USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 746 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 23 GLN : amide:sc= -1.51! X(o=-0.72!,f=-0.45) USER MOD Set 1.2: A 57 HIS : no HD1:sc= 0.792 K(o=-0.72,f=-4.7!) USER MOD Set 2.1: A 35 SER OG : rot 43:sc= 1.18 USER MOD Set 2.2: A 56 ASN : amide:sc= 0.381! C(o=1.6!,f=-10!) USER MOD Set 3.1: A 33 HIS : no HE2:sc= 1.41 K(o=3.7,f=-6.6!) USER MOD Set 3.2: A 46 GLN : amide:sc= 2.34 K(o=3.7,f=-0.028) USER MOD Set 4.1: A 14 SER OG : rot 130:sc= 1.29 USER MOD Set 4.2: A 67 SER OG : rot 63:sc= 2.25 USER MOD Single : A 17 SER OG : rot -95:sc= 0.22 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 154:sc= 1.21 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 37 ASN : amide:sc= -0.0027 K(o=-0.0027,f=-9.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -171:sc= 0.00872 USER MOD Single : A 42 GLN : amide:sc= 0.443 K(o=0.44,f=-0.81) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 58:sc= 0.257 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00969 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.12) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 69 ASN : amide:sc= -0.0577 K(o=-0.058,f=-1.7!) USER MOD Single : A 77 SER OG : rot -95:sc= 1.22 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 160:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.4!) USER MOD Single : A 98 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00099) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -155:sc= 0 (180deg=-0.227) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 1:sc= 1.28 USER MOD Single : A 110 THR OG1 : rot 4:sc= 0.288 USER MOD Single : A 112 ASN : amide:sc= -1.14 K(o=-1.1,f=-11!) USER MOD Single : A 113 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.2) USER MOD Single : A 114 ASN : amide:sc= 1.4 K(o=1.4,f=-10!) USER MOD Single : A 115 ASN : amide:sc= 0.96 K(o=0.96,f=-16!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.247 USER MOD Single : A 123 LYS NZ :NH3+ -118:sc= 1.06 (180deg=-0.295) USER MOD Single : A 125 THR OG1 : rot -80:sc= 0.687 USER MOD Single : A 127 LYS NZ :NH3+ -179:sc= 1.08 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 14 4.118 1.602 0.578 1.00 0.00 N ATOM 17 CA SER A 14 4.546 2.973 0.832 1.00 0.00 C ATOM 18 C SER A 14 4.750 3.737 -0.470 1.00 0.00 C ATOM 19 O SER A 14 4.768 4.967 -0.482 1.00 0.00 O ATOM 20 CB SER A 14 5.830 2.978 1.639 1.00 0.00 C ATOM 21 OG SER A 14 6.886 2.423 0.905 1.00 0.00 O ATOM 0 HA SER A 14 3.760 3.471 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.079 4.000 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.687 2.414 2.561 1.00 0.00 H new ATOM 0 HG SER A 14 7.658 3.027 0.934 1.00 0.00 H new ATOM 27 N TRP A 15 4.905 2.999 -1.564 1.00 0.00 N ATOM 28 CA TRP A 15 5.044 3.606 -2.883 1.00 0.00 C ATOM 29 C TRP A 15 3.783 4.365 -3.276 1.00 0.00 C ATOM 30 O TRP A 15 3.807 5.203 -4.177 1.00 0.00 O ATOM 31 CB TRP A 15 5.347 2.535 -3.933 1.00 0.00 C ATOM 32 CG TRP A 15 4.289 1.479 -4.033 1.00 0.00 C ATOM 33 CD1 TRP A 15 4.313 0.244 -3.458 1.00 0.00 C ATOM 34 CD2 TRP A 15 3.037 1.560 -4.757 1.00 0.00 C ATOM 35 NE1 TRP A 15 3.169 -0.447 -3.773 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.376 0.344 -4.566 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.434 2.552 -5.539 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.137 0.086 -5.130 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.191 2.294 -6.104 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.559 1.093 -5.904 1.00 0.00 C ATOM 0 H TRP A 15 4.938 1.980 -1.564 1.00 0.00 H new ATOM 0 HA TRP A 15 5.873 4.312 -2.837 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.464 3.014 -4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.299 2.062 -3.694 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.116 -0.136 -2.843 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.945 -1.394 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.926 3.500 -5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.637 -0.859 -4.