USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1083 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 137 HIS : no HE2:sc= -1.13 K(o=-1.4,f=-3.8!) USER MOD Set 1.2: A 141 ASN : amide:sc= -0.3 K(o=-1.4,f=-3.1) USER MOD Set 2.1: A 125 THR OG1 : rot -160:sc= -1.82! USER MOD Set 2.2: A 128 ASN : amide:sc= -0.267 X(o=-2.1,f=-2.1) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.962 X(o=-0.96,f=-0.94) USER MOD Set 3.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 34 SER OG : rot -27:sc= 0.633 USER MOD Set 4.2: A 35 HIS :FLIP no HD1:sc= -0.681 F(o=-0.74,f=-0.048) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -3.69 F(o=-6!,f=-3.7) USER MOD Single : A 10 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= -0.026 (180deg=-0.72) USER MOD Single : A 12 ASN : amide:sc= -1.04 X(o=-1,f=-0.61) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 16 ASN : amide:sc=-0.00688 X(o=-0.0069,f=-0.053) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc=-0.00577 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc=-0.00804 USER MOD Single : A 26 ASN : amide:sc= -2.22 K(o=-2.2,f=-7.2!) USER MOD Single : A 27 GLN : amide:sc= -0.0807 K(o=-0.081,f=-0.58) USER MOD Single : A 28 ASN : amide:sc=-0.00952 X(o=-0.0095,f=-0.012) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -120:sc= -1.03 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= -0.0268 (180deg=-0.482) USER MOD Single : A 44 THR OG1 : rot 151:sc= 0.959 USER MOD Single : A 46 SER OG : rot 91:sc= -0.204 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 120:sc= 0 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -1.4 F(o=-2,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.792 K(o=0.79,f=-2.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0204 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.437 K(o=0.44,f=-5.3!) USER MOD Single : A 83 SER OG : rot 72:sc= 0.808 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.586 USER MOD Single : A 92 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.84) USER MOD Single : A 93 TYR OH : rot 150:sc= -0.727 USER MOD Single : A 104 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3) USER MOD Single : A 106 TYR OH : rot -72:sc= -1.8 USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0542) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -150:sc= -2.53! (180deg=-3.54!) USER MOD Single : A 116 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.2!) USER MOD Single : A 124 TYR OH : rot 180:sc= -1.53! USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -122:sc= -2.2! (180deg=-3.15!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.525 -7.641 -15.360 1.00 0.00 N ATOM 12 CA VAL A 2 3.472 -8.863 -14.549 1.00 0.00 C ATOM 13 C VAL A 2 2.097 -8.949 -13.854 1.00 0.00 C ATOM 14 O VAL A 2 1.574 -7.963 -13.338 1.00 0.00 O ATOM 15 CB VAL A 2 4.659 -8.854 -13.572 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.706 -10.168 -12.845 1.00 0.00 C ATOM 17 CG2 VAL A 2 6.022 -8.743 -14.251 1.00 0.00 C ATOM 0 HA VAL A 2 3.567 -9.760 -15.160 1.00 0.00 H new ATOM 0 HB VAL A 2 4.496 -7.987 -12.932 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.546 -10.169 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.777 -10.312 -12.293 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.829 -10.978 -13.564 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.807 -8.743 -13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.164 -9.590 -14.922 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.069 -7.816 -14.822 1.00 0.00 H new ATOM 27 N THR A 3 1.510 -10.142 -13.856 1.00 0.00 N ATOM 28 CA THR A 3 0.177 -10.368 -13.259 1.00 0.00 C ATOM 29 C THR A 3 0.299 -10.874 -11.820 1.00 0.00 C ATOM 30 O THR A 3 0.385 -12.072 -11.561 1.00 0.00 O ATOM 31 CB THR A 3 -0.626 -11.289 -14.206 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.164 -10.436 -15.214 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.733 -12.158 -13.587 1.00 0.00 C ATOM 0 H THR A 3 1.930 -10.977 -14.264 1.00 0.00 H new ATOM 0 HA THR A 3 -0.380 -9.436 -13.167 1.00 0.00 H new ATOM 0 HB THR A 3 0.068 -12.044 -14.576 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.686 -10.969 -15.849 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.210 -12.750 -14.368 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.299 -12.823 -12.841 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.476 -11.517 -13.113 1.00 0.00 H new ATOM 41 N TRP A 4 0.306 -9.919 -10.890 1.00 0.00 N ATOM 42 CA TRP A 4 0.424 -10.246 -9.456 1.00 0.00 C ATOM 43 C TRP A 4 -0.961 -10.472 -8.860 1.00 0.00 C ATOM 44 O TRP A 4 -1.766 -9.567 -8.727 1.00 0.00 O ATOM 45 CB TRP A 4 1.142 -9.135 -8.692 1.00 0.00 C ATOM 46 CG TRP A 4 2.627 -9.037 -9.045 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.135 -8.501 -10.144 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.696 -9.457 -8.258 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.462 -8.560 -10.112 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.854 -9.127 -8.978 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.777 -10.154 -7.039 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.135 -9.503 -8.499 1.00 0.00 C ATOM 53 CZ3 TRP A 4 5.047 -10.550 -6.569 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.211 -10.238 -7.300 1.00 0.00 C ATOM 0 H TRP A 4 0.233 -8.922 -11.093 1.00 0.00 H new ATOM 0 HA TRP A 4 1.014 -11.158 -9.364 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.659 -8.182 -8.906 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.039 -9.311 -7.621 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.555 -8.077 -10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.084 -8.221 -10.846 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.885 -10.381 -6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.030 -9.232 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.128 -11.097 -5.641 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.173 -10.567 -6.936 1.00 0.00 H new ATOM 65 N THR A 5 -1.238 -11.745 -8.625 1.00 0.00 N ATOM 66 CA THR A 5 -2.568 -12.152 -8.160 1.00 0.00 C ATOM 67 C THR A 5 -2.498 -12.603 -6.707 1.00 0.00 C ATOM 68 O THR A 5 -1.541 -13.254 -6.277 1.00 0.00 O ATOM 69 CB THR A 5 -3.125 -13.248 -9.068 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.841 -12.917 -10.440 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.643 -13.291 -8.938 1.00 0.00 C ATOM 0 H THR A 5 -0.574 -12.510 -8.745 1.00 0.00 H new ATOM 0 HA THR A 5 -3.248 -11.302 -8.210 1.00 0.00 H new ATOM 0 HB THR A 5 -2.675 -14.200 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.195 -13.618 -11.026 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.042 -14.072 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.914 -13.503 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.061 -12.328 -9.232 1.00 0.00 H new ATOM 79 N CYS A 6 -3.472 -12.126 -5.938 1.00 0.00 N ATOM 80 CA CYS A 6 -3.573 -12.444 -4.513 1.00 0.00 C ATOM 81 C CYS A 6 -4.924 -13.059 -4.162 1.00 0.00 C ATOM 82 O CYS A 6 -5.960 -12.677 -4.708 1.00 0.00 O ATOM 83 CB CYS A 6 -3.348 -11.192 -3.680 1.00 0.00 C ATOM 84 SG CYS A 6 -1.760 -11.306 -2.778 1.00 0.00 S ATOM 0 H CYS A 6 -4.211 -11.511 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.801 -13.180 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.345 -10.313 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.168 -11.066 -2.973 1.00 0.00 H new ATOM 89 N LEU A 7 -4.844 -14.074 -3.328 1.00 0.00 N ATOM 90 CA LEU A 7 -6.036 -14.834 -2.918 1.00 0.00 C ATOM 91 C LEU A 7 -6.483 -14.405 -1.512 1.00 0.00 C ATOM 92 O LEU A 7 -6.017 -14.922 -0.489 1.00 0.00 O ATOM 93 CB LEU A 7 -5.711 -16.325 -2.977 1.00 0.00 C ATOM 94 CG LEU A 7 -5.674 -16.847 -4.417 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.675 -17.991 -4.519 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.073 -17.322 -4.853 1.00 0.00 C ATOM 0 H LEU A 7 -3.972 -14.402 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.865 -14.629 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.747 -16.505 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.456 -16.881 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.364 -16.039 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.650 -18.362 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.684 -17.635 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.975 -18.797 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.029 -17.690 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.407 -18.123 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.774 -16.489 -4.796 1.00 0.00 H new ATOM 108 N ASN A 8 -7.277 -13.344 -1.501 1.00 0.00 N ATOM 109 CA ASN A 8 -7.781 -12.731 -0.263 1.00 0.00 C ATOM 110 C ASN A 8 -9.115 -13.384 0.090 1.00 0.00 C ATOM 111 O ASN A 8 -9.893 -13.776 -0.773 1.00 0.00 O ATOM 112 CB ASN A 8 -8.023 -11.223 -0.444 1.00 0.00 C ATOM 113 CG ASN A 8 -6.850 -10.507 -1.143 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.139 -9.678 -0.423 1.00 0.00 O flip ATOM 115 ND2 ASN A 8 -6.582 -10.681 -2.321 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.596 -12.876 -2.350 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.039 -12.877 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.932 -11.073 -1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.191 -10.767 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.138 -11.328 -2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.802 -10.179 -2.746 1.00 0.00 H new ATOM 122 N ASP A 9 -9.320 -13.546 1.397 1.00 0.00 N ATOM 123 CA ASP A 9 -10.571 -14.145 1.886 1.00 0.00 C ATOM 124 C ASP A 9 -11.695 -13.084 1.873 1.00 0.00 C ATOM 125 O ASP A 9 -11.435 -11.898 2.011 1.00 0.00 O ATOM 126 CB ASP A 9 -10.292 -14.730 3.267 1.00 0.00 C ATOM 127 CG ASP A 9 -11.093 -15.995 3.615 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.831 -16.484 2.731 1.00 0.00 O ATOM 129 OD2 ASP A 9 -11.083 -16.339 4.817 1.00 0.00 O ATOM 0 H ASP A 9 -8.656 -13.280 2.124 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.920 -14.954 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.229 -14.961 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.503 -13.968 4.017 1.00 0.00 H new ATOM 134 N GLN A 10 -12.921 -13.519 1.643 1.00 0.00 N ATOM 135 CA GLN A 10 -14.107 -12.632 1.544 1.00 0.00 C ATOM 136 C GLN A 10 -15.350 -13.305 2.129 1.00 0.00 C ATOM 137 O GLN A 10 -15.743 -14.388 1.702 1.00 0.00 O ATOM 138 CB GLN A 10 -14.379 -12.232 0.089 1.00 0.00 C ATOM 139 CG GLN A 10 -13.526 -11.018 -0.261 1.00 0.00 C ATOM 140 CD GLN A 10 -12.797 -11.211 -1.587 1.00 0.00 C ATOM 141 OE1 GLN A 10 -11.829 -11.943 -1.704 1.00 0.00 O ATOM 142 NE2 GLN A 10 -13.284 -10.538 -2.610 1.00 0.00 N ATOM 0 H GLN A 10 -13.142 -14.506 1.516 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.886 -11.734 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.146 -13.061 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.436 -12.001 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.158 -10.132 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.800 -10.841 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.095 -9.933 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.850 -10.622 -3.529 1.00 0.00 H new ATOM 151 N LYS A 11 -15.831 -12.702 3.211 1.00 0.00 N ATOM 152 CA LYS A 11 -17.031 -13.193 3.923 1.00 0.00 C ATOM 153 C LYS A 11 -18.272 -12.774 3.116 1.00 0.00 C ATOM 154 O LYS A 11 -18.847 -11.701 3.306 1.00 0.00 O ATOM 155 CB LYS A 11 -17.067 -12.660 5.354 1.00 0.00 C ATOM 156 CG LYS A 11 -18.269 -13.200 6.128 1.00 0.00 C ATOM 157 CD LYS A 11 -18.909 -12.136 7.036 1.00 0.00 C ATOM 158 CE LYS A 11 -19.818 -11.143 6.290 1.00 0.00 C ATOM 159 NZ LYS A 11 -19.103 -9.907 5.917 1.00 0.00 N ATOM 0 H LYS A 11 -15.414 -11.868 3.624 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.009 -14.280 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.148 -12.938 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.105 -11.571 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.015 -13.569 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.955 -14.050 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.492 -12.636 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.119 -11.581 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.213 -11.618 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.672 -10.891 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.605 -9.084 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.136 -9.936 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.063 -9.829 4.881 1.00 0.00 H new ATOM 173 N ASN A 12 -18.552 -13.579 2.107 1.00 0.00 N ATOM 174 CA ASN A 12 -19.717 -13.356 1.238 1.00 0.00 C ATOM 175 C ASN A 12 -20.976 -13.368 2.101 1.00 0.00 C ATOM 176 O ASN A 12 -21.146 -14.343 2.831 1.00 0.00 O ATOM 177 CB ASN A 12 -19.813 -14.458 0.185 1.00 0.00 C ATOM 178 CG ASN A 12 -20.279 -13.848 -1.134 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.806 -12.813 -1.578 1.00 0.00 O ATOM 180 ND2 ASN A 12 -21.281 -14.428 -1.752 1.00 0.00 N ATOM 0 H ASN A 12 -17.994 -14.397 1.861 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.613 -12.397 0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.844 -14.940 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.511 -15.229 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.664 -14.015 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.677 -15.292 -1.382 1.00 0.00 H new ATOM 187 N PRO A 13 -21.860 -12.362 2.006 1.00 0.00 N ATOM 188 CA PRO A 13 -23.116 -12.305 2.789 1.00 0.00 C ATOM 189 C PRO A 13 -24.176 -13.298 2.284 1.00 0.00 C ATOM 190 O PRO A 13 -24.934 -13.832 3.092 1.00 0.00 O ATOM 191 CB PRO A 13 -23.574 -10.849 2.678 1.00 0.00 C ATOM 192 CG PRO A 13 -22.996 -10.362 1.352 1.00 0.00 C ATOM 193 CD PRO A 13 -21.702 -11.164 1.153 1.00 0.00 C ATOM 0 HA PRO A 13 -22.959 -12.603 3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.661 -10.774 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -23.206 -10.253 3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.694 -10.533 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.794 -9.291 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.565 -11.439 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.828 -10.583 1.447 1.00 0.00 H new ATOM 201 N LYS A 14 -24.097 -13.655 1.004 1.00 0.00 N ATOM 202 CA LYS A 14 -24.997 -14.643 0.365 1.00 0.00 C ATOM 203 C LYS A 14 -24.897 -16.001 1.067 1.00 0.00 C ATOM 204 O LYS A 14 -25.897 -16.606 1.456 1.00 0.00 O ATOM 205 CB LYS A 14 -24.648 -14.777 -1.131 1.00 0.00 C ATOM 206 CG LYS A 14 -25.504 -15.799 -1.899 1.00 0.00 C ATOM 207 CD LYS A 14 -26.963 -15.346 -2.031 1.00 0.00 C ATOM 208 CE LYS A 14 -27.894 -16.485 -2.470 1.00 0.00 C ATOM 209 NZ LYS A 14 -27.917 -16.676 -3.929 1.00 0.00 N ATOM 0 H LYS A 14 -23.402 -13.269 0.365 1.00 0.00 H new ATOM 0 HA LYS A 14 -26.025 -14.293 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.758 -13.802 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.599 -15.060 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.081 -15.952 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -25.468 -16.760 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.305 -14.949 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.024 -14.532 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.576 -17.412 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -28.905 -16.276 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -28.561 -17.457 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.247 -15.803 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -26.959 -16.903 -4.265 1.00 0.00 H new ATOM 223 N THR A 15 -23.660 -16.412 1.278 1.00 0.00 N ATOM 224 CA THR A 15 -23.356 -17.694 1.925 1.00 0.00 C ATOM 225 C THR A 15 -22.894 -17.540 3.384 1.00 0.00 C ATOM 226 O THR A 15 -22.565 -18.525 4.030 1.00 0.00 O ATOM 227 CB THR A 15 -22.312 -18.418 1.069 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.276 -17.475 0.735 1.00 0.00 O ATOM 229 CG2 THR A 15 -22.945 -18.998 -0.190 1.00 0.00 C ATOM 0 H THR A 15 -22.835 -15.876 1.010 1.00 0.00 H new ATOM 0 HA THR A 15 -24.270 -18.285 1.985 1.00 0.00 H new ATOM 0 HB THR A 15 -21.890 -19.253 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.595 -17.918 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 15 -22.182 -19.506 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.723 -19.709 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.384 -18.194 -0.780 1.00 0.00 H new ATOM 237 N ASN A 16 -22.824 -16.285 3.849 1.00 0.00 N ATOM 238 CA ASN A 16 -22.286 -15.873 5.173 1.00 0.00 C ATOM 239 C ASN A 16 -20.969 -16.577 5.539 1.00 0.00 C ATOM 240 O ASN A 16 -20.651 -16.829 6.708 1.00 0.00 O ATOM 241 CB ASN A 16 -23.356 -16.073 6.236 1.00 0.00 C ATOM 242 CG ASN A 16 -23.698 -14.756 6.929 1.00 0.00 C ATOM 243 OD1 ASN A 16 -22.870 -14.000 7.408 1.00 0.00 O ATOM 244 ND2 ASN A 16 -24.986 -14.491 6.997 1.00 0.00 N ATOM 0 H ASN A 16 -23.151 -15.491 3.299 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.031 -14.815 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.253 -16.490 5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.009 -16.796 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -25.308 -13.639 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -25.662 -15.137 6.590 1.00 0.00 H new ATOM 251 N LYS A 17 -20.233 -16.932 4.496 1.00 0.00 N ATOM 252 CA LYS A 17 -19.019 -17.739 4.600 1.00 0.00 C ATOM 253 C LYS A 17 -17.858 -17.026 3.908 1.00 0.00 C ATOM 254 O LYS A 17 -18.054 -16.175 3.028 1.00 0.00 O ATOM 255 CB LYS A 17 -19.241 -19.123 3.999 1.00 0.00 C ATOM 256 CG LYS A 17 -18.961 -20.188 5.068 1.00 0.00 C ATOM 257 CD LYS A 17 -18.200 -21.359 4.456 1.00 0.00 C ATOM 258 CE LYS A 17 -17.031 -21.755 5.358 1.00 0.00 C ATOM 259 NZ LYS A 17 -16.017 -22.469 4.564 1.00 0.00 N ATOM 0 H LYS A 17 -20.463 -16.665 3.539 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.771 -17.867 5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.265 -19.215 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.584 -19.270 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.381 -19.753 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.900 -20.539 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.870 -22.208 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.830 -21.086 3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.592 -20.867 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.384 -22.389 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.222 -22.738 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.440 -23.324 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.672 -21.849 3.803 1.00 0.00 H new ATOM 273 N TYR A 18 -16.673 -17.449 4.302 1.00 0.00 N ATOM 274 CA TYR A 18 -15.404 -16.891 3.801 1.00 0.00 C ATOM 275 C TYR A 18 -14.875 -17.680 2.603 1.00 0.00 C ATOM 276 O TYR A 18 -14.833 -18.907 2.621 1.00 0.00 O ATOM 277 CB TYR A 18 -14.384 -16.891 4.928 1.00 0.00 C ATOM 278 CG TYR A 18 -14.124 -15.483 5.473 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.592 -14.515 4.604 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.260 -15.230 6.848 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.171 -13.273 5.112 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.851 -13.976 7.368 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.311 -13.017 6.478 1.00 0.00 C ATOM 284 OH TYR A 18 -12.970 -11.789 6.937 1.00 0.00 O ATOM 0 H TYR A 18 -16.548 -18.196 4.985 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.582 -15.871 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.738 -17.532 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.448 -17.318 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.507 -14.725 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.672 -15.983 7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.746 -12.528 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.949 -13.757 8.421 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.118 -11.749 7.905 1.00 0.00 H new ATOM 294 N GLU A 19 -14.637 -16.938 1.529 1.00 0.00 N ATOM 295 CA GLU A 19 -14.173 -17.518 0.253 1.00 0.00 C ATOM 296 C GLU A 19 -12.860 -16.861 -0.160 1.00 0.00 C ATOM 297 O GLU A 19 -12.673 -15.668 0.055 1.00 0.00 O ATOM 298 CB GLU A 19 -15.198 -17.311 -0.870 1.00 0.00 C ATOM 299 CG GLU A 19 -16.647 -17.408 -0.378 1.00 0.00 C ATOM 300 CD GLU A 19 -17.663 -17.539 -1.511 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.673 -16.650 -2.394 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.430 -18.520 -1.436 1.00 0.00 O ATOM 0 H GLU A 19 -14.756 -15.925 1.506 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.037 -18.588 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.039 -16.334 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.033 -18.056 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.741 -18.267 0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.883 -16.522 0.212 1.00 0.00 H new ATOM 309 N THR A 20 -12.040 -17.605 -0.880 1.00 0.00 N ATOM 310 CA THR A 20 -10.706 -17.121 -1.261 1.00 0.00 C ATOM 311 C THR A 20 -10.730 -16.735 -2.741 1.00 0.00 C ATOM 312 O THR A 20 -10.477 -17.546 -3.631 1.00 0.00 O ATOM 313 CB THR A 20 -9.668 -18.195 -0.942 1.00 0.00 C ATOM 314 OG1 THR A 20 -9.952 -18.719 0.357 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.261 -17.622 -0.920 1.00 0.00 C ATOM 0 H THR A 20 -12.263 -18.542 -1.216 1.00 0.00 H new ATOM 0 HA THR A 20 -10.428 -16.233 -0.693 1.00 0.00 H new ATOM 0 HB THR A 20 -9.719 -18.964 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.297 -19.413 0.580 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.549 -18.415 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.027 -17.195 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.197 -16.844 -0.159 1.00 0.00 H new ATOM 323 N LYS A 21 -11.233 -15.520 -2.959 1.00 0.00 N ATOM 324 CA LYS A 21 -11.323 -14.958 -4.314 1.00 0.00 C ATOM 325 C LYS A 21 -9.928 -14.633 -4.874 1.00 0.00 C ATOM 326 O LYS A 21 -8.911 -14.770 -4.188 1.00 0.00 O ATOM 327 CB LYS A 21 -12.226 -13.707 -4.320 1.00 0.00 C ATOM 328 CG LYS A 21 -13.684 -14.041 -3.970 1.00 0.00 C ATOM 329 CD LYS A 21 -14.650 -13.624 -5.081 1.00 0.00 C ATOM 330 CE LYS A 21 -14.636 -14.595 -6.268 1.00 0.00 C ATOM 331 NZ LYS A 21 -14.503 -13.836 -7.516 1.00 0.00 N ATOM 0 H LYS A 21 -11.583 -14.907 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.772 -15.709 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.840 -12.979 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.189 -13.239 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.778 -15.112 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.959 -13.538 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.660 -13.565 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.388 -12.625 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.809 -15.298 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.554 -15.182 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.493 -14.493 -8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.306 -13.182 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.615 -13.294 -7.500 1.00 0.00 H new ATOM 345 N ARG A 22 -9.895 -14.273 -6.151 1.00 0.00 N ATOM 346 CA ARG A 22 -8.633 -13.937 -6.841 1.00 0.00 C ATOM 347 C ARG A 22 -8.592 -12.449 -7.198 1.00 0.00 C ATOM 348 O ARG A 22 -9.449 -11.932 -7.914 1.00 0.00 O ATOM 349 CB ARG A 22 -8.470 -14.726 -8.137 1.00 0.00 C ATOM 350 CG ARG A 22 -7.556 -15.937 -7.951 1.00 0.00 C ATOM 351 CD ARG A 22 -6.600 -15.991 -9.128 1.00 0.00 C ATOM 352 NE ARG A 22 -6.489 -17.357 -9.665 1.00 0.00 N ATOM 353 CZ ARG A 22 -5.647 -17.748 -10.617 1.00 0.00 C ATOM 354 NH1 ARG A 22 -4.723 -16.932 -11.113 1.00 0.00 N ATOM 355 NH2 ARG A 22 -5.700 -18.986 -11.064 1.00 0.00 N ATOM 0 H ARG A 22 -10.724 -14.203 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.827 -14.191 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.448 -15.058 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.060 -14.076 -8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.003 -15.856 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.144 -16.853 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.946 -15.317 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.616 -15.639 -8.817 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.111 -18.064 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.646 -15.977 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.091 -17.261 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.384 -19.638 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.057 -19.293 -11.794 1.00 0.00 H new ATOM 369 N LEU A 23 -7.564 -11.808 -6.680 1.00 0.00 N ATOM 370 CA LEU A 23 -7.337 -10.371 -6.918 1.00 0.00 C ATOM 371 C LEU A 23 -6.083 -10.163 -7.768 1.00 0.00 C ATOM 372 O LEU A 23 -4.961 -10.166 -7.276 1.00 0.00 O ATOM 373 CB LEU A 23 -7.248 -9.658 -5.568 1.00 0.00 C ATOM 374 CG LEU A 23 -8.431 -8.702 -5.385 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.759 -9.447 -5.214 1.00 0.00 C ATOM 376 CD2 LEU A 23 -8.176 -7.868 -4.137 1.00 0.00 C ATOM 0 H LEU A 23 -6.862 -12.250 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.168 -9.943 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.239 -10.392 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.312 -9.103 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.511 -8.083 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.567 -8.726 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.951 -10.056 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.705 -10.089 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.006 -7.178 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.087 -8.525 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.252 -7.303 -4.260 1.00 0.00 H new ATOM 388 N LEU A 24 -6.341 -10.135 -9.073 1.00 0.00 N ATOM 389 CA LEU A 24 -5.290 -9.856 -10.061 1.00 0.00 C ATOM 390 C LEU A 24 -4.987 -8.349 -10.117 1.00 0.00 C ATOM 391 O LEU A 24 -5.856 -7.522 -10.352 1.00 0.00 O ATOM 392 CB LEU A 24 -5.655 -10.526 -11.408 1.00 0.00 C ATOM 393 CG LEU A 24 -5.014 -9.993 -12.712 1.00 0.00 C ATOM 394 CD1 LEU A 24 -5.840 -8.855 -13.307 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.547 -9.596 -12.597 1.00 0.00 C ATOM 0 H LEU A 24 -7.264 -10.301 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.341 -10.305 -9.767 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.405 -11.584 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.737 -10.463 -11.524 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.024 -10.845 -13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.365 -8.501 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.844 -9.214 -13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.901 -8.036 -12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.191 -9.236 -13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.441 -8.806 -11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.959 -10.462 -12.293 1.00 0.00 H new ATOM 407 N TYR A 25 -3.703 -8.093 -9.932 1.00 0.00 N ATOM 408 CA TYR A 25 -3.112 -6.750 -9.985 1.00 0.00 C ATOM 409 C TYR A 25 -2.042 -6.668 -11.073 1.00 0.00 C ATOM 410 O TYR A 25 -0.987 -7.298 -10.993 1.00 0.00 O ATOM 411 CB TYR A 25 -2.484 -6.423 -8.626 1.00 0.00 C ATOM 412 CG TYR A 25 -3.577 -6.087 -7.618 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.210 -7.106 -6.871 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.922 -4.733 -7.500 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.225 -6.733 -5.956 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.898 -4.384 -6.557 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.543 -5.364 -5.790 1.00 0.00 C ATOM 418 OH TYR A 25 -6.482 -4.963 -4.894 1.00 0.00 O ATOM 0 H TYR A 25 -3.020 -8.824 -9.736 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.897 -6.031 -10.219 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.899 -7.272 -8.272 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.798 -5.582 -8.725 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.928 -8.141 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.450 -3.982 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.752 -7.487 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.157 -3.345 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.403 -3.997 -4.748 1.00 0.00 H new ATOM 428 N ASN A 26 -2.395 -5.950 -12.124 1.00 0.00 N ATOM 429 CA ASN A 26 -1.439 -5.710 -13.222 1.00 0.00 C ATOM 430 C ASN A 26 -0.283 -4.865 -12.667 1.00 0.00 C ATOM 431 O ASN A 26 -0.471 -3.702 -12.290 1.00 0.00 O ATOM 432 CB ASN A 26 -2.117 -4.986 -14.386 1.00 0.00 C ATOM 433 CG ASN A 26 -1.170 -4.798 -15.581 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.017 -5.204 -15.599 1.00 0.00 O ATOM 435 ND2 ASN A 26 -1.606 -4.028 -16.559 1.00 0.00 N ATOM 0 H ASN A 26 -3.313 -5.525 -12.252 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.065 -6.661 -13.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.993 -5.552 -14.704 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.472 -4.012 -14.049 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.982 -3.774 -17.325 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.567 -3.686 -16.549 1.00 0.00 H new ATOM 442 N GLN A 27 0.902 -5.456 -12.664 1.00 0.00 N ATOM 443 CA GLN A 27 2.136 -4.762 -12.246 1.00 0.00 C ATOM 444 C GLN A 27 2.345 -3.473 -13.031 1.00 0.00 C ATOM 445 O GLN A 27 2.848 -2.518 -12.456 1.00 0.00 O ATOM 446 CB GLN A 27 3.365 -5.647 -12.414 1.00 0.00 C ATOM 447 CG GLN A 27 4.697 -4.925 -12.181 1.00 0.00 C ATOM 448 CD GLN A 27 5.531 -4.790 -13.441 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.077 -4.822 -14.579 1.00 0.00 O ATOM 450 NE2 GLN A 27 6.824 -4.685 -13.221 1.00 0.00 N ATOM 0 H GLN A 27 1.048 -6.425 -12.948 1.00 0.00 H new ATOM 0 HA GLN A 27 2.011 -4.524 -11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.293 -6.485 -11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.363 -6.065 -13.421 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.499 -3.933 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.271 -5.468 -11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.178 -4.660 -12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.472 -4.628 -14.007 1.00 0.00 H new ATOM 459 N ASN A 28 1.901 -3.410 -14.285 1.00 0.00 N ATOM 460 CA ASN A 28 1.925 -2.156 -15.053 1.00 0.00 C ATOM 461 C ASN A 28 1.315 -0.969 -14.303 1.00 0.00 C ATOM 462 O ASN A 28 1.817 0.148 -14.366 1.00 0.00 O ATOM 463 CB ASN A 28 1.181 -2.325 -16.373 1.00 0.00 C ATOM 464 CG ASN A 28 2.138 -2.230 -17.554 1.00 0.00 C ATOM 465 OD1 ASN A 28 3.142 -2.911 -17.667 1.00 0.00 O ATOM 466 ND2 ASN A 28 1.822 -1.330 -18.449 1.00 0.00 N ATOM 0 H ASN A 28 1.520 -4.208 -14.794 1.00 0.00 H new ATOM 0 HA ASN A 28 2.979 -1.936 -15.224 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.674 -3.290 -16.388 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.411 -1.559 -16.461 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.421 -1.187 -19.262 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.976 -0.771 -18.334 1.00 0.00 H new ATOM 473 N LYS A 29 0.377 -1.307 -13.436 1.00 0.00 N ATOM 474 CA LYS A 29 -0.297 -0.348 -12.549 1.00 0.00 C ATOM 475 C LYS A 29 0.424 -0.173 -11.225 1.00 0.00 C ATOM 476 O LYS A 29 0.641 0.959 -10.887 1.00 0.00 O ATOM 477 CB LYS A 29 -1.751 -0.767 -12.354 1.00 0.00 C ATOM 478 CG LYS A 29 -2.599 -0.188 -13.483 1.00 0.00 C ATOM 479 CD LYS A 29 -2.087 -0.390 -14.901 1.00 0.00 C ATOM 480 CE LYS A 29 -3.178 -0.245 -15.947 1.00 0.00 C ATOM 481 NZ LYS A 29 -2.505 -0.609 -17.200 1.00 0.00 N ATOM 0 H LYS A 29 0.051 -2.266 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.274 0.631 -13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.830 -1.854 -12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.117 -0.413 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.596 -0.624 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.708 0.883 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.297 0.333 -15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.640 -1.381 -14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.022 -0.903 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.567 0.772 -15.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.179 -0.540 -17.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.709 0.039 -17.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.150 -1.584 -17.133 1.00 0.00 H new ATOM 495 N ALA A 30 1.099 -1.210 -10.745 1.00 0.00 N ATOM 496 CA ALA A 30 1.950 -1.121 -9.550 1.00 0.00 C ATOM 497 C ALA A 30 3.282 -0.374 -9.823 1.00 0.00 C ATOM 498 O ALA A 30 3.575 0.625 -9.176 1.00 0.00 O ATOM 499 CB ALA A 30 2.212 -2.547 -9.082 1.00 0.00 C ATOM 0 H ALA A 30 1.077 -2.138 -11.168 1.00 0.00 H new ATOM 0 HA ALA A 30 1.441 -0.540 -8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.843 -2.528 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.265 -3.032 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.716 -3.103 -9.873 1.00 0.00 H new ATOM 505 N GLU A 31 3.994 -0.788 -10.868 1.00 0.00 N ATOM 506 CA GLU A 31 5.229 -0.138 -11.354 1.00 0.00 C ATOM 507 C GLU A 31 4.974 1.338 -11.673 1.00 0.00 C ATOM 508 O GLU A 31 5.735 2.185 -11.246 1.00 0.00 O ATOM 509 CB GLU A 31 5.828 -0.890 -12.550 1.00 0.00 C ATOM 510 CG GLU A 31 5.069 -0.787 -13.888 1.00 0.00 C ATOM 511 CD GLU A 31 5.448 0.423 -14.752 1.00 0.00 C ATOM 512 OE1 GLU A 31 6.671 0.712 -14.816 1.00 0.00 O ATOM 513 OE2 GLU A 31 4.536 1.017 -15.356 1.00 0.00 O ATOM 0 H GLU A 31 3.730 -1.604 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 31 5.970 -0.179 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.843 -0.525 -12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.906 -1.944 -12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.248 -1.696 -14.462 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.000 -0.747 -13.681 1.00 0.00 H new ATOM 520 N SER A 32 3.803 1.648 -12.200 1.00 0.00 N ATOM 521 CA SER A 32 3.408 3.046 -12.485 1.00 0.00 C ATOM 522 C SER A 32 2.882 3.764 -11.249 1.00 0.00 C ATOM 523 O SER A 32 3.383 4.824 -10.914 1.00 0.00 O ATOM 524 CB SER A 32 2.376 3.108 -13.596 1.00 0.00 C ATOM 525 OG SER A 32 1.942 4.457 -13.770 1.00 0.00 O ATOM 0 H SER A 32 3.094 0.957 -12.446 1.00 0.00 H new ATOM 0 HA SER A 32 4.312 3.561 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.803 2.730 -14.