.593 -13.177 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 11.299 -13.952 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 10.399 -12.518 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 11.895 -12.514 9.343 1.00 0.00 H new TER 1983 LYS B 86