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.715 3.051 -6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.407 0.923 -6.356 1.00 0.00 H new ATOM 51 N VAL A 16 2.682 4.066 -2.594 1.00 0.00 N ATOM 52 CA VAL A 16 1.434 4.790 -2.800 1.00 0.00 C ATOM 53 C VAL A 16 1.557 6.240 -2.349 1.00 0.00 C ATOM 54 O VAL A 16 1.145 7.158 -3.058 1.00 0.00 O ATOM 55 CB VAL A 16 0.288 4.110 -2.027 1.00 0.00 C ATOM 56 CG1 VAL A 16 -0.970 4.965 -2.079 1.00 0.00 C ATOM 57 CG2 VAL A 16 0.024 2.727 -2.603 1.00 0.00 C ATOM 0 H VAL A 16 2.629 3.327 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 16 1.214 4.775 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 16 0.581 4.003 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.770 4.470 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.768 5.937 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.275 5.101 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.787 2.252 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.255 2.817 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.925 2.119 -2.518 1.00 0.00 H new ATOM 67 N SER A 17 2.126 6.439 -1.165 1.00 0.00 N ATOM 68 CA SER A 17 2.335 7.780 -0.632 1.00 0.00 C ATOM 69 C SER A 17 3.174 8.626 -1.581 1.00 0.00 C ATOM 70 O SER A 17 2.914 9.815 -1.764 1.00 0.00 O ATOM 71 CB SER A 17 3.012 7.703 0.723 1.00 0.00 C ATOM 72 OG SER A 17 2.164 7.123 1.675 1.00 0.00 O ATOM 0 H SER A 17 2.451 5.688 -0.556 1.00 0.00 H new ATOM 0 HA SER A 17 1.360 8.254 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.929 7.119 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.299 8.703 1.048 1.00 0.00 H new ATOM 0 HG SER A 17 1.688 7.828 2.162 1.00 0.00 H new ATOM 78 N CYS A 18 4.183 8.005 -2.184 1.00 0.00 N ATOM 79 CA CYS A 18 5.030 8.685 -3.156 1.00 0.00 C ATOM 80 C CYS A 18 4.201 9.292 -4.280 1.00 0.00 C ATOM 81 O CYS A 18 4.546 10.342 -4.822 1.00 0.00 O ATOM 82 CB CYS A 18 6.053 7.716 -3.750 1.00 0.00 C ATOM 83 SG CYS A 18 7.156 8.465 -4.972 1.00 0.00 S ATOM 0 H CYS A 18 4.434 7.031 -2.016 1.00 0.00 H new ATOM 0 HA CYS A 18 5.551 9.486 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.654 7.298 -2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.523 6.885 -4.216 1.00 0.00 H new ATOM 88 N LEU A 19 3.105 8.625 -4.627 1.00 0.00 N ATOM 89 CA LEU A 19 2.300 9.020 -5.776 1.00 0.00 C ATOM 90 C LEU A 19 1.061 9.793 -5.342 1.00 0.00 C ATOM 91 O LEU A 19 0.199 10.114 -6.160 1.00 0.00 O ATOM 92 CB LEU A 19 1.881 7.782 -6.580 1.00 0.00 C ATOM 93 CG LEU A 19 3.030 6.934 -7.142 1.00 0.00 C ATOM 94 CD1 LEU A 19 2.461 5.707 -7.841 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.859 7.775 -8.102 1.00 0.00 C ATOM 0 H LEU A 19 2.754 7.808 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 19 2.909 9.671 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.265 7.149 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.253 8.106 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 19 3.677 6.599 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.277 5.105 -8.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.888 5.115 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.810 6.022 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.675 7.173 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.228 8.120 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.268 8.635 -7.572 1.00 0.00 H new ATOM 107 N ASP A 20 0.978 10.088 -4.049 1.00 0.00 N ATOM 108 CA ASP A 20 -0.163 10.812 -3.500 1.00 0.00 C ATOM 109 C ASP A 20 0.100 12.312 -3.468 1.00 0.00 C ATOM 110 O ASP A 20 1.246 12.753 -3.546 1.00 0.00 O ATOM 111 CB ASP A 20 -0.486 10.313 -2.090 1.00 0.00 C ATOM 112 CG ASP A 20 -1.184 8.959 -2.085 1.00 0.00 C ATOM 113 OD1 ASP A 20 -1.769 8.611 -3.083 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.125 8.287 -1.084 1.00 0.00 O1- ATOM 0 H ASP A 20 1.688 9.837 