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.526 2.470 -13.353 1.00 0.00 H new ATOM 0 HG SER A 32 1.277 4.497 -14.489 1.00 0.00 H new ATOM 531 N ASN A 33 2.003 3.123 -10.478 1.00 0.00 N ATOM 532 CA ASN A 33 1.452 3.652 -9.208 1.00 0.00 C ATOM 533 C ASN A 33 2.550 4.079 -8.240 1.00 0.00 C ATOM 534 O ASN A 33 2.427 5.102 -7.576 1.00 0.00 O ATOM 535 CB ASN A 33 0.582 2.630 -8.474 1.00 0.00 C ATOM 536 CG ASN A 33 -0.858 2.549 -8.986 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.211 2.780 -10.137 1.00 0.00 O ATOM 538 ND2 ASN A 33 -1.745 2.162 -8.106 1.00 0.00 N ATOM 0 H ASN A 33 1.640 2.200 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 33 0.849 4.510 -9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.043 1.646 -8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.565 2.879 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.722 2.055 -8.380 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.460 1.968 -7.146 1.00 0.00 H new ATOM 545 N SER A 34 3.630 3.296 -8.262 1.00 0.00 N ATOM 546 CA SER A 34 4.849 3.569 -7.489 1.00 0.00 C ATOM 547 C SER A 34 5.635 4.733 -8.083 1.00 0.00 C ATOM 548 O SER A 34 5.703 5.764 -7.422 1.00 0.00 O ATOM 549 CB SER A 34 5.725 2.324 -7.362 1.00 0.00 C ATOM 550 OG SER A 34 6.275 1.845 -8.578 1.00 0.00 O ATOM 0 H SER A 34 3.686 2.445 -8.822 1.00 0.00 H new ATOM 0 HA SER A 34 4.537 3.856 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.542 2.543 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.133 1.527 -6.911 1.00 0.00 H new ATOM 0 HG SER A 34 5.691 2.098 -9.323 1.00 0.00 H new ATOM 556 N HIS A 35 5.862 4.676 -9.398 1.00 0.00 N ATOM 557 CA HIS A 35 6.565 5.728 -10.158 1.00 0.00 C ATOM 558 C HIS A 35 5.787 7.065 -10.223 1.00 0.00 C ATOM 559 O HIS A 35 6.333 8.096 -10.606 1.00 0.00 O ATOM 560 CB HIS A 35 6.896 5.220 -11.570 1.00 0.00 C ATOM 561 CG HIS A 35 7.877 4.032 -11.649 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.336 3.274 -10.658 1.00 0.00 N flip ATOM 563 CD2 HIS A 35 8.256 3.445 -12.781 1.00 0.00 C flip ATOM 564 CE1 HIS A 35 8.956 2.214 -11.176 1.00 0.00 C flip ATOM 565 NE2 HIS A 35 8.914 2.330 -12.501 1.00 0.00 N flip ATOM 0 H HIS A 35 5.562 3.892 -9.977 1.00 0.00 H new ATOM 0 HA HIS A 35 7.487 5.945 -9.619 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.965 4.930 -12.058 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.312 6.048 -12.144 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.058 3.820 -13.774 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.410 1.407 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.315 1.680 -13.177 1.00 0.00 H new ATOM 574 N HIS A 36 4.525 7.015 -9.808 1.00 0.00 N ATOM 575 CA HIS A 36 3.596 8.148 -9.744 1.00 0.00 C ATOM 576 C HIS A 36 3.619 8.770 -8.339 1.00 0.00 C ATOM 577 O HIS A 36 4.119 9.873 -8.167 1.00 0.00 O ATOM 578 CB HIS A 36 2.190 7.689 -10.133 1.00 0.00 C ATOM 579 CG HIS A 36 1.675 8.470 -11.341 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.769 9.442 -11.306 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.050 8.301 -12.604 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.576 9.865 -12.546 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.371 9.161 -13.349 1.00 0.00 N ATOM 0 H HIS A 36 4.098 6.144 -9.491 1.00 0.00 H new ATOM 0 HA HIS A 36 3.907 8.916 -10.452 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.202 6.623 -10.362 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.512 7.826 -9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.779 7.589 -12.961 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.106 10.644 -12.852 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.445 9.265 -14.361 1.00 0.00 H new ATOM 592 N ALA A 37 3.107 8.012 -7.357 1.00 0.00 N ATOM 593 CA ALA A 37 3.139 8.404 -5.929 1.00 0.00 C ATOM 594 C ALA A 37 4.510 8.962 -5.498 1.00 0.00 C ATOM 595 O ALA A 37 5.540 8.532 -6.014 1.00 0.00 O ATOM 596 CB ALA A 37 2.755 7.184 -5.077 1.00 0.00 C ATOM 0 H ALA A 37 2.659 7.111 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 37 2.423 9.212 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.774 7.457 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.753 6.852 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.466 6.377 -5.256 1.00 0.00 H new ATOM 602 N PRO A 38 4.519 9.989 -4.635 1.00 0.00 N ATOM 603 CA PRO A 38 5.752 10.639 -4.192 1.00 0.00 C ATOM 604 C PRO A 38 6.518 9.685 -3.286 1.00 0.00 C ATOM 605 O PRO A 38 5.949 8.946 -2.484 1.00 0.00 O ATOM 606 CB PRO A 38 5.323 11.915 -3.464 1.00 0.00 C ATOM 607 CG PRO A 38 3.912 11.629 -2.957 1.00 0.00 C ATOM 608 CD PRO A 38 3.369 10.594 -3.943 1.00 0.00 C ATOM 0 HA PRO A 38 6.418 10.894 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.999 12.145 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.334 12.774 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.925 11.242 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.300 12.531 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.794 9.831 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.696 11.065 -4.659 1.00 0.00 H new ATOM 616 N LEU A 39 7.818 9.713 -3.484 1.00 0.00 N ATOM 617 CA LEU A 39 8.740 8.895 -2.705 1.00 0.00 C ATOM 618 C LEU A 39 8.988 9.474 -1.306 1.00 0.00 C ATOM 619 O LEU A 39 9.939 10.206 -1.057 1.00 0.00 O ATOM 620 CB LEU A 39 10.036 8.804 -3.501 1.00 0.00 C ATOM 621 CG LEU A 39 10.022 7.611 -4.450 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.287 7.695 -5.308 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.929 6.280 -3.695 1.00 0.00 C ATOM 0 H LEU A 39 8.271 10.299 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 39 8.312 7.906 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.181 9.722 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.880 8.717 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 39 9.136 7.646 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.312 6.855 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.285 8.629 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.166 7.661 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.922 5.456 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.788 6.177 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.011 6.259 -3.107 1.00 0.00 H new ATOM 635 N SER A 40 8.038 9.171 -0.432 1.00 0.00 N ATOM 636 CA SER A 40 8.060 9.640 0.964 1.00 0.00 C ATOM 637 C SER A 40 7.124 8.767 1.814 1.00 0.00 C ATOM 638 O SER A 40 6.091 8.301 1.329 1.00 0.00 O ATOM 639 CB SER A 40 7.676 11.124 1.074 1.00 0.00 C ATOM 640 OG SER A 40 6.277 11.277 1.308 1.00 0.00 O ATOM 0 H SER A 40 7.228 8.595 -0.661 1.00 0.00 H new ATOM 0 HA SER A 40 9.079 9.548 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.236 11.589 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.953 11.643 0.157 1.00 0.00 H new ATOM 0 HG SER A 40 5.878 11.798 0.580 1.00 0.00 H new ATOM 646 N ASP A 41 7.480 8.633 3.081 1.00 0.00 N ATOM 647 CA ASP A 41 6.657 7.917 4.066 1.00 0.00 C ATOM 648 C ASP A 41 5.781 8.943 4.786 1.00 0.00 C ATOM 649 O ASP A 41 6.317 9.870 5.406 1.00 0.00 O ATOM 650 CB ASP A 41 7.554 7.176 5.073 1.00 0.00 C ATOM 651 CG ASP A 41 6.873 6.961 6.428 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.798 6.327 6.459 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.349 7.586 7.397 1.00 0.00 O ATOM 0 H ASP A 41 8.345 9.014 3.464 1.00 0.00 H new ATOM 0 HA ASP A 41 6.032 7.176 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.838 6.209 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.473 7.743 5.219 1.00 0.00 H new ATOM 658 N GLY A 42 4.490 8.642 4.793 1.00 0.00 N ATOM 659 CA GLY A 42 3.473 9.434 5.526 1.00 0.00 C ATOM 660 C GLY A 42 3.721 10.938 5.382 1.00 0.00 C ATOM 661 O GLY A 42 4.251 11.588 6.296 1.00 0.00 O ATOM 0 H GLY A 42 4.102 7.842 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.480 9.190 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.489 9.161 6.581 1.00 0.00 H new ATOM 665 N LYS A 43 3.540 11.417 4.151 1.00 0.00 N ATOM 666 CA LYS A 43 3.752 12.835 3.830 1.00 0.00 C ATOM 667 C LYS A 43 2.828 13.318 2.699 1.00 0.00 C ATOM 668 O LYS A 43 3.097 14.252 1.938 1.00 0.00 O ATOM 669 CB LYS A 43 5.217 13.069 3.445 1.00 0.00 C ATOM 670 CG LYS A 43 5.697 14.438 3.926 1.00 0.00 C ATOM 671 CD LYS A 43 6.105 14.345 5.396 1.00 0.00 C ATOM 672 CE LYS A 43 5.738 15.608 6.165 1.00 0.00 C ATOM 673 NZ LYS A 43 6.795 15.916 7.136 1.00 0.00 N ATOM 0 H LYS A 43 3.247 10.847 3.358 1.00 0.00 H new ATOM 0 HA LYS A 43 3.507 13.413 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.840 12.288 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.328 13.000 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.541 14.772 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.905 15.177 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.617 13.485 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.180 14.176 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.609 16.442 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.787 15.470 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.753 16.924 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.659 15.340 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.723 15.702 6.719 1.00 0.00 H new ATOM 687 N THR A 44 1.663 12.689 2.667 1.00 0.00 N ATOM 688 CA THR A 44 0.677 12.959 1.626 1.00 0.00 C ATOM 689 C THR A 44 -0.696 13.003 2.284 1.00 0.00 C ATOM 690 O THR A 44 -0.841 12.735 3.479 1.00 0.00 O ATOM 691 CB THR A 44 0.779 11.891 0.536 1.00 0.00 C ATOM 692 OG1 THR A 44 2.097 11.325 0.530 1.00 0.00 O ATOM 693 CG2 THR A 44 0.540 12.496 -0.841 1.00 0.00 C ATOM 0 H THR A 44 1.375 11.987 3.349 1.00 0.00 H new ATOM 0 HA THR A 44 0.855 13.918 1.140 1.00 0.00 H new ATOM 0 HB THR A 44 0.026 11.132 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.054 10.400 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.618 11.717 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.456 12.938 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.286 13.266 -1.034 1.00 0.00 H new ATOM 701 N GLY A 45 -1.707 13.272 1.460 1.00 0.00 N ATOM 702 CA GLY A 45 -3.095 13.411 1.908 1.00 0.00 C ATOM 703 C GLY A 45 -3.587 12.194 2.697 1.00 0.00 C ATOM 704 O GLY A 45 -3.702 12.237 3.917 1.00 0.00 O ATOM 0 H GLY A 45 -1.587 13.401 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.184 14.302 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.739 13.561 1.041 1.00 0.00 H new ATOM 708 N SER A 46 -3.752 11.098 1.983 1.00 0.00 N ATOM 709 CA SER A 46 -4.151 9.800 2.583 1.00 0.00 C ATOM 710 C SER A 46 -3.071 9.220 3.501 1.00 0.00 C ATOM 711 O SER A 46 -3.277 8.135 4.059 1.00 0.00 O ATOM 712 CB SER A 46 -4.454 8.758 1.504 1.00 0.00 C ATOM 713 OG SER A 46 -3.234 8.222 0.973 1.00 0.00 O ATOM 0 H SER A 46 -3.618 11.062 0.972 1.00 0.00 H new ATOM 0 HA SER A 46 -5.044 10.013 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.059 7.955 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.038 9.212 0.704 1.00 0.00 H new ATOM 0 HG SER A 46 -2.972 7.431 1.489 1.00 0.00 H new ATOM 719 N SER A 47 -1.900 9.882 3.526 1.00 0.00 N ATOM 720 CA SER A 47 -0.680 9.521 4.290 1.00 0.00 C ATOM 721 C SER A 47 0.145 8.462 3.532 1.00 0.00 C ATOM 722 O SER A 47 1.148 7.925 4.004 1.00 0.00 O ATOM 723 CB SER A 47 -1.076 9.053 5.697 1.00 0.00 C ATOM 724 OG SER A 47 -0.009 9.057 6.642 1.00 0.00 O ATOM 0 H SER A 47 -1.767 10.735 2.983 1.00 0.00 H new ATOM 0 HA SER A 47 -0.041 10.398 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.876 9.694 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.482 8.044 5.630 1.00 0.00 H new ATOM 0 HG SER A 47 -0.341 8.749 7.511 1.00 0.00 H new ATOM 730 N TYR A 48 -0.213 8.294 2.261 1.00 0.00 N ATOM 731 CA TYR A 48 0.410 7.339 1.336 1.00 0.00 C ATOM 732 C TYR A 48 1.327 8.001 0.308 1.00 0.00 C ATOM 733 O TYR A 48 0.949 9.010 -0.273 1.00 0.00 O ATOM 734 CB TYR A 48 -0.672 6.501 0.643 1.00 0.00 C ATOM 735 CG TYR A 48 -1.311 5.475 1.581 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.526 4.704 2.468 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.714 5.300 1.490 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.155 3.733 3.277 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.342 4.325 2.286 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.545 3.557 3.165 1.00 0.00 C ATOM 741 OH TYR A 48 -3.149 2.605 3.913 1.00 0.00 O ATOM 0 H TYR A 48 -0.965 8.832 1.830 1.00 0.00 H new ATOM 0 HA TYR A 48 1.050 6.690 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.445 7.163 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.235 5.984 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.542 4.856 2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.296 5.910 0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.579 3.137 3.969 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.409 4.167 2.227 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.817 3.022 4.496 1.00 0.00 H new ATOM 751 N PRO A 49 2.419 7.330 -0.051 1.00 0.00 N ATOM 752 CA PRO A 49 2.774 5.989 0.430 1.00 0.00 C ATOM 753 C PRO A 49 3.416 5.995 1.819 1.00 0.00 C ATOM 754 O PRO A 49 3.959 7.007 2.259 1.00 0.00 O ATOM 755 CB PRO A 49 3.632 5.427 -0.686 1.00 0.00 C ATOM 756 CG PRO A 49 4.320 6.634 -1.300 1.00 0.00 C ATOM 757 CD PRO A 49 3.341 7.794 -1.107 1.00 0.00 C ATOM 0 HA PRO A 49 1.908 5.353 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.359 4.711 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.025 4.901 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.272 6.836 -0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.534 6.471 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.860 8.705 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.806 8.019 -2.030 1.00 0.00 H new ATOM 765 N HIS A 50 2.944 5.040 2.600 1.00 0.00 N ATOM 766 CA HIS A 50 3.441 4.925 3.976 1.00 0.00 C ATOM 767 C HIS A 50 4.640 3.973 3.996 1.00 0.00 C ATOM 768 O HIS A 50 4.885 3.222 3.056 1.00 0.00 O ATOM 769 CB HIS A 50 2.315 4.492 4.931 1.00 0.00 C ATOM 770 CG HIS A 50 1.915 3.002 4.959 1.00 0.00 C ATOM 771 ND1 HIS A 50 2.219 2.043 4.089 1.00 0.00 N flip ATOM 772 CD2 HIS A 50 1.288 2.425 5.976 1.00 0.00 C flip ATOM 773 CE1 HIS A 50 1.812 0.881 4.586 1.00 0.00 C flip ATOM 774 NE2 HIS A 50 1.227 1.110 5.749 1.00 0.00 N flip ATOM 0 H HIS A 50 2.243 4.351 2.327 1.00 0.00 H new ATOM 0 HA HIS A 50 3.780 5.897 4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.608 4.777 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.426 5.071 4.681 1.00 0.00 H new ATOM 0 HD1 HIS A 50 2.686 2.177 3.192 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.893 2.934 6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.937 -0.085 4.120 1.00 0.00 H new ATOM 783 N TRP A 51 5.344 4.015 5.103 1.00 0.00 N ATOM 784 CA TRP A 51 6.461 3.096 5.353 1.00 0.00 C ATOM 785 C TRP A 51 5.889 1.744 5.742 1.00 0.00 C ATOM 786 O TRP A 51 5.060 1.586 6.652 1.00 0.00 O ATOM 787 CB TRP A 51 7.384 3.662 6.421 1.00 0.00 C ATOM 788 CG TRP A 51 8.284 2.624 7.096 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.266 1.921 6.553 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.168 2.274 8.434 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.819 1.144 7.485 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.188 1.331 8.642 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.323 2.687 9.482 1.00 0.00 C ATOM 794 CZ2 TRP A 51 9.390 0.797 9.929 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.531 2.162 10.768 1.00 0.00 C ATOM 796 CH2 TRP A 51 8.556 1.215 10.984 1.00 0.00 C ATOM 0 H TRP A 51 5.171 4.677 5.859 1.00 0.00 H new ATOM 0 HA TRP A 51 7.066 2.973 4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.012 4.431 5.971 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.779 4.151 7.184 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.571 1.969 5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.602 0.507 7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.528 3.395 9.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.175 0.076 10.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.908 2.482 11.590 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.702 0.805 11.973 1.00 0.00 H new ATOM 807 N PHE A 52 6.419 0.786 5.018 1.00 0.00 N ATOM 808 CA PHE A 52 6.071 -0.606 5.227 1.00 0.00 C ATOM 809 C PHE A 52 7.170 -1.195 6.105 1.00 0.00 C ATOM 810 O PHE A 52 8.234 -1.567 5.620 1.00 0.00 O ATOM 811 CB PHE A 52 6.017 -1.306 3.882 1.00 0.00 C ATOM 812 CG PHE A 52 5.448 -2.720 3.974 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.400 -3.019 4.880 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.066 -3.716 3.203 1.00 0.00 C ATOM 815 CE1 PHE A 52 3.996 -4.363 5.055 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.652 -5.054 3.362 1.00 0.00 C ATOM 817 CZ PHE A 52 4.648 -5.366 4.308 1.00 0.00 C ATOM 0 H PHE A 52 7.098 0.944 4.273 1.00 0.00 H new ATOM 0 HA PHE A 52 5.099 -0.724 5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.408 -0.718 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.021 -1.350 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.914 -2.228 5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.845 -3.462 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.205 -4.616 5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.099 -5.836 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.373 -6.399 4.462 1.00 0.00 H new ATOM 827 N THR A 53 6.828 -1.260 7.386 1.00 0.00 N ATOM 828 CA THR A 53 7.643 -1.909 8.427 1.00 0.00 C ATOM 829 C THR A 53 8.309 -3.183 7.887 1.00 0.00 C ATOM 830 O THR A 53 9.491 -3.415 8.092 1.00 0.00 O ATOM 831 CB THR A 53 6.792 -2.263 9.656 1.00 0.00 C ATOM 832 OG1 THR A 53 5.739 -3.155 9.303 1.00 0.00 O ATOM 833 CG2 THR A 53 6.156 -1.035 10.324 1.00 0.00 C ATOM 0 H THR A 53 5.962 -0.858 7.746 1.00 0.00 H new ATOM 0 HA THR A 53 8.415 -1.199 8.723 1.00 0.00 H new ATOM 0 HB THR A 53 7.481 -2.727 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.210 -3.369 10.100 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.568 -1.353 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.940 -0.352 10.652 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.508 -0.527 9.610 1.00 0.00 H new ATOM 841 N ASN A 54 7.539 -3.900 7.068 1.00 0.00 N ATOM 842 CA ASN A 54 7.943 -5.165 6.424 1.00 0.00 C ATOM 843 C ASN A 54 8.385 -6.172 7.499 1.00 0.00 C ATOM 844 O ASN A 54 9.223 -7.019 7.274 1.00 0.00 O ATOM 845 CB ASN A 54 9.047 -4.885 5.386 1.00 0.00 C ATOM 846 CG ASN A 54 9.310 -6.098 4.479 1.00 0.00 C ATOM 847 OD1 ASN A 54 10.395 -6.638 4.366 1.00 0.00 O ATOM 848 ND2 ASN A 54 8.252 -6.573 3.858 1.00 0.00 N ATOM 0 H ASN A 54 6.591 -3.615 6.823 1.00 0.00 H new ATOM 0 HA ASN A 54 7.101 -5.608 5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.759 -4.031 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.968 -4.612 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.335 -7.404 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.349 -6.110 3.962 1.00 0.00 H new ATOM 855 N GLY A 55 7.868 -5.934 8.706 1.00 0.00 N ATOM 856 CA GLY A 55 8.227 -6.674 9.921 1.00 0.00 C ATOM 857 C GLY A 55 9.246 -5.887 10.754 1.00 0.00 C ATOM 858 O GLY A 55 9.194 -5.941 11.976 1.00 0.00 O ATOM 0 H GLY A 55 7.173 -5.206 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.333 -6.863 10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.642 -7.645 9.652 1.00 0.00 H new ATOM 862 N TYR A 56 10.162 -5.173 10.106 1.00 0.00 N ATOM 863 CA TYR A 56 11.221 -4.399 10.768 1.00 0.00 C ATOM 864 C TYR A 56 10.685 -3.042 11.257 1.00 0.00 C ATOM 865 O TYR A 56 9.694 -2.519 10.761 1.00 0.00 O ATOM 866 CB TYR A 56 12.365 -4.149 9.782 1.00 0.00 C ATOM 867 CG TYR A 56 12.712 -5.378 8.925 1.00 0.00 C ATOM 868 CD1 TYR A 56 13.642 -6.312 9.411 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.146 -5.496 7.636 1.00 0.00 C ATOM 870 CE1 TYR A 56 14.006 -7.405 8.596 1.00 0.00 C ATOM 871 CE2 TYR A 56 12.535 -6.561 6.801 1.00 0.00 C ATOM 872 CZ TYR A 56 13.452 -7.508 7.304 1.00 0.00 C ATOM 873 OH TYR A 56 13.762 -8.606 6.575 1.00 0.00 O ATOM 0 H TYR A 56 10.194 -5.112 9.088 1.00 0.00 H new ATOM 0 HA TYR A 56 11.576 -4.971 11.625 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.095 -3.322 9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.251 -3.840 10.336 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.072 -6.195 10.395 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.420 -4.774 7.293 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.698 -8.151 8.957 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.141 -6.651 5.800 1.00 0.00 H new ATOM 0 HH TYR A 56 13.316 -8.557 5.704 1.00 0.00 H new ATOM 883 N ASP A 57 11.338 -2.489 12.269 1.00 0.00 N ATOM 884 CA ASP A 57 10.959 -1.201 12.866 1.00 0.00 C ATOM 885 C ASP A 57 11.534 -0.076 11.991 1.00 0.00 C ATOM 886 O ASP A 57 12.149 -0.339 10.960 1.00 0.00 O ATOM 887 CB ASP A 57 11.514 -1.097 14.296 1.00 0.00 C ATOM 888 CG ASP A 57 11.110 -2.231 15.250 1.00 0.00 C ATOM 889 OD1 ASP A 57 9.941 -2.655 15.223 1.00 0.00 O ATOM 890 OD2 ASP A 57 12.036 -2.631 15.993 1.00 0.00 O ATOM 0 H ASP A 57 12.153 -2.919 12.707 1.00 0.00 H new ATOM 0 HA ASP A 57 9.873 -1.117 12.916 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.602 -1.062 14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.186 -0.151 14.726 1.00 0.00 H new ATOM 895 N GLY A 58 11.446 1.155 12.508 1.00 0.00 N ATOM 896 CA GLY A 58 12.048 2.363 11.891 1.00 0.00 C ATOM 897 C GLY A 58 13.541 2.157 11.563 1.00 0.00 C ATOM 898 O GLY A 58 14.073 2.705 10.614 1.00 0.00 O ATOM 0 H GLY A 58 10.950 1.352 13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.507 2.613 10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.938 3.210 12.568 1.00 0.00 H new ATOM 1029 N THR A 67 8.660 -11.690 11.003 1.00 0.00 N ATOM 1030 CA THR A 67 8.076 -12.298 9.788 1.00 0.00 C ATOM 1031 C THR A 67 8.123 -11.356 8.568 1.00 0.00 C ATOM 1032 O THR A 67 7.093 -10.928 8.019 1.00 0.00 O ATOM 1033 CB THR A 67 6.681 -12.867 10.084 1.00 0.00 C ATOM 1034 OG1 THR A 67 6.329 -13.722 8.997 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.583 -11.816 10.364 1.00 0.00 C ATOM 0 HA THR A 67 8.702 -13.142 9.499 1.00 0.00 H new ATOM 0 HB THR A 67 6.740 -13.416 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.441 -14.104 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.637 -12.321 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.863 -11.219 11.232 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.473 -11.165 9.497 1.00 0.00 H new ATOM 1043 N PRO A 68 9.336 -10.966 8.155 1.00 0.00 N ATOM 1044 CA PRO A 68 9.478 -10.021 7.046 1.00 0.00 C ATOM 1045 C PRO A 68 9.232 -10.727 5.719 1.00 0.00 C ATOM 1046 O PRO A 68 9.952 -11.669 5.395 1.00 0.00 O ATOM 1047 CB PRO A 68 10.905 -9.516 7.172 1.00 0.00 C ATOM 1048 CG PRO A 68 11.686 -10.574 7.935 1.00 0.00 C ATOM 1049 CD PRO A 68 10.650 -11.411 8.665 1.00 0.00 C ATOM 0 HA PRO A 68 8.760 -9.202 7.078 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.343 -9.348 6.188 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.931 -8.562 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.277 -11.189 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.382 -10.115 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.803 -12.474 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.720 -11.266 9.743 1.00 0.00 H new ATOM 1057 N ILE A 69 8.141 -10.349 5.070 1.00 0.00 N ATOM 1058 CA ILE A 69 7.764 -10.904 3.755 1.00 0.00 C ATOM 1059 C ILE A 69 9.022 -11.072 2.874 1.00 0.00 C ATOM 1060 O ILE A 69 9.666 -10.100 2.493 1.00 0.00 O ATOM 1061 CB ILE A 69 6.656 -10.085 3.043 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.319 -10.391 3.731 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.611 -10.323 1.521 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.103 -9.698 3.116 1.00 0.00 C ATOM 0 H ILE A 69 7.487 -9.653 5.428 1.00 0.00 H new ATOM 0 HA ILE A 69 7.325 -11.887 3.926 1.00 0.00 H new ATOM 0 HB ILE A 69 6.880 -9.023 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.154 -11.468 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.392 -10.101 4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.815 -9.721 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.566 -10.038 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.420 -11.378 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.207 -9.976 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.238 -8.617 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.996 -10.006 2.076 1.00 0.00 H new ATOM 1076 N LYS A 70 9.331 -12.344 2.656 1.00 0.00 N ATOM 1077 CA LYS A 70 10.492 -12.727 1.851 1.00 0.00 C ATOM 1078 C LYS A 70 10.130 -12.696 0.367 1.00 0.00 C ATOM 1079 O LYS A 70 9.291 -13.448 -0.127 1.00 0.00 O ATOM 1080 CB LYS A 70 11.072 -14.070 2.339 1.00 0.00 C ATOM 1081 CG LYS A 70 10.166 -15.287 2.172 1.00 0.00 C ATOM 1082 CD LYS A 70 10.648 -16.139 0.987 1.00 0.00 C ATOM 1083 CE LYS A 70 9.576 -17.104 0.512 1.00 0.00 C ATOM 1084 NZ LYS A 70 10.005 -17.707 -0.760 1.00 0.00 N ATOM 0 H LYS A 70 8.796 -13.131 3.024 1.00 0.00 H new ATOM 0 HA LYS A 70 11.296 -12.003 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.003 -14.258 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.326 -13.972 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.170 -15.883 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.138 -14.966 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.939 -15.486 0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.537 -16.698 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.410 -17.880 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.629 -16.580 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.276 -18.370 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.143 -16.959 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.899 -18.219 -0.618 1.00 0.00 H new ATOM 1098 N PHE A 71 10.610 -11.640 -0.263 1.00 0.00 N ATOM 1099 CA PHE A 71 10.363 -11.419 -1.691 1.00 0.00 C ATOM 1100 C PHE A 71 11.269 -12.297 -2.574 1.00 0.00 C ATOM 1101 O PHE A 71 10.823 -12.862 -3.570 1.00 0.00 O ATOM 1102 CB PHE A 71 10.588 -9.947 -2.017 1.00 0.00 C ATOM 1103 CG PHE A 71 9.551 -9.039 -1.347 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.369 -8.709 -2.060 1.00 0.00 C ATOM 1105 CD2 PHE A 71 9.820 -8.477 -0.081 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.440 -7.800 -1.489 1.00 0.00 C ATOM 1107 CE2 PHE A 71 8.891 -7.568 0.490 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.715 -7.254 -0.219 1.00 0.00 C ATOM 0 H PHE A 71 11.174 -10.917 0.184 1.00 0.00 H new ATOM 0 HA PHE A 71 9.331 -11.698 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.587 -9.654 -1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.548 -9.806 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.178 -9.146 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.725 -8.736 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.538 -7.531 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.083 -7.123 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.002 -6.574 0.224 1.00 0.00 H new ATOM 1118 N GLY A 72 12.526 -12.365 -2.158 1.00 0.00 N ATOM 1119 CA GLY A 72 13.588 -13.119 -2.847 1.00 0.00 C ATOM 1120 C GLY A 72 14.627 -12.194 -3.502 1.00 0.00 C ATOM 1121 O GLY A 72 15.408 -12.618 -4.347 1.00 0.00 O ATOM 0 H GLY A 72 12.852 -11.891 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.087 -13.775 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.142 -13.758 -3.609 1.00 0.00 H new ATOM 1125 N LYS A 73 14.640 -10.939 -3.060 1.00 0.00 N ATOM 1126 CA LYS A 73 15.622 -9.954 -3.507 1.00 0.00 C ATOM 1127 C LYS A 73 16.756 -9.830 -2.470 1.00 0.00 C ATOM 1128 O LYS A 73 16.870 -10.639 -1.558 1.00 0.00 O ATOM 1129 CB LYS A 73 14.889 -8.620 -3.729 1.00 0.00 C ATOM 1130 CG LYS A 73 14.796 -8.220 -5.208 1.00 0.00 C ATOM 1131 CD LYS A 73 16.158 -7.863 -5.798 1.00 0.00 C ATOM 1132 CE LYS A 73 15.951 -7.030 -7.051 1.00 0.00 C ATOM 1133 NZ LYS A 73 17.185 -6.935 -7.847 1.00 0.00 N ATOM 0 H LYS A 73 13.970 -10.576 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 73 16.086 -10.261 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.883 -8.692 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.405 -7.833 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.360 -9.041 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.124 -7.368 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.750 -7.308 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.714 -8.769 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.160 -7.472 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.618 -6.030 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.008 -6.359 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.933 -6.490 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.488 -7.888 -8.133 1.00 0.00 H new ATOM 1147 N SER A 74 17.543 -8.781 -2.625 1.00 0.00 N ATOM 1148 CA SER A 74 18.725 -8.550 -1.763 1.00 0.00 C ATOM 1149 C SER A 74 18.631 -7.197 -1.042 1.00 0.00 C ATOM 1150 O SER A 74 18.436 -7.173 0.165 1.00 0.00 O ATOM 1151 CB SER A 74 19.994 -8.631 -2.612 1.00 0.00 C ATOM 1152 OG SER A 74 21.055 -9.088 -1.780 1.00 0.00 O ATOM 0 H SER A 74 17.398 -8.065 -3.337 1.00 0.00 H new ATOM 0 HA SER A 74 18.759 -9.323 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.848 -9.312 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.234 -7.654 -3.032 1.00 0.00 H new ATOM 0 HG SER A 74 21.880 -9.149 -2.306 1.00 0.00 H new ATOM 1158 N ASP A 75 18.422 -6.140 -1.824 1.00 0.00 N ATOM 1159 CA ASP A 75 18.168 -4.784 -1.304 1.00 0.00 C ATOM 1160 C ASP A 75 16.753 -4.614 -0.740 1.00 0.00 C ATOM 1161 O ASP A 75 16.532 -3.845 0.189 1.00 0.00 O ATOM 1162 CB ASP A 75 18.402 -3.694 -2.356 1.00 0.00 C ATOM 1163 CG ASP A 75 19.880 -3.411 -2.635 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.680 -3.457 -1.672 1.00 0.00 O ATOM 1165 OD2 ASP A 75 20.169 -3.187 -3.830 1.00 0.00 O ATOM 0 H ASP A 75 18.423 -6.193 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 75 18.889 -4.666 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.917 -3.990 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.922 -2.773 -2.025 1.00 0.00 H new ATOM 1170 N CYS A 76 15.808 -5.323 -1.349 1.00 0.00 N ATOM 1171 CA CYS A 76 14.412 -5.338 -0.881 1.00 0.00 C ATOM 1172 C CYS A 76 14.243 -6.165 0.396 1.00 0.00 C ATOM 1173 O CYS A 76 13.392 -5.856 1.228 1.00 0.00 O ATOM 1174 CB CYS A 76 13.538 -5.829 -2.023 1.00 0.00 C ATOM 1175 SG CYS A 76 11.811 -6.181 -1.568 1.00 0.00 S ATOM 0 H CYS A 76 15.977 -5.900 -2.173 1.00 0.00 H new ATOM 0 HA CYS A 76 14.102 -4.331 -0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.545 -5.080 -2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.981 -6.734 -2.437 1.00 0.00 H new ATOM 1180 N ASP A 77 15.085 -7.192 0.538 1.00 0.00 N ATOM 1181 CA ASP A 77 15.160 -7.996 1.766 1.00 0.00 C ATOM 1182 C ASP A 77 16.013 -7.312 2.856 1.00 0.00 C ATOM 1183 O ASP A 77 15.967 -7.710 4.018 1.00 0.00 O ATOM 1184 CB ASP A 77 15.737 -9.379 1.429 1.00 0.00 C ATOM 1185 CG ASP A 77 15.892 -10.293 2.656 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.912 -11.005 2.961 1.00 0.00 O ATOM 1187 OD2 ASP A 77 17.000 -10.255 3.233 1.00 0.00 O ATOM 0 H ASP A 77 15.733 -7.491 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 77 14.152 -8.099 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.089 -9.867 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.710 -9.252 0.955 1.00 0.00 H new ATOM 1192 N ARG A 78 16.844 -6.349 2.432 1.00 0.00 N ATOM 1193 CA ARG A 78 17.745 -5.591 3.311 1.00 0.00 C ATOM 1194 C ARG A 78 16.976 -4.843 4.424 1.00 0.00 C ATOM 1195 O ARG A 78 15.749 -4.730 4.339 1.00 0.00 O ATOM 1196 CB ARG A 78 18.578 -4.614 2.463 1.00 0.00 C ATOM 1197 CG ARG A 78 20.045 -5.066 2.379 1.00 0.00 C ATOM 1198 CD ARG A 78 21.002 -3.920 2.700 1.00 0.00 C ATOM 1199 NE ARG A 78 21.804 -4.194 3.918 1.00 0.00 N ATOM 1200 CZ ARG A 78 22.510 -3.290 4.613 1.00 0.00 C ATOM 1201 NH1 ARG A 78 22.514 -2.009 4.280 1.00 0.00 N ATOM 1202 NH2 ARG A 78 23.200 -3.661 5.690 1.00 0.00 N ATOM 0 H ARG A 78 16.910 -6.071 1.453 1.00 0.00 H new ATOM 0 HA ARG A 78 18.410 -6.295 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 78 18.157 -4.548 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.526 -3.615 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.214 -5.888 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.253 -5.446 1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 78 21.670 -3.757 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.434 -3.000 2.839 1.00 0.00 H new ATOM 0 HE ARG A 78 21.820 -5.156 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.971 -1.689 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.060 -1.342 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.193 -4.636 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.736 -2.970 6.216 1.00 0.00 H new ATOM 1216 N PRO A 79 17.655 -4.408 5.507 1.00 0.00 N ATOM 1217 CA PRO A 79 17.007 -3.677 6.606 1.00 0.00 C ATOM 1218 C PRO A 79 16.518 -2.294 6.155 1.00 0.00 C ATOM 1219 O PRO A 79 17.316 -1.519 5.620 1.00 0.00 O ATOM 1220 CB PRO A 79 18.045 -3.616 7.726 1.00 0.00 C ATOM 1221 CG PRO A 79 19.385 -3.726 6.994 1.00 0.00 C ATOM 1222 CD PRO A 79 19.062 -4.680 5.844 1.00 0.00 C ATOM 0 HA PRO A 79 16.103 -4.178 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.972 -2.685 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.911 -4.430 8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.729 -2.757 6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 79 20.168 -4.122 7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.714 -4.502 4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.203 -5.719 6.142 1.00 0.00 H new ATOM 1230 N PRO A 80 15.217 -2.025 6.257 1.00 0.00 N ATOM 1231 CA PRO A 80 14.605 -0.754 5.857 1.00 0.00 C ATOM 1232 C PRO A 80 14.950 0.332 6.869 1.00 0.00 C ATOM 1233 O PRO A 80 14.384 0.406 7.959 1.00 0.00 O ATOM 1234 CB PRO A 80 13.098 -1.029 5.756 1.00 0.00 C ATOM 1235 CG PRO A 80 12.861 -2.184 6.728 1.00 0.00 C ATOM 1236 CD PRO A 80 14.183 -2.960 6.755 1.00 0.00 C ATOM 0 HA PRO A 80 14.976 -0.388 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.514 -0.151 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.810 -1.298 4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.599 -1.817 7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.039 -2.817 6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.416 -3.298 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.126 -3.849 6.127 1.00 0.00 H new ATOM 1244 N LYS A 81 15.844 1.219 6.428 1.00 0.00 N ATOM 1245 CA LYS A 81 16.322 2.301 7.286 1.00 0.00 C ATOM 1246 C LYS A 81 15.388 3.517 