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.018 10.626 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.437 10.242 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.119 11.044 -1.588 1.00 0.00 H new ATOM 119 N PRO A 21 -0.970 13.092 -3.351 1.00 0.00 N ATOM 120 CA PRO A 21 -0.851 14.538 -3.207 1.00 0.00 C ATOM 121 C PRO A 21 0.072 14.902 -2.051 1.00 0.00 C ATOM 122 O PRO A 21 0.036 14.273 -0.993 1.00 0.00 O ATOM 123 CB PRO A 21 -2.294 14.977 -2.938 1.00 0.00 C ATOM 124 CG PRO A 21 -3.124 13.929 -3.597 1.00 0.00 C ATOM 125 CD PRO A 21 -2.378 12.646 -3.343 1.00 0.00 C ATOM 0 HA PRO A 21 -0.415 15.025 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.500 15.034 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.494 15.964 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.129 13.895 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.232 14.121 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.656 12.196 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.573 11.903 -4.116 1.00 0.00 H new ATOM 133 N GLU A 22 0.898 15.922 -2.259 1.00 0.00 N ATOM 134 CA GLU A 22 1.902 16.308 -1.274 1.00 0.00 C ATOM 135 C GLU A 22 1.263 16.602 0.077 1.00 0.00 C ATOM 136 O GLU A 22 0.188 17.196 0.150 1.00 0.00 O ATOM 137 CB GLU A 22 2.681 17.533 -1.758 1.00 0.00 C ATOM 138 CG GLU A 22 3.648 17.252 -2.900 1.00 0.00 C ATOM 139 CD GLU A 22 2.978 17.239 -4.245 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.795 17.472 -4.300 1.00 0.00 O ATOM 141 OE2 GLU A 22 3.651 16.997 -5.219 1.00 0.00 O1- ATOM 0 H GLU A 22 0.892 16.497 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 22 2.590 15.471 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.972 18.296 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.239 17.948 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.433 18.008 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.131 16.290 -2.731 1.00 0.00 H new ATOM 148 N GLN A 23 1.933 16.182 1.146 1.00 0.00 N ATOM 149 CA GLN A 23 1.517 16.537 2.498 1.00 0.00 C ATOM 150 C GLN A 23 1.682 18.030 2.751 1.00 0.00 C ATOM 151 O GLN A 23 2.731 18.606 2.462 1.00 0.00 O ATOM 152 CB GLN A 23 2.318 15.740 3.531 1.00 0.00 C ATOM 153 CG GLN A 23 2.109 16.194 4.965 1.00 0.00 C ATOM 154 CD GLN A 23 0.699 15.929 5.457 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.206 14.800 5.393 1.00 0.00 O ATOM 156 NE2 GLN A 23 0.040 16.972 5.951 1.00 0.00 N ATOM 0 H GLN A 23 2.766 15.595 1.102 1.00 0.00 H new ATOM 0 HA GLN A 23 0.461 16.288 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.046 14.687 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.378 15.815 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.819 15.680 5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.323 17.260 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.487 17.888 5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.913 16.856 6.296 1.00 0.00 H new ATOM 165 N VAL A 24 0.640 18.652 3.292 1.00 0.00 N ATOM 166 CA VAL A 24 0.671 20.078 3.592 1.00 0.00 C ATOM 167 C VAL A 24 1.391 20.349 4.907 1.00 0.00 C ATOM 168 O VAL A 24 1.195 19.637 5.891 1.00 0.00 O ATOM 169 CB VAL A 24 -0.762 20.638 3.670 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.742 22.090 4.124 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.444 20.507 2.316 1.00 0.00 C ATOM 0 H VAL A 24 -0.237 18.190 3.532 1.00 0.00 H new ATOM 0 HA VAL A 24 1.215 20.574 2.788 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.327 20.062 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.762 22.470 4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.282 22.157 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.167 22.685 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.457 20.905 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.880 21.066 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.484 19.456 2.029 1.00 0.00 H new ATOM 181 N THR A 25 2.225 21.384 4.916 1.00 0.00 N