7.178 1.00 0.00 C ATOM 1247 O LYS A 81 15.710 4.546 6.586 1.00 0.00 O ATOM 1248 CB LYS A 81 17.775 2.637 6.928 1.00 0.00 C ATOM 1249 CG LYS A 81 18.564 3.094 8.155 1.00 0.00 C ATOM 1250 CD LYS A 81 19.849 2.283 8.247 1.00 0.00 C ATOM 1251 CE LYS A 81 20.642 2.584 9.524 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.570 3.708 9.320 1.00 0.00 N ATOM 0 H LYS A 81 16.247 1.209 5.491 1.00 0.00 H new ATOM 0 HA LYS A 81 16.307 1.985 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.255 1.761 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.792 3.421 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.794 4.157 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.968 2.959 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.608 1.221 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.472 2.495 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 81 19.954 2.820 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 81 21.200 1.698 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.094 3.890 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.240 3.471 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.033 4.558 9.055 1.00 0.00 H new ATOM 1266 N HIS A 82 14.217 3.349 7.782 1.00 0.00 N ATOM 1267 CA HIS A 82 13.184 4.405 7.831 1.00 0.00 C ATOM 1268 C HIS A 82 13.516 5.460 8.894 1.00 0.00 C ATOM 1269 O HIS A 82 13.654 5.195 10.082 1.00 0.00 O ATOM 1270 CB HIS A 82 11.814 3.754 8.059 1.00 0.00 C ATOM 1271 CG HIS A 82 10.742 4.718 8.570 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.505 4.916 9.860 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.910 5.474 7.873 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.497 5.766 9.977 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.136 6.113 8.742 1.00 0.00 N ATOM 0 H HIS A 82 13.947 2.485 8.253 1.00 0.00 H new ATOM 0 HA HIS A 82 13.158 4.936 6.879 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.473 3.312 7.123 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.925 2.939 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.868 5.556 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.052 6.112 10.898 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.387 6.763 8.503 1.00 0.00 H new ATOM 1284 N SER A 83 13.553 6.688 8.421 1.00 0.00 N ATOM 1285 CA SER A 83 13.875 7.849 9.286 1.00 0.00 C ATOM 1286 C SER A 83 12.597 8.348 9.982 1.00 0.00 C ATOM 1287 O SER A 83 11.676 7.591 10.219 1.00 0.00 O ATOM 1288 CB SER A 83 14.529 8.961 8.453 1.00 0.00 C ATOM 1289 OG SER A 83 15.389 8.446 7.450 1.00 0.00 O ATOM 0 H SER A 83 13.367 6.928 7.447 1.00 0.00 H new ATOM 0 HA SER A 83 14.585 7.545 10.055 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.752 9.567 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.095 9.620 9.111 1.00 0.00 H new ATOM 0 HG SER A 83 14.853 8.040 6.737 1.00 0.00 H new ATOM 1295 N LYS A 84 12.495 9.652 10.243 1.00 0.00 N ATOM 1296 CA LYS A 84 11.291 10.251 10.832 1.00 0.00 C ATOM 1297 C LYS A 84 10.079 10.202 9.885 1.00 0.00 C ATOM 1298 O LYS A 84 9.147 9.450 10.106 1.00 0.00 O ATOM 1299 CB LYS A 84 11.664 11.676 11.254 1.00 0.00 C ATOM 1300 CG LYS A 84 11.330 11.955 12.711 1.00 0.00 C ATOM 1301 CD LYS A 84 9.847 12.277 12.905 1.00 0.00 C ATOM 1302 CE LYS A 84 9.547 12.548 14.386 1.00 0.00 C ATOM 1303 NZ LYS A 84 8.627 11.527 14.879 1.00 0.00 N ATOM 0 H LYS A 84 13.240 10.322 10.054 1.00 0.00 H new ATOM 0 HA LYS A 84 10.968 9.677 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.730 11.833 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.137 12.389 10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.596 11.089 13.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.933 12.790 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.576 13.147 12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.238 11.445 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.470 12.535 14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.109 13.539 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.418 11.703 15.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.744 11.561 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.062 10.588 14.776 1.00 0.00 H new ATOM 1317 N ASP A 85 10.226 10.871 8.737 1.00 0.00 N ATOM 1318 CA ASP A 85 9.215 10.821 7.651 1.00 0.00 C ATOM 1319 C ASP A 85 9.603 9.859 6.510 1.00 0.00 C ATOM 1320 O ASP A 85 9.085 9.930 5.397 1.00 0.00 O ATOM 1321 CB ASP A 85 8.974 12.209 7.069 1.00 0.00 C ATOM 1322 CG ASP A 85 7.988 13.001 7.919 1.00 0.00 C ATOM 1323 OD1 ASP A 85 6.801 12.643 7.898 1.00 0.00 O ATOM 1324 OD2 ASP A 85 8.460 13.967 8.556 1.00 0.00 O ATOM 0 H ASP A 85 11.033 11.457 8.526 1.00 0.00 H new ATOM 0 HA ASP A 85 8.302 10.443 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.919 12.749 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.591 12.118 6.053 1.00 0.00 H new ATOM 1329 N GLY A 86 10.633 9.059 6.781 1.00 0.00 N ATOM 1330 CA GLY A 86 11.212 8.127 5.805 1.00 0.00 C ATOM 1331 C GLY A 86 11.692 8.866 4.550 1.00 0.00 C ATOM 1332 O GLY A 86 11.160 8.686 3.458 1.00 0.00 O ATOM 0 H GLY A 86 11.095 9.037 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.048 7.594 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.469 7.379 5.528 1.00 0.00 H new ATOM 1336 N ASN A 87 12.553 9.849 4.775 1.00 0.00 N ATOM 1337 CA ASN A 87 13.063 10.731 3.707 1.00 0.00 C ATOM 1338 C ASN A 87 14.383 11.390 4.142 1.00 0.00 C ATOM 1339 O ASN A 87 14.443 12.493 4.693 1.00 0.00 O ATOM 1340 CB ASN A 87 12.003 11.785 3.335 1.00 0.00 C ATOM 1341 CG ASN A 87 11.668 12.747 4.478 1.00 0.00 C ATOM 1342 OD1 ASN A 87 11.754 12.444 5.666 1.00 0.00 O ATOM 1343 ND2 ASN A 87 11.412 13.989 4.124 1.00 0.00 N ATOM 0 H ASN A 87 12.924 10.066 5.700 1.00 0.00 H new ATOM 0 HA ASN A 87 13.267 10.133 2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.359 12.360 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.092 11.276 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.284 14.707 4.837 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.342 14.234 3.136 1.00 0.00 H new ATOM 1350 N GLY A 88 15.431 10.589 4.037 1.00 0.00 N ATOM 1351 CA GLY A 88 16.786 11.018 4.402 1.00 0.00 C ATOM 1352 C GLY A 88 17.558 11.453 3.153 1.00 0.00 C ATOM 1353 O GLY A 88 17.033 11.404 2.045 1.00 0.00 O ATOM 0 H GLY A 88 15.375 9.628 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.735 11.843 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.312 10.202 4.898 1.00 0.00 H new ATOM 1357 N LYS A 89 18.875 11.525 3.358 1.00 0.00 N ATOM 1358 CA LYS A 89 19.831 11.779 2.264 1.00 0.00 C ATOM 1359 C LYS A 89 19.793 10.667 1.194 1.00 0.00 C ATOM 1360 O LYS A 89 19.903 10.925 0.008 1.00 0.00 O ATOM 1361 CB LYS A 89 21.254 11.978 2.799 1.00 0.00 C ATOM 1362 CG LYS A 89 21.864 10.846 3.632 1.00 0.00 C ATOM 1363 CD LYS A 89 21.481 10.889 5.112 1.00 0.00 C ATOM 1364 CE LYS A 89 22.711 10.532 5.934 1.00 0.00 C ATOM 1365 NZ LYS A 89 22.326 9.700 7.082 1.00 0.00 N ATOM 0 H LYS A 89 19.311 11.411 4.273 1.00 0.00 H new ATOM 0 HA LYS A 89 19.521 12.706 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.910 12.160 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.261 12.883 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.550 9.890 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.950 10.890 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.119 11.881 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.672 10.188 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.431 9.998 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 89 23.202 11.441 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.172 9.461 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.655 10.223 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.877 8.826 6.742 1.00 0.00 H new ATOM 1379 N THR A 90 19.583 9.447 1.688 1.00 0.00 N ATOM 1380 CA THR A 90 19.479 8.231 0.857 1.00 0.00 C ATOM 1381 C THR A 90 18.661 7.124 1.554 1.00 0.00 C ATOM 1382 O THR A 90 18.878 5.934 1.336 1.00 0.00 O ATOM 1383 CB THR A 90 20.885 7.739 0.475 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.764 6.709 -0.500 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.738 7.285 1.677 1.00 0.00 C ATOM 0 H THR A 90 19.478 9.265 2.686 1.00 0.00 H new ATOM 0 HA THR A 90 18.938 8.485 -0.055 1.00 0.00 H new ATOM 0 HB THR A 90 21.427 8.588 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.074 6.072 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.715 6.953 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.866 8.118 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.237 6.463 2.188 1.00 0.00 H new ATOM 1393 N ASP A 91 17.780 7.539 2.477 1.00 0.00 N ATOM 1394 CA ASP A 91 16.921 6.589 3.238 1.00 0.00 C ATOM 1395 C ASP A 91 16.429 5.489 2.297 1.00 0.00 C ATOM 1396 O ASP A 91 15.912 5.783 1.228 1.00 0.00 O ATOM 1397 CB ASP A 91 15.712 7.333 3.838 1.00 0.00 C ATOM 1398 CG ASP A 91 14.749 6.445 4.640 1.00 0.00 C ATOM 1399 OD1 ASP A 91 14.679 5.239 4.352 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.954 7.027 5.405 1.00 0.00 O ATOM 0 H ASP A 91 17.636 8.519 2.721 1.00 0.00 H new ATOM 0 HA ASP A 91 17.503 6.149 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.077 8.129 4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.158 7.810 3.030 1.00 0.00 H new ATOM 1405 N HIS A 92 16.732 4.245 2.631 1.00 0.00 N ATOM 1406 CA HIS A 92 16.293 3.113 1.793 1.00 0.00 C ATOM 1407 C HIS A 92 15.246 2.277 2.544 1.00 0.00 C ATOM 1408 O HIS A 92 15.448 1.136 2.953 1.00 0.00 O ATOM 1409 CB HIS A 92 17.522 2.330 1.318 1.00 0.00 C ATOM 1410 CG HIS A 92 18.282 1.626 2.444 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.194 0.320 2.714 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.107 2.166 3.334 1.00 0.00 C ATOM 1413 CE1 HIS A 92 18.960 0.063 3.761 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.512 1.196 4.145 1.00 0.00 N ATOM 0 H HIS A 92 17.269 3.984 3.458 1.00 0.00 H new ATOM 0 HA HIS A 92 15.789 3.460 0.891 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.206 1.587 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.200 3.013 0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.396 3.205 3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.107 -0.904 4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.146 1.309 4.936 1.00 0.00 H new ATOM 1423 N TYR A 93 14.101 2.903 2.737 1.00 0.00 N ATOM 1424 CA TYR A 93 12.980 2.279 3.453 1.00 0.00 C ATOM 1425 C TYR A 93 12.003 1.668 2.459 1.00 0.00 C ATOM 1426 O TYR A 93 11.683 2.277 1.427 1.00 0.00 O ATOM 1427 CB TYR A 93 12.271 3.295 4.369 1.00 0.00 C ATOM 1428 CG TYR A 93 11.437 4.346 3.627 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.070 5.371 2.908 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.044 4.166 3.604 1.00 0.00 C ATOM 1431 CE1 TYR A 93 11.288 6.222 2.118 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.268 5.041 2.831 1.00 0.00 C ATOM 1433 CZ TYR A 93 9.901 6.050 2.093 1.00 0.00 C ATOM 1434 OH TYR A 93 9.177 6.854 1.287 1.00 0.00 O ATOM 0 H TYR A 93 13.912 3.850 2.409 1.00 0.00 H new ATOM 0 HA TYR A 93 13.374 1.485 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.622 2.754 5.057 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.021 3.805 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.141 5.501 2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.581 3.371 4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.752 7.003 1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.193 4.938 2.805 1.00 0.00 H new ATOM 0 HH TYR A 93 8.375 6.378 0.985 1.00 0.00 H new ATOM 1444 N LEU A 94 11.543 0.477 2.808 1.00 0.00 N ATOM 1445 CA LEU A 94 10.529 -0.208 2.003 1.00 0.00 C ATOM 1446 C LEU A 94 9.158 0.429 2.231 1.00 0.00 C ATOM 1447 O LEU A 94 8.602 0.356 3.318 1.00 0.00 O ATOM 1448 CB LEU A 94 10.450 -1.717 2.306 1.00 0.00 C ATOM 1449 CG LEU A 94 11.131 -2.560 1.212 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.812 -4.031 1.440 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.584 -2.243 -0.168 1.00 0.00 C ATOM 0 H LEU A 94 11.849 -0.036 3.635 1.00 0.00 H new ATOM 0 HA LEU A 94 10.827 -0.098 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.923 -1.919 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.405 -2.015 2.396 1.00 0.00 H new ATOM 0 HG LEU A 94 12.197 -2.339 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.292 -4.631 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.182 -4.336 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.733 -4.180 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.091 -2.859 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.514 -2.452 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.753 -1.190 -0.393 1.00 0.00 H new ATOM 1463 N LEU A 95 8.734 1.228 1.254 1.00 0.00 N ATOM 1464 CA LEU A 95 7.407 1.832 1.352 1.00 0.00 C ATOM 1465 C LEU A 95 6.350 0.905 0.753 1.00 0.00 C ATOM 1466 O LEU A 95 6.606 0.156 -0.194 1.00 0.00 O ATOM 1467 CB LEU A 95 7.402 3.260 0.782 1.00 0.00 C ATOM 1468 CG LEU A 95 7.372 3.378 -0.739 1.00 0.00 C ATOM 1469 CD1 LEU A 95 5.928 3.166 -1.164 1.00 0.00 C ATOM 1470 CD2 LEU A 95 7.796 4.780 -1.174 1.00 0.00 C ATOM 0 H LEU A 95 9.265 1.466 0.416 1.00 0.00 H new ATOM 0 HA LEU A 95 7.137 1.947 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.536 3.786 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.288 3.778 1.148 1.00 0.00 H new ATOM 0 HG LEU A 95 8.049 2.651 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.853 3.241 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.596 2.178 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.298 3.927 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.769 4.847 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.113 5.515 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.809 4.979 -0.823 1.00 0.00 H new ATOM 1482 N GLU A 96 5.134 1.090 1.247 1.00 0.00 N ATOM 1483 CA GLU A 96 3.950 0.402 0.735 1.00 0.00 C ATOM 1484 C GLU A 96 2.893 1.394 0.253 1.00 0.00 C ATOM 1485 O GLU A 96 2.461 2.289 0.966 1.00 0.00 O ATOM 1486 CB GLU A 96 3.410 -0.513 1.839 1.00 0.00 C ATOM 1487 CG GLU A 96 2.041 -1.102 1.509 1.00 0.00 C ATOM 1488 CD GLU A 96 1.789 -2.444 2.182 1.00 0.00 C ATOM 1489 OE1 GLU A 96 1.490 -2.433 3.381 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.896 -3.455 1.456 1.00 0.00 O ATOM 0 H GLU A 96 4.936 1.726 2.020 1.00 0.00 H new ATOM 0 HA GLU A 96 4.220 -0.199 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.117 -1.325 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.342 0.051 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.266 -0.398 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.955 -1.222 0.429 1.00 0.00 H new ATOM 1497 N PHE A 97 2.410 1.093 -0.948 1.00 0.00 N ATOM 1498 CA PHE A 97 1.345 1.885 -1.573 1.00 0.00 C ATOM 1499 C PHE A 97 0.124 1.018 -1.916 1.00 0.00 C ATOM 1500 O PHE A 97 0.311 -0.085 -2.436 1.00 0.00 O ATOM 1501 CB PHE A 97 1.928 2.562 -2.818 1.00 0.00 C ATOM 1502 CG PHE A 97 0.952 3.534 -3.474 1.00 0.00 C ATOM 1503 CD1 PHE A 97 0.788 4.828 -2.923 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.188 3.107 -4.583 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -0.163 5.702 -3.476 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.763 3.991 -5.146 1.00 0.00 C ATOM 1507 CZ PHE A 97 -0.933 5.278 -4.593 1.00 0.00 C ATOM 0 H PHE A 97 2.736 0.308 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 97 0.988 2.643 -0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.837 3.097 -2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.214 1.798 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.390 5.141 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.328 2.119 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.308 6.687 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.356 3.682 -5.994 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.659 5.951 -5.025 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.104 1.527 -1.676 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.346 0.816 -2.018 1.00 0.00 C ATOM 1519 C PRO A 98 -2.604 0.789 -3.529 1.00 0.00 C ATOM 1520 O PRO A 98 -3.091 1.737 -4.128 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.441 1.514 -1.223 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.920 2.944 -1.102 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.412 2.774 -0.953 1.00 0.00 C ATOM 0 HA PRO A 98 -2.296 -0.240 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.400 1.476 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.586 1.053 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.170 3.536 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.351 3.455 -0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.874 3.621 -1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.123 2.706 0.096 1.00 0.00 H new ATOM 1531 N THR A 99 -2.049 -0.252 -4.132 1.00 0.00 N ATOM 1532 CA THR A 99 -2.171 -0.457 -5.591 1.00 0.00 C ATOM 1533 C THR A 99 -3.517 -1.100 -5.915 1.00 0.00 C ATOM 1534 O THR A 99 -3.868 -2.107 -5.321 1.00 0.00 O ATOM 1535 CB THR A 99 -0.997 -1.273 -6.175 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.101 -1.207 -7.600 1.00 0.00 O ATOM 1537 CG2 THR A 99 -0.914 -2.736 -5.734 1.00 0.00 C ATOM 0 H THR A 99 -1.511 -0.971 -3.648 1.00 0.00 H new ATOM 0 HA THR A 99 -2.124 0.521 -6.069 1.00 0.00 H new ATOM 0 HB THR A 99 -0.082 -0.825 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.367 -1.715 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.053 -3.210 -6.205 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.807 -2.784 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.823 -3.258 -6.032 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.349 -0.334 -6.621 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.697 -0.752 -7.025 1.00 0.00 C ATOM 1547 C PHE A 100 -5.680 -1.640 -8.289 1.00 0.00 C ATOM 1548 O PHE A 100 -4.813 -1.434 -9.136 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.570 0.491 -7.217 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.985 1.099 -5.866 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.999 1.557 -4.974 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.352 1.210 -5.541 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.364 2.118 -3.734 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.739 1.819 -4.334 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.742 2.269 -3.441 1.00 0.00 C ATOM 0 H PHE A 100 -4.105 0.606 -6.933 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.122 -1.370 -6.234 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.025 1.234 -7.800 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.460 0.228 -7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.955 1.478 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.101 0.828 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.611 2.426 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.785 1.941 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.036 2.739 -2.514 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.658 -2.548 -8.448 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.714 -3.451 -9.616 1.00 0.00 C ATOM 1567 C PRO A 101 -7.217 -2.751 -10.870 1.00 0.00 C ATOM 1568 O PRO A 101 -6.571 -2.848 -11.909 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.615 -4.614 -9.192 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.529 -4.031 -8.119 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.766 -2.848 -7.514 1.00 0.00 C ATOM 0 HA PRO A 101 -5.720 -3.803 -9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.190 -4.996 -10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.029 -5.446 -8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.477 -3.706 -8.548 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.762 -4.776 -7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.419 -1.984 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.384 -3.097 -6.524 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.255 -1.918 -10.699 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.832 -1.072 -11.756 1.00 0.00 C ATOM 1581 C ASP A 102 -7.721 -0.325 -12.529 1.00 0.00 C ATOM 1582 O ASP A 102 -7.848 -0.054 -13.711 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.774 -0.033 -11.150 1.00 0.00 C ATOM 1584 CG ASP A 102 -10.670 0.634 -12.206 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -10.160 1.541 -12.902 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.881 0.331 -12.167 1.00 0.00 O ATOM 0 H ASP A 102 -8.728 -1.811 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.379 -1.724 -12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.400 -0.510 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.188 0.731 -10.640 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.680 -0.011 -11.770 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.491 0.651 -12.297 1.00 0.00 C ATOM 1593 C GLY A 103 -5.534 2.161 -12.175 1.00 0.00 C ATOM 1594 O GLY A 103 -4.713 2.887 -12.742 1.00 0.00 O ATOM 0 H GLY A 103 -6.635 -0.208 -10.770 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.613 0.277 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.371 0.383 -13.347 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.476 2.586 -11.357 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.649 3.994 -11.028 1.00 0.00 C ATOM 1600 C HIS A 104 -5.738 4.315 -9.840 1.00 0.00 C ATOM 1601 O HIS A 104 -5.625 3.556 -8.874 1.00 0.00 O ATOM 1602 CB HIS A 104 -8.128 4.339 -10.767 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.729 3.787 -9.471 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.653 2.841 -9.366 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.482 4.243 -8.247 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.961 2.700 -8.082 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -9.220 3.552 -7.388 1.00 0.00 N ATOM 0 H HIS A 104 -7.146 1.968 -10.899 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.360 4.620 -11.872 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -8.231 5.424 -10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.720 3.969 -11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.798 5.040 -7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.687 2.012 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.218 3.658 -6.373 1.00 0.00 H new ATOM 1616 N ASP A 105 -4.989 5.385 -10.037 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.089 5.899 -8.994 1.00 0.00 C ATOM 1618 C ASP A 105 -4.949 6.577 -7.940 1.00 0.00 C ATOM 1619 O ASP A 105 -5.283 7.761 -8.059 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.095 6.872 -9.640 1.00 0.00 C ATOM 1621 CG ASP A 105 -1.804 7.012 -8.820 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -1.270 5.947 -8.439 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -1.397 8.171 -8.590 1.00 0.00 O ATOM 0 H ASP A 105 -4.979 5.921 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.513 5.105 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.850 6.525 -10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.564 7.850 -9.746 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.477 5.752 -7.030 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.285 6.208 -5.882 1.00 0.00 C ATOM 1630 C TYR A 106 -5.763 7.558 -5.409 1.00 0.00 C ATOM 1631 O TYR A 106 -4.553 7.727 -5.301 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.075 5.193 -4.761 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.436 5.627 -3.326 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.630 6.321 -3.040 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.441 5.414 -2.347 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.823 6.853 -1.752 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.641 5.914 -1.052 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.817 6.628 -0.786 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.980 7.140 0.450 1.00 0.00 O ATOM 0 H TYR A 106 -5.358 4.740 -7.065 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.336 6.297 -6.155 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.659 4.304 -5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.026 4.897 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.387 6.443 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.539 4.874 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.712 7.416 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.906 5.752 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.863 8.112 0.419 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.712 8.457 -5.141 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.436 9.790 -4.593 1.00 0.00 C ATOM 1651 C LYS A 107 -5.802 9.666 -3.189 1.00 0.00 C ATOM 1652 O LYS A 107 -6.388 9.948 -2.147 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.711 10.630 -4.633 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.874 9.986 -3.856 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.218 10.149 -4.558 1.00 0.00 C ATOM 1656 CE LYS A 107 -10.828 8.759 -4.807 1.00 0.00 C ATOM 1657 NZ LYS A 107 -10.437 8.238 -6.127 1.00 0.00 N ATOM 0 H LYS A 107 -7.704 8.280 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.702 10.316 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.504 11.616 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.011 10.778 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.668 8.925 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.932 10.432 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.891 10.751 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.087 10.677 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.500 8.070 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.915 8.818 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.592 7.210 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.011 8.694 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.431 8.441 -6.296 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.532 9.309 -3.222 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.700 9.147 -2.028 1.00 0.00 C ATOM 1673 C PHE A 108 -3.263 10.517 -1.454 1.00 0.00 C ATOM 1674 O PHE A 108 -2.609 10.618 -0.419 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.502 8.244 -2.331 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.528 8.869 -3.334 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.612 9.835 -2.865 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.642 8.572 -4.714 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.164 10.548 -3.792 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.815 9.246 -5.639 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.073 10.235 -5.168 1.00 0.00 C ATOM 0 H PHE A 108 -4.034 9.118 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.296 8.660 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.972 8.027 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.860 7.292 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.510 10.023 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.355 7.837 -5.056 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.827 11.332 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.862 9.008 -6.691 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.697 10.765 -5.873 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.412 11.515 -2.308 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.129 12.917 -1.956 1.00 0.00 C ATOM 1693 C ASP A 109 -4.335 13.606 -1.300 1.00 0.00 C ATOM 1694 O ASP A 109 -4.189 14.684 -0.741 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.644 13.708 -3.186 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.611 13.631 -4.373 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.714 14.198 -4.252 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.311 12.818 -5.282 1.00 0.00 O ATOM 0 H ASP A 109 -3.732 11.388 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.327 12.905 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.504 14.752 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.670 13.327 -3.494 1.00 0.00 H new ATOM 1703 N SER A 110 -5.484 12.929 -1.320 1.00 0.00 N ATOM 1704 CA SER A 110 -6.735 13.459 -0.746 1.00 0.00 C ATOM 1705 C SER A 110 -6.826 13.095 0.733 1.00 0.00 C ATOM 1706 O SER A 110 -7.049 11.942 1.081 1.00 0.00 O ATOM 1707 CB SER A 110 -7.940 12.869 -1.476 1.00 0.00 C ATOM 1708 OG SER A 110 -8.852 13.929 -1.773 1.00 0.00 O ATOM 0 H SER A 110 -5.580 12.001 -1.732 1.00 0.00 H new ATOM 0 HA SER A 110 -6.735 14.543 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.622 12.374 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.425 12.114 -0.858 1.00 0.00 H new ATOM 0 HG SER A 110 -9.632 13.567 -2.244 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.394 14.050 1.546 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.391 13.890 3.011 1.00 0.00 C ATOM 1716 C LYS A 111 -7.792 13.629 3.557 1.00 0.00 C ATOM 1717 O LYS A 111 -8.115 12.531 3.991 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.705 15.085 3.698 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.374 14.743 5.156 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.828 15.955 5.907 1.00 0.00 C ATOM 1721 CE LYS A 111 -4.908 15.715 7.417 1.00 0.00 C ATOM 1722 NZ LYS A 111 -6.030 16.500 7.981 1.00 0.00 N ATOM 0 H LYS A 111 -6.038 14.950 1.223 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.802 13.004 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.792 15.346 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.357 15.958 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.270 14.377 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.641 13.936 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.794 16.139 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.398 16.845 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.053 14.654 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.971 16.005 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.086 16.338 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.872 17.512 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.921 16.202 7.535 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.595 14.673 3.455 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.001 14.616 3.868 1.00 0.00 C ATOM 1738 C LYS A 112 -10.931 15.175 2.777 1.00 0.00 C ATOM 1739 O LYS A 112 -10.698 16.292 2.285 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.180 15.234 5.260 1.00 0.00 C ATOM 1741 CG LYS A 112 -9.743 16.693 5.335 1.00 0.00 C ATOM 1742 CD LYS A 112 -10.968 17.594 5.406 1.00 0.00 C ATOM 1743 CE LYS A 112 -10.973 18.269 6.784 1.00 0.00 C ATOM 1744 NZ LYS A 112 -12.094 19.217 6.847 1.00 0.00 N ATOM 0 H LYS A 112 -8.303 15.579 3.089 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.308 13.576 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.228 15.161 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.608 14.653 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.114 16.849 6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.143 16.948 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.939 18.342 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.879 17.013 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.069 17.520 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.030 18.789 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.105 19.680 7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.982 19.936 6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -12.989 18.707 6.703 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.876 14.346 2.319 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.046 12.947 2.768 1.00 0.00 C ATOM 1760 C PRO A 113 -11.005 12.030 2.129 1.00 0.00 C ATOM 1761 O PRO A 113 -10.106 12.480 1.424 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.498 12.611 2.385 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.781 13.471 1.167 1.00 0.00 C ATOM 1764 CD PRO A 113 -12.910 14.725 1.331 1.00 0.00 C ATOM 0 HA PRO A 113 -11.884 12.807 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.613 11.551 2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.186 12.839 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.534 12.940 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.837 13.733 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.461 15.020 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.500 15.572 1.682 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.118 10.755 2.465 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.153 9.722 2.032 1.00 0.00 C ATOM 1774 C LYS A 114 -10.843 8.359 2.122 1.00 0.00 C ATOM 1775 O LYS A 114 -11.211 7.891 3.196 1.00 0.00 O ATOM 1776 CB LYS A 114 -8.923 9.798 2.937 1.00 0.00 C ATOM 1777 CG LYS A 114 -7.937 8.664 2.709 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.644 7.897 3.986 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.761 6.680 3.715 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.538 5.443 3.855 1.00 0.00 N ATOM 0 H LYS A 114 -11.876 10.394 3.045 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.827 9.877 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.417 10.749 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.245 9.786 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.338 7.981 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.007 9.068 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.151 8.554 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.580 7.575 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.343 6.743 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.921 6.670 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.913 4.675 4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.295 5.586 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.958 5.191 2.937 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.127 7.824 0.936 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.694 6.480 0.824 1.00 0.00 C ATOM 1796 C GLU A 115 -10.680 5.440 1.344 1.00 0.00 C ATOM 1797 O GLU A 115 -9.467 5.598 1.222 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.088 6.186 -0.638 1.00 0.00 C ATOM 1799 CG GLU A 115 -12.782 4.819 -0.771 1.00 0.00 C ATOM 1800 CD GLU A 115 -13.142 4.480 -2.206 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -12.269 3.905 -2.898 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -14.294 4.808 -2.577 1.00 0.00 O ATOM 0 H GLU A 115 -10.975 8.296 0.045 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.595 6.418 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.753 6.970 