ATOM 182 CA THR A 25 3.013 21.721 6.095 1.00 0.00 C ATOM 183 C THR A 25 2.129 22.256 7.214 1.00 0.00 C ATOM 184 O THR A 25 0.963 22.584 6.994 1.00 0.00 O ATOM 185 CB THR A 25 4.102 22.756 5.756 1.00 0.00 C ATOM 186 OG1 THR A 25 3.487 23.969 5.303 1.00 0.00 O ATOM 187 CG2 THR A 25 5.025 22.224 4.671 1.00 0.00 C ATOM 0 H THR A 25 2.372 22.004 4.119 1.00 0.00 H new ATOM 0 HA THR A 25 3.493 20.803 6.436 1.00 0.00 H new ATOM 0 HB THR A 25 4.689 22.951 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.181 24.627 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.788 22.969 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.504 21.308 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.446 22.013 3.772 1.00 0.00 H new ATOM 195 N CYS A 26 2.691 22.342 8.415 1.00 0.00 N ATOM 196 CA CYS A 26 1.927 22.743 9.591 1.00 0.00 C ATOM 197 C CYS A 26 2.771 23.591 10.533 1.00 0.00 C ATOM 198 O CYS A 26 3.940 23.291 10.775 1.00 0.00 O ATOM 199 CB CYS A 26 1.413 21.514 10.342 1.00 0.00 C ATOM 200 SG CYS A 26 0.126 21.879 11.560 1.00 0.00 S ATOM 0 H CYS A 26 3.673 22.139 8.600 1.00 0.00 H new ATOM 0 HA CYS A 26 1.081 23.338 9.245 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.022 20.797 9.620 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.251 21.033 10.847 1.00 0.00 H new ATOM 263 N GLY A 31 7.983 19.444 14.674 1.00 0.00 N ATOM 264 CA GLY A 31 8.444 18.194 14.080 1.00 0.00 C ATOM 265 C GLY A 31 8.443 18.274 12.558 1.00 0.00 C ATOM 266 O GLY A 31 7.614 18.964 11.964 1.00 0.00 O ATOM 0 HA2 GLY A 31 9.450 17.969 14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.801 17.375 14.404 1.00 0.00 H new ATOM 270 N THR A 32 9.376 17.565 11.933 1.00 0.00 N ATOM 271 CA THR A 32 9.504 17.579 10.481 1.00 0.00 C ATOM 272 C THR A 32 9.295 16.188 9.896 1.00 0.00 C ATOM 273 O THR A 32 9.308 15.191 10.619 1.00 0.00 O ATOM 274 CB THR A 32 10.881 18.119 10.051 1.00 0.00 C ATOM 275 OG1 THR A 32 11.909 17.226 10.499 1.00 0.00 O ATOM 276 CG2 THR A 32 11.120 19.500 10.642 1.00 0.00 C ATOM 0 H THR A 32 10.056 16.973 12.410 1.00 0.00 H new ATOM 0 HA THR A 32 8.729 18.242 10.095 1.00 0.00 H new ATOM 0 HB THR A 32 10.903 18.192 8.964 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.694 17.313 9.919 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.097 19.866 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.347 20.184 10.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.087 19.441 11.730 1.00 0.00 H new ATOM 284 N HIS A 33 9.101 16.126 8.583 1.00 0.00 N ATOM 285 CA HIS A 33 8.892 14.857 7.898 1.00 0.00 C ATOM 286 C HIS A 33 9.352 14.931 6.448 1.00 0.00 C ATOM 287 O HIS A 33 9.573 16.016 5.911 1.00 0.00 O ATOM 288 CB HIS A 33 7.416 14.450 7.951 1.00 0.00 C ATOM 289 CG HIS A 33 6.503 15.405 7.248 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.848 16.427 7.903 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.134 15.493 5.948 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.117 17.104 7.034 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.272 16.557 5.843 1.00 0.00 N ATOM 0 H HIS A 33 9.084 16.942 7.971 1.00 0.00 H new ATOM 0 HA HIS A 33 9.488 14.104 8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.305 13.461 7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.108 14.367 8.993 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.917 16.629 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.457 14.848 5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.498 17.960 7.260 1.00 0.00 H new ATOM 301 N ALA A 34 9.495 13.770 5.817 1.00 0.00 N ATOM 302 CA ALA A 34 9.880 13.703 4.413 1.00 0.00 C ATOM 303 C ALA A 34 8.658 13.587 3.511 1.00 0.00 C ATOM 304 O ALA A 34 7.642 13.011 3.898 1.00 0.00 O ATOM 305 CB ALA A 34 10.824 12.532 4.178 1.00 0.00 C ATOM 0 H ALA A 34 9.350 12.861 6.257 1.00 0.00 H new ATOM 0 HA ALA A 34 10.397 14.629 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.103 12.495 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.720 