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.198 6.206 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.127 4.044 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.687 4.815 -0.163 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.248 4.365 1.867 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.482 3.210 2.347 1.00 0.00 C ATOM 1811 C ASN A 116 -9.577 2.664 1.229 1.00 0.00 C ATOM 1812 O ASN A 116 -9.972 2.694 0.057 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.442 2.116 2.833 1.00 0.00 C ATOM 1814 CG ASN A 116 -10.870 1.423 4.066 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.229 2.017 4.924 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.092 0.135 4.184 1.00 0.00 N ATOM 0 H ASN A 116 -12.257 4.262 1.974 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.851 3.526 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.412 2.552 3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.605 1.387 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.731 -0.373 4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.626 -0.358 3.468 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.344 2.257 1.569 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.403 1.722 0.580 1.00 0.00 C ATOM 1825 C PRO A 117 -7.838 0.321 0.108 1.00 0.00 C ATOM 1826 O PRO A 117 -8.964 -0.119 0.347 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.058 1.755 1.318 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.390 1.620 2.796 1.00 0.00 C ATOM 1829 CD PRO A 117 -7.752 2.305 2.918 1.00 0.00 C ATOM 0 HA PRO A 117 -7.351 2.293 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.411 0.943 0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.527 2.686 1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.437 0.575 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.640 2.103 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.385 1.792 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.644 3.334 3.262 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.893 -0.361 -0.529 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.082 -1.708 -1.079 1.00 0.00 C ATOM 1839 C GLY A 118 -6.391 -2.781 -0.220 1.00 0.00 C ATOM 1840 O GLY A 118 -5.596 -2.423 0.659 1.00 0.00 O ATOM 0 H GLY A 118 -5.955 0.009 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.148 -1.927 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.686 -1.745 -2.094 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.699 -4.067 -0.468 1.00 0.00 N ATOM 1845 CA PRO A 119 -6.044 -5.181 0.239 1.00 0.00 C ATOM 1846 C PRO A 119 -4.620 -5.384 -0.266 1.00 0.00 C ATOM 1847 O PRO A 119 -3.674 -5.360 0.519 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.959 -6.392 0.005 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.753 -6.069 -1.252 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.736 -4.547 -1.407 1.00 0.00 C ATOM 0 HA PRO A 119 -5.926 -4.998 1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.376 -7.304 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.621 -6.553 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.310 -6.551 -2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.775 -6.438 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.501 -4.259 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.709 -4.117 -1.170 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.474 -5.582 -1.581 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.160 -5.679 -2.215 1.00 0.00 C ATOM 1860 C ALA A 120 -2.490 -4.325 -2.420 1.00 0.00 C ATOM 1861 O ALA A 120 -3.120 -3.306 -2.699 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.165 -6.458 -3.518 1.00 0.00 C ATOM 0 H ALA A 120 -5.257 -5.678 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.566 -6.245 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.156 -6.487 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.511 -7.475 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.832 -5.972 -4.230 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.225 -4.379 -2.093 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.360 -3.195 -2.110 1.00 0.00 C ATOM 1870 C ARG A 121 0.987 -3.516 -2.735 1.00 0.00 C ATOM 1871 O ARG A 121 1.517 -4.619 -2.615 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.194 -2.662 -0.680 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.519 -2.345 0.005 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.406 -1.122 0.907 1.00 0.00 C ATOM 1875 NE ARG A 121 -2.384 -1.206 2.006 1.00 0.00 N ATOM 1876 CZ ARG A 121 -2.286 -2.027 3.050 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.325 -2.939 3.134 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -3.201 -2.009 4.012 1.00 0.00 N ATOM 0 H ARG A 121 -0.752 -5.236 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.826 -2.422 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.347 -3.399 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.419 -1.761 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.287 -2.172 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.839 -3.204 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.397 -1.053 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.578 -0.216 0.326 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.196 -0.590 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.636 -3.025 2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.275 -3.554 3.946 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.988 -1.362 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.117 -2.642 4.808 1.00 0.00 H new ATOM 1892 N VAL A 122 1.513 -2.488 -3.394 1.00 0.00 N ATOM 1893 CA VAL A 122 2.823 -2.574 -4.059 1.00 0.00 C ATOM 1894 C VAL A 122 3.925 -2.242 -3.049 1.00 0.00 C ATOM 1895 O VAL A 122 3.759 -1.376 -2.191 1.00 0.00 O ATOM 1896 CB VAL A 122 2.865 -1.673 -5.313 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.833 -0.174 -5.015 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.080 -2.019 -6.170 1.00 0.00 C ATOM 0 H VAL A 122 1.056 -1.581 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 122 2.993 -3.591 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 122 1.946 -1.883 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.866 0.384 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.916 0.071 -4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.694 0.094 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.099 -1.377 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.990 -1.865 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.020 -3.062 -6.482 1.00 0.00 H new ATOM 1908 N ILE A 123 5.027 -2.979 -3.197 1.00 0.00 N ATOM 1909 CA ILE A 123 6.207 -2.810 -2.328 1.00 0.00 C ATOM 1910 C ILE A 123 7.439 -2.605 -3.214 1.00 0.00 C ATOM 1911 O ILE A 123 7.622 -3.300 -4.219 1.00 0.00 O ATOM 1912 CB ILE A 123 6.422 -4.020 -1.410 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.131 -4.487 -0.728 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.499 -3.737 -0.360 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.481 -3.411 0.140 1.00 0.00 C ATOM 0 H ILE A 123 5.133 -3.701 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 123 6.044 -1.944 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 123 6.760 -4.831 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.421 -4.806 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.349 -5.359 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.628 -4.614 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.441 -3.508 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.196 -2.887 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.572 -3.808 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.175 -3.108 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.232 -2.548 -0.477 1.00 0.00 H new ATOM 1927 N TYR A 124 8.259 -1.660 -2.772 1.00 0.00 N ATOM 1928 CA TYR A 124 9.453 -1.221 -3.509 1.00 0.00 C ATOM 1929 C TYR A 124 10.288 -0.279 -2.652 1.00 0.00 C ATOM 1930 O TYR A 124 9.770 0.487 -1.832 1.00 0.00 O ATOM 1931 CB TYR A 124 9.045 -0.513 -4.813 1.00 0.00 C ATOM 1932 CG TYR A 124 8.099 0.659 -4.563 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.711 0.433 -4.416 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.655 1.953 -4.483 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.858 1.531 -4.190 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.803 3.052 -4.308 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.417 2.823 -4.175 1.00 0.00 C ATOM 1938 OH TYR A 124 5.599 3.898 -3.993 1.00 0.00 O ATOM 0 H TYR A 124 8.120 -1.170 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 124 10.049 -2.100 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.938 -0.154 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.564 -1.230 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.310 -0.568 -4.476 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.723 2.095 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.800 1.385 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.200 4.056 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 124 6.132 4.720 -4.006 1.00 0.00 H new ATOM 1948 N THR A 125 11.595 -0.489 -2.752 1.00 0.00 N ATOM 1949 CA THR A 125 12.600 0.300 -2.022 1.00 0.00 C ATOM 1950 C THR A 125 12.540 1.765 -2.493 1.00 0.00 C ATOM 1951 O THR A 125 11.643 2.156 -3.233 1.00 0.00 O ATOM 1952 CB THR A 125 14.004 -0.301 -2.199 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.449 -0.096 -3.544 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.057 -1.788 -1.868 1.00 0.00 C ATOM 0 H THR A 125 11.998 -1.215 -3.344 1.00 0.00 H new ATOM 0 HA THR A 125 12.378 0.272 -0.955 1.00 0.00 H new ATOM 0 HB THR A 125 14.661 0.210 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.169 -0.728 -3.750 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.073 -2.157 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.758 -1.941 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.378 -2.331 -2.525 1.00 0.00 H new ATOM 1962 N TYR A 126 13.570 2.544 -2.159 1.00 0.00 N ATOM 1963 CA TYR A 126 13.632 3.985 -2.482 1.00 0.00 C ATOM 1964 C TYR A 126 15.056 4.549 -2.261 1.00 0.00 C ATOM 1965 O TYR A 126 15.751 4.047 -1.380 1.00 0.00 O ATOM 1966 CB TYR A 126 12.543 4.708 -1.671 1.00 0.00 C ATOM 1967 CG TYR A 126 12.877 6.153 -1.291 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.637 7.243 -2.154 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.544 6.357 -0.084 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.070 8.541 -1.825 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.976 7.651 0.283 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.725 8.718 -0.605 1.00 0.00 C ATOM 1973 OH TYR A 126 14.086 9.968 -0.216 1.00 0.00 O ATOM 0 H TYR A 126 14.389 2.201 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 126 13.429 4.152 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.618 4.703 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.353 4.142 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.112 7.078 -3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.731 5.521 0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.901 9.372 -2.494 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.486 7.819 1.220 1.00 0.00 H new ATOM 0 HH TYR A 126 14.531 9.924 0.656 1.00 0.00 H new ATOM 1983 N PRO A 127 15.485 5.494 -3.129 1.00 0.00 N ATOM 1984 CA PRO A 127 14.783 5.945 -4.348 1.00 0.00 C ATOM 1985 C PRO A 127 14.854 4.971 -5.525 1.00 0.00 C ATOM 1986 O PRO A 127 14.071 5.098 -6.463 1.00 0.00 O ATOM 1987 CB PRO A 127 15.348 7.315 -4.676 1.00 0.00 C ATOM 1988 CG PRO A 127 16.743 7.298 -4.064 1.00 0.00 C ATOM 1989 CD PRO A 127 16.691 6.311 -2.892 1.00 0.00 C ATOM 0 HA PRO A 127 13.711 5.992 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.387 7.483 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.736 8.111 -4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.486 6.989 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.029 8.293 -3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.587 5.691 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.631 6.835 -1.938 1.00 0.00 H new ATOM 1997 N ASN A 128 15.588 3.881 -5.278 1.00 0.00 N ATOM 1998 CA ASN A 128 15.766 2.765 -6.210 1.00 0.00 C ATOM 1999 C ASN A 128 14.412 2.352 -6.796 1.00 0.00 C ATOM 2000 O ASN A 128 14.289 2.247 -8.009 1.00 0.00 O ATOM 2001 CB ASN A 128 16.344 1.547 -5.482 1.00 0.00 C ATOM 2002 CG ASN A 128 17.506 1.858 -4.544 1.00 0.00 C ATOM 2003 OD1 ASN A 128 18.528 2.412 -4.914 1.00 0.00 O ATOM 2004 ND2 ASN A 128 17.284 1.598 -3.281 1.00 0.00 N ATOM 0 H ASN A 128 16.088 3.748 -4.399 1.00 0.00 H new ATOM 0 HA ASN A 128 16.445 3.092 -6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.548 1.072 -4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 128 16.678 0.822 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 128 17.975 1.860 -2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.420 1.134 -3.000 1.00 0.00 H new ATOM 2011 N LYS A 129 13.423 2.207 -5.909 1.00 0.00 N ATOM 2012 CA LYS A 129 12.052 1.801 -6.280 1.00 0.00 C ATOM 2013 C LYS A 129 12.053 0.455 -6.999 1.00 0.00 C ATOM 2014 O LYS A 129 11.248 0.190 -7.892 1.00 0.00 O ATOM 2015 CB LYS A 129 11.361 2.857 -7.157 1.00 0.00 C ATOM 2016 CG LYS A 129 10.882 4.048 -6.345 1.00 0.00 C ATOM 2017 CD LYS A 129 10.164 5.022 -7.291 1.00 0.00 C ATOM 2018 CE LYS A 129 8.746 5.253 -6.807 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.338 6.642 -7.061 1.00 0.00 N ATOM 0 H LYS A 129 13.545 2.367 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 129 11.489 1.707 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.053 3.198 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.513 2.403 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.207 3.721 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.725 4.541 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.703 5.968 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.152 4.618 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.066 4.569 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.679 5.037 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.068 7.094 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.130 7.164 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.527 6.652 -7.712 1.00 0.00 H new ATOM 2033 N VAL A 130 13.008 -0.372 -6.572 1.00 0.00 N ATOM 2034 CA VAL A 130 13.229 -1.731 -7.107 1.00 0.00 C ATOM 2035 C VAL A 130 11.997 -2.558 -6.740 1.00 0.00 C ATOM 2036 O VAL A 130 11.922 -3.127 -5.649 1.00 0.00 O ATOM 2037 CB VAL A 130 14.523 -2.353 -6.549 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.726 -3.766 -7.101 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.767 -1.553 -6.945 1.00 0.00 C ATOM 0 H VAL A 130 13.664 -0.120 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 130 13.359 -1.703 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 130 14.407 -2.356 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.646 -4.187 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.882 -4.393 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.795 -3.725 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.654 -2.030 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.848 -1.521 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.685 -0.538 -6.557 1.00 0.00 H new ATOM 2049 N PHE A 131 11.016 -2.466 -7.640 1.00 0.00 N ATOM 2050 CA PHE A 131 9.731 -3.160 -7.559 1.00 0.00 C ATOM 2051 C PHE A 131 9.972 -4.610 -7.158 1.00 0.00 C ATOM 2052 O PHE A 131 10.625 -5.368 -7.881 1.00 0.00 O ATOM 2053 CB PHE A 131 9.019 -3.044 -8.912 1.00 0.00 C ATOM 2054 CG PHE A 131 7.808 -3.973 -9.030 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.564 -3.560 -8.508 1.00 0.00 C ATOM 2056 CD2 PHE A 131 7.995 -5.270 -9.572 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.489 -4.468 -8.525 1.00 0.00 C ATOM 2058 CE2 PHE A 131 6.919 -6.175 -9.575 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.680 -5.764 -9.046 1.00 0.00 C ATOM 0 H PHE A 131 11.098 -1.885 -8.475 1.00 0.00 H new ATOM 0 HA PHE A 131 9.089 -2.709 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.696 -2.014 -9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.726 -3.274 -9.710 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.439 -2.566 -8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.953 -5.559 -9.978 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.523 -4.174 -8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.041 -7.170 -9.977 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.854 -6.460 -9.039 1.00 0.00 H new ATOM 2069 N CYS A 132 9.566 -4.893 -5.939 1.00 0.00 N ATOM 2070 CA CYS A 132 9.775 -6.226 -5.392 1.00 0.00 C ATOM 2071 C CYS A 132 8.614 -7.140 -5.816 1.00 0.00 C ATOM 2072 O CYS A 132 8.784 -8.029 -6.647 1.00 0.00 O ATOM 2073 CB CYS A 132 9.906 -6.043 -3.885 1.00 0.00 C ATOM 2074 SG CYS A 132 11.265 -7.087 -3.302 1.00 0.00 S ATOM 0 H CYS A 132 9.098 -4.236 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 132 10.675 -6.714 -5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.100 -4.998 -3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 132 8.976 -6.317 -3.387 1.00 0.00 H new ATOM 2079 N GLY A 133 7.426 -6.702 -5.400 1.00 0.00 N ATOM 2080 CA GLY A 133 6.184 -7.365 -5.753 1.00 0.00 C ATOM 2081 C GLY A 133 4.938 -6.654 -5.263 1.00 0.00 C ATOM 2082 O GLY A 133 4.899 -5.421 -5.180 1.00 0.00 O ATOM 0 H GLY A 133 7.304 -5.879 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.132 -7.460 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.196 -8.376 -5.345 1.00 0.00 H new ATOM 2086 N ILE A 134 3.962 -7.483 -4.960 1.00 0.00 N ATOM 2087 CA ILE A 134 2.672 -7.021 -4.430 1.00 0.00 C ATOM 2088 C ILE A 134 2.253 -7.988 -3.325 1.00 0.00 C ATOM 2089 O ILE A 134 2.357 -9.201 -3.447 1.00 0.00 O ATOM 2090 CB ILE A 134 1.624 -6.874 -5.554 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.879 -5.580 -6.332 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.165 -6.816 -5.083 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.402 -5.861 -7.732 1.00 0.00 C ATOM 0 H ILE A 134 4.028 -8.495 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 134 2.760 -6.022 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 134 1.745 -7.774 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.955 -5.006 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.599 -4.965 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.492 -6.712 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.081 -7.733 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.030 -5.961 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.571 -4.919 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.340 -6.413 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.671 -6.453 -8.282 1.00 0.00 H new ATOM 2105 N ILE A 135 1.886 -7.401 -2.214 1.00 0.00 N ATOM 2106 CA ILE A 135 1.409 -8.176 -1.060 1.00 0.00 C ATOM 2107 C ILE A 135 -0.025 -7.772 -0.724 1.00 0.00 C ATOM 2108 O ILE A 135 -0.393 -6.605 -0.861 1.00 0.00 O ATOM 2109 CB ILE A 135 2.331 -7.961 0.138 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.413 -6.478 0.465 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.722 -8.526 -0.156 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.829 -6.305 1.911 1.00 0.00 C ATOM 0 H ILE A 135 1.902 -6.392 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 135 1.421 -9.237 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 135 1.924 -8.488 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.131 -5.988 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.447 -6.002 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.369 -8.366 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.645 -9.594 -0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.144 -8.021 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.889 -5.243 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.094 -6.781 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.804 -6.767 2.067 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.809 -8.750 -0.324 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.212 -8.524 0.060 1.00 0.00 C ATOM 2126 C ALA A 136 -2.587 -9.365 1.262 1.00 0.00 C ATOM 2127 O ALA A 136 -2.144 -10.498 1.408 1.00 0.00 O ATOM 2128 CB ALA A 136 -3.172 -8.920 -1.055 1.00 0.00 C ATOM 0 H ALA A 136 -0.508 -9.722 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.295 -7.459 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.198 -8.739 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.960 -8.327 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -3.046 -9.978 -1.285 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.508 -8.803 2.020 1.00 0.00 N ATOM 2135 CA HIS A 137 -4.021 -9.466 3.220 1.00 0.00 C ATOM 2136 C HIS A 137 -4.906 -10.635 2.804 1.00 0.00 C ATOM 2137 O HIS A 137 -5.971 -10.468 2.212 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.843 -8.483 4.053 1.00 0.00 C ATOM 2139 CG HIS A 137 -4.076 -7.211 4.420 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.500 -6.936 5.587 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.921 -6.149 3.627 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -3.014 -5.693 5.524 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -3.259 -5.230 4.295 1.00 0.00 N ATOM 0 H HIS A 137 -3.921 -7.889 1.833 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.183 -9.825 3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.741 -8.210 3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.171 -8.978 4.967 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.440 -7.564 6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -4.278 -6.060 2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.515 -5.161 6.320 1.00 0.00 H new ATOM 2152 N THR A 138 -4.485 -11.820 3.237 1.00 0.00 N ATOM 2153 CA THR A 138 -5.178 -13.083 2.936 1.00 0.00 C ATOM 2154 C THR A 138 -6.388 -13.337 3.841 1.00 0.00 C ATOM 2155 O THR A 138 -6.660 -14.450 4.273 1.00 0.00 O ATOM 2156 CB THR A 138 -4.186 -14.227 3.051 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.301 -13.981 4.147 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.491 -14.413 1.700 1.00 0.00 C ATOM 0 H THR A 138 -3.650 -11.939 3.810 1.00 0.00 H new ATOM 0 HA THR A 138 -5.568 -13.012 1.921 1.00 0.00 H new ATOM 0 HB THR A 138 -4.680 -15.172 3.277 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.661 -14.720 4.223 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.775 -15.232 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.234 -14.644 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.968 -13.496 1.431 1.00 0.00 H new ATOM 2166 N LYS A 139 -7.170 -12.269 3.996 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.353 -12.199 4.858 1.00 0.00 C ATOM 2168 C LYS A 139 -8.974 -10.798 4.754 1.00 0.00 C ATOM 2169 O LYS A 139 -8.687 -9.925 5.566 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.999 -12.584 6.312 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.168 -12.489 7.284 1.00 0.00 C ATOM 2172 CD LYS A 139 -8.860 -11.442 8.348 1.00 0.00 C ATOM 2173 CE LYS A 139 -9.974 -10.394 8.425 1.00 0.00 C ATOM 2174 NZ LYS A 139 -10.056 -9.914 9.808 1.00 0.00 N ATOM 0 H LYS A 139 -6.991 -11.393 3.505 1.00 0.00 H new ATOM 0 HA LYS A 139 -9.096 -12.922 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.614 -13.604 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.196 -11.936 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -10.079 -12.222 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.345 -13.457 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.744 -11.927 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -7.912 -10.954 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -9.765 -9.566 7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.925 -10.827 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -10.808 -9.200 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -10.271 -10.711 10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.147 -9.490 10.083 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.747 -10.589 3.697 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.473 -9.318 3.438 1.00 0.00 C ATOM 2190 C GLU A 140 -9.502 -8.161 3.177 1.00 0.00 C ATOM 2191 O GLU A 140 -9.094 -7.939 2.037 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.456 -9.048 4.587 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.913 -9.317 4.204 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.659 -7.976 4.219 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.534 -7.252 3.203 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.280 -7.694 5.260 1.00 0.00 O ATOM 0 H GLU A 140 -9.900 -11.295 2.977 1.00 0.00 H new ATOM 0 HA GLU A 140 -11.059 -9.410 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.189 -9.672 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.356 -8.011 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.970 -9.774 3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.369 -10.016 4.905 1.00 0.00 H new ATOM 2203 N ASN A 141 -9.048 -7.559 4.266 1.00 0.00 N ATOM 2204 CA ASN A 141 -8.052 -6.479 4.278 1.00 0.00 C ATOM 2205 C ASN A 141 -7.251 -6.439 5.606 1.00 0.00 C ATOM 2206 O ASN A 141 -6.731 -5.403 6.019 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.791 -5.166 4.053 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.856 -4.097 3.477 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -6.643 -4.186 3.440 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.465 -3.088 2.918 1.00 0.00 N ATOM 0 H ASN A 141 -9.369 -7.812 5.201 1.00 0.00 H new ATOM 0 HA ASN A 141 -7.322 -6.651 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.626 -5.328 3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -9.211 -4.816 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.924 -2.365 2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -9.482 -3.022 2.954 1.00 0.00 H new ATOM 2217 N GLN A 142 -7.202 -7.575 6.285 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.494 -7.742 7.563 1.00 0.00 C ATOM 2219 C GLN A 142 -5.809 -9.103 7.660 1.00 0.00 C ATOM 2220 O GLN A 142 -5.955 -9.967 6.791 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.454 -7.522 8.731 1.00 0.00 C ATOM 2222 CG GLN A 142 -7.535 -6.036 9.097 1.00 0.00 C ATOM 2223 CD GLN A 142 -8.679 -5.784 10.063 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -9.809 -5.527 9.680 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -8.416 -5.871 11.346 1.00 0.00 N ATOM 0 H GLN A 142 -7.659 -8.428 5.964 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.708 -6.988 7.612 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.445 -7.891 8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.120 -8.096 9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -6.595 -5.715 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -7.676 -5.441 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -7.469 -6.086 11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.158 -5.724 12.030 1.00 0.00 H new ATOM 2234 N GLY A 143 -4.970 -9.191 8.684 1.00 0.00 N ATOM 2235 CA GLY A 143 -4.157 -10.382 8.971 1.00 0.00 C ATOM 2236 C GLY A 143 -2.767 -10.229 8.349 1.00 0.00 C ATOM 2237 O GLY A 143 -2.282 -9.127 8.093 1.00 0.00 O ATOM 0 H GLY A 143 -4.828 -8.432 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.069 -10.521 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.647 -11.271 8.573 1.00 0.00 H new ATOM 2241 N GLU A 144 -2.173 -11.379 8.097 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.825 -11.456 7.496 1.00 0.00 C ATOM 2243 C GLU A 144 -0.872 -11.250 5.976 1.00 0.00 C ATOM 2244 O GLU A 144 -1.674 -11.859 5.262 1.00 0.00 O ATOM 2245 CB GLU A 144 -0.149 -12.782 7.860 1.00 0.00 C ATOM 2246 CG GLU A 144 -1.021 -14.004 7.544 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.245 -15.137 6.859 1.00 0.00 C ATOM 2248 OE1 GLU A 144 0.634 -14.824 6.025 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -0.593 -16.296 7.154 1.00 0.00 O ATOM 0 H GLU A 144 -2.593 -12.287 8.295 1.00 0.00 H new ATOM 0 HA GLU A 144 -0.226 -10.645 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 144 0.793 -12.864 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.094 -12.780 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -1.459 -14.379 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -1.847 -13.697 6.902 1.00 0.00 H new ATOM 2256 N LEU A 145 -0.058 -10.306 5.519 1.00 0.00 N ATOM 2257 CA LEU A 145 0.037 -10.000 4.082 1.00 0.00 C ATOM 2258 C LEU A 145 0.808 -11.120 3.380 1.00 0.00 C ATOM 2259 O LEU A 145 1.894 -11.502 3.804 1.00 0.00 O ATOM 2260 CB LEU A 145 0.703 -8.653 3.827 1.00 0.00 C ATOM 2261 CG LEU A 145 -0.170 -7.512 4.318 1.00 0.00 C ATOM 2262 CD1 LEU A 145 0.393 -6.922 5.617 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.294 -6.424 3.249 1.00 0.00 C ATOM 0 H LEU A 145 0.546 -9.737 6.113 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.973 -9.935 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.669 -8.620 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.896 -8.535 2.761 1.00 0.00 H new ATOM 0 HG LEU A 145 -1.165 -7.909 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -0.246 -6.106 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 145 0.426 -7.696 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.400 -6.544 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.924 -5.617 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.695 -6.032 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.742 -6.847 2.350 1.00 0.00 H new ATOM 2275 N LYS A 146 0.134 -11.770 2.440 1.00 0.00 N ATOM 2276 CA LYS A 146 0.780 -12.845 1.687 1.00 0.00 C ATOM 2277 C LYS A 146 1.261 -12.261 0.359 1.00 0.00 C ATOM 2278 O LYS A 146 0.504 -11.630 -0.366 1.00 0.00 O ATOM 2279 CB LYS A 146 -0.209 -13.981 1.428 1.00 0.00 C ATOM 2280 CG LYS A 146 0.435 -15.302 1.014 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.185 -15.824 -0.287 1.00 0.00 C ATOM 2282 CE LYS A 146 -0.350 -17.342 -0.218 1.00 0.00 C ATOM 2283 NZ LYS A 146 -0.628 -17.874 -1.557 1.00 0.00 N ATOM 0 H LYS A 146 -0.835 -11.581 2.183 1.00 0.00 H new ATOM 0 HA LYS A 146 1.618 -13.250 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.797 -14.146 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.903 -13.670 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.508 -15.163 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 146 0.305 -16.039 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -1.154 -15.352 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 146 0.448 -15.557 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.555 -17.797 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -1.163 -17.598 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.739 -18.907 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -1.504 -17.450 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 0.162 -17.643 -2.193 1.00 0.00 H new ATOM 2297 N LEU A 147 2.576 -12.347 0.216 1.00 0.00 N ATOM 2298 CA LEU A 147 3.290 -11.940 -1.015 1.00 0.00 C ATOM 2299 C LEU A 147 2.641 -12.636 -2.212 1.00 0.00 C ATOM 2300 O LEU A 147 2.740 -13.860 -2.346 1.00 0.00 O ATOM 2301 CB LEU A 147 4.779 -12.289 -0.883 1.00 0.00 C ATOM 2302 CG LEU A 147 5.539 -12.202 -2.206 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.779 -10.769 -2.668 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.852 -12.980 -2.099 1.00 0.00 C ATOM 0 H LEU A 147 3.193 -12.701 0.947 1.00 0.00 H new ATOM 0 HA LEU A 147 3.219 -10.863 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.241 -11.615 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.875 -13.298 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 147 4.911 -12.656 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.323 -10.778 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.822 -10.266 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.364 -10.238 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.391 -12.916 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.463 -12.555 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.638 -14.025 -1.873 1.00 0.00 H new ATOM 2316 N CYS A 148 1.809 -11.866 -2.905 1.00 0.00 N ATOM 2317 CA CYS A 148 1.124 -12.300 -4.133 1.00 0.00 C ATOM 2318 C CYS A 148 2.165 -12.936 -5.060 1.00 0.00 C ATOM 2319 O CYS A 148 3.377 -12.716 -4.949 1.00 0.00 O ATOM 2320 CB CYS A 148 0.458 -11.133 -4.867 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.561 -10.037 -3.826 1.00 0.00 S ATOM 0 H CYS A 148 1.584 -10.909 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 148 0.342 -13.007 -3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.234 -10.535 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.168 -11.536 -5.663 1.00 0.00 H new ATOM 2326 N SER A 149 1.651 -13.735 -5.968 1.00 0.00 N ATOM 2327 CA SER A 149 2.512 -14.507 -6.863 1.00 0.00 C ATOM 2328 C SER A 149 1.999 -14.339 -8.287 1.00 0.00 C ATOM 2329 O SER A 149 0.800 -14.398 -8.557 1.00 0.00 O ATOM 2330 CB SER A 149 2.494 -15.998 -6.497 1.00 0.00 C ATOM 2331 OG SER A 149 2.730 -16.143 -5.101 1.00 0.00 O ATOM 0 H SER A 149 0.651 -13.873 -6.113 1.00 0.00 H new ATOM 0 HA SER A 149 3.535 -14.144 -6.771 1.00 0.00 H new ATOM 0 HB2 SER A 149 1.533 -16.438 -6.762 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.256 -16.533 -7.064 1.00 0.00 H new ATOM 0 HG SER A 149 2.717 -17.094 -4.864 1.00 0.00 H new ATOM 2337 N HIS A 150 2.960 -14.081 -9.157 1.00 0.00 N ATOM 2338 CA HIS A 150 2.661 -13.920 -10.581 1.00 0.00 C ATOM 2339 C HIS A 150 3.060 -15.146 -11.423 1.00 0.00 C ATOM 2340 O HIS A 150 2.178 -15.658 -12.139 1.00 0.00 O ATOM 2341 CB HIS A 150 3.335 -12.643 -11.088 1.00 0.00 C ATOM 2342 CG HIS A 150 4.858 -12.709 -11.055 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.639 -13.067 -12.067 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.639 -12.260 -10.088 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.907 -12.829 -11.727 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.900 -12.322 -10.500 1.00 0.00 N ATOM 2347 OXT HIS A 150 4.231 -15.575 -11.297 1.00 0.00 O ATOM 0 H HIS A 150 3.945 -13.978 -8.913 1.00 0.00 H new ATOM 0 HA HIS A 150 1.580 -13.834 -10.694 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.009 -12.450 -12.110 1.00 0.00 H new ATOM 0 HB3 HIS A 150 3.002 -11.800 -10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 150 5.307 -11.903 -9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.778 -13.015 -12.337 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.720 -12.031 -9.967 1.00 0.00 H new