12.659 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.326 11.602 4.454 1.00 0.00 H new ATOM 311 N SER A 35 8.764 14.137 2.306 1.00 0.00 N ATOM 312 CA SER A 35 7.693 14.038 1.322 1.00 0.00 C ATOM 313 C SER A 35 8.234 14.171 -0.096 1.00 0.00 C ATOM 314 O SER A 35 9.171 14.930 -0.345 1.00 0.00 O ATOM 315 CB SER A 35 6.649 15.107 1.577 1.00 0.00 C ATOM 316 OG SER A 35 5.641 15.067 0.604 1.00 0.00 O ATOM 0 H SER A 35 9.582 14.656 1.987 1.00 0.00 H new ATOM 0 HA SER A 35 7.234 13.054 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.211 14.965 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.121 16.089 1.576 1.00 0.00 H new ATOM 0 HG SER A 35 5.394 14.135 0.427 1.00 0.00 H new ATOM 322 N TYR A 36 7.639 13.428 -1.023 1.00 0.00 N ATOM 323 CA TYR A 36 8.055 13.468 -2.420 1.00 0.00 C ATOM 324 C TYR A 36 7.383 14.615 -3.162 1.00 0.00 C ATOM 325 O TYR A 36 6.196 14.550 -3.483 1.00 0.00 O ATOM 326 CB TYR A 36 7.745 12.136 -3.108 1.00 0.00 C ATOM 327 CG TYR A 36 8.183 12.081 -4.555 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.529 11.964 -4.868 1.00 0.00 C ATOM 329 CD2 TYR A 36 7.238 12.148 -5.569 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.929 11.914 -6.190 1.00 0.00 C ATOM 331 CE2 TYR A 36 7.638 12.098 -6.890 1.00 0.00 C ATOM 332 CZ TYR A 36 8.978 11.981 -7.201 1.00 0.00 C ATOM 333 OH TYR A 36 9.376 11.931 -8.518 1.00 0.00 O ATOM 0 H TYR A 36 6.866 12.790 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 36 9.132 13.635 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.234 11.331 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.672 11.951 -3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.264 11.912 -4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.190 12.239 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.977 11.823 -6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.903 12.150 -7.679 1.00 0.00 H new ATOM 0 HH TYR A 36 8.590 11.989 -9.100 1.00 0.00 H new ATOM 343 N ASN A 37 8.149 15.667 -3.434 1.00 0.00 N ATOM 344 CA ASN A 37 7.620 16.845 -4.111 1.00 0.00 C ATOM 345 C ASN A 37 7.650 16.670 -5.624 1.00 0.00 C ATOM 346 O ASN A 37 8.716 16.683 -6.239 1.00 0.00 O ATOM 347 CB ASN A 37 8.391 18.086 -3.702 1.00 0.00 C ATOM 348 CG ASN A 37 7.799 19.347 -4.268 1.00 0.00 C ATOM 349 OD1 ASN A 37 6.905 19.299 -5.121 1.00 0.00 O ATOM 350 ND2 ASN A 37 8.280 20.475 -3.811 1.00 0.00 N ATOM 0 H ASN A 37 9.139 15.727 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 37 6.580 16.967 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.411 18.155 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.425 17.993 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.917 21.362 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.018 20.467 -3.107 1.00 0.00 H new ATOM 357 N ARG A 38 6.473 16.507 -6.218 1.00 0.00 N ATOM 358 CA ARG A 38 6.369 16.164 -7.632 1.00 0.00 C ATOM 359 C ARG A 38 6.731 17.352 -8.514 1.00 0.00 C ATOM 360 O ARG A 38 6.998 17.195 -9.706 1.00 0.00 O ATOM 361 CB ARG A 38 4.961 15.697 -7.968 1.00 0.00 C ATOM 362 CG ARG A 38 4.550 14.385 -7.320 1.00 0.00 C ATOM 363 CD ARG A 38 3.110 14.092 -7.537 1.00 0.00 C ATOM 364 NE ARG A 38 2.254 15.078 -6.899 1.00 0.00 N ATOM 365 CZ ARG A 38 0.913 15.121 -7.022 1.00 0.00 C ATOM 366 NH1 ARG A 38 0.292 14.228 -7.760 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 0.222 16.061 -6.400 1.00 0.00 N ATOM 0 H ARG A 38 5.576 16.607 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 38 7.074 15.355 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.255 16.471 -7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.877 15.593 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.152 13.573 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.756 14.427 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.902 14.068 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.878 13.102 -7.145 1.00 0.00 H new ATOM 0 HE ARG A 38 2.700 15.787 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.825 13.503 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.723 14.260 -7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.704 16.754 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.793 16.094 -6.493 1.00 0.00 H new ATOM 381 N LYS A 39 6.739 18.542 -7.922 1.00 0.00 N ATOM 382 CA LYS A 39 7.098 19.756 -8.646 1.00 0.00 C ATOM 383 C LYS A 39 8.599 19.828 -8.891 1.00 0.00 C ATOM 384 O LYS A 39 9.058 20.530 -9.792 1.00 0.00 O ATOM 385 CB LYS A 39 6.629 20.994 -7.881 1.00 0.00 C ATOM 386 CG LYS A 39 5.117 21.162 -7.820 1.00 0.00 C ATOM 387 CD LYS A 39 4.729 22.407 -7.037 1.00 0.00 C ATOM 388 CE LYS A 39 3.219 22.577 -6.978 1.00 0.00 C ATOM 389 NZ LYS A 39 2.824 23.773 -6.185 1.00 0.00 N1+ ATOM 0 H LYS A 39 6.501 18.691 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 39 6.597 19.728 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.018 20.946 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.062 21.879 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.715 21.226 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.670 20.283 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.129 22.342 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.178 23.285 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.824 22.666 -7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.771 21.686 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.787 23.852 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.178 23.677 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.230 24.627 -6.619 1.00 0.00 H new ATOM 403 N THR A 40 9.361 19.098 -8.083 1.00 0.00 N ATOM 404 CA THR A 40 10.813 19.070 -8.216 1.00 0.00 C ATOM 405 C THR A 40 11.310 17.666 -8.533 1.00 0.00 C ATOM 406 O THR A 40 12.424 17.488 -9.027 1.00 0.00 O ATOM 407 CB THR A 40 11.497 19.585 -6.936 1.00 0.00 C ATOM 408 OG1 THR A 40 11.102 18.775 -5.821 1.00 0.00 O ATOM 409 CG2 THR A 40 11.109 21.032 -6.669 1.00 0.00 C ATOM 0 H THR A 40 8.996 18.517 -7.328 1.00 0.00 H new ATOM 0 HA THR A 40 11.074 19.729 -9.044 1.00 0.00 H new ATOM 0 HB THR A 40 12.577 19.528 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.424 19.183 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.602 21.379 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.419 21.653 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.028 21.102 -6.545 1.00 0.00 H new ATOM 417 N GLY A 41 10.479 16.670 -8.245 1.00 0.00 N ATOM 418 CA GLY A 41 10.788 15.289 -8.595 1.00 0.00 C ATOM 419 C GLY A 41 11.797 14.688 -7.625 1.00 0.00 C ATOM 420 O GLY A 41 12.654 13.896 -8.017 1.00 0.00 O ATOM 0 H GLY A 41 9.585 16.794 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.874 14.696 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.186 15.248 -9.609 1.00 0.00 H new ATOM 424 N GLN A 42 11.689 15.067 -6.356 1.00 0.00 N ATOM 425 CA GLN A 42 12.635 14.622 -5.340 1.00 0.00 C ATOM 426 C GLN A 42 11.992 14.604 -3.959 1.00 0.00 C ATOM 427 O GLN A 42 10.947 15.217 -3.742 1.00 0.00 O ATOM 428 CB GLN A 42 13.873 15.523 -5.329 1.00 0.00 C ATOM 429 CG GLN A 42 13.590 16.965 -4.943 1.00 0.00 C ATOM 430 CD GLN A 42 14.848 17.811 -4.905 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.912 17.388 -5.367 1.00 0.00 O ATOM 432 NE2 GLN A 42 14.735 19.014 -4.353 1.00 0.00 N ATOM 0 H GLN A 42 10.954 15.682 -6.006 1.00 0.00 H new ATOM 0 HA GLN A 42 12.938 13.605 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 42 14.604 15.109 -4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.330 15.506 -6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.886 17.397 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.110 16.989 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.836 19.323 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.547 19.629 -4.299 1.00 0.00 H new ATOM 441 N CYS A 43 12.623 13.898 -3.027 1.00 0.00 N ATOM 442 CA CYS A 43 12.158 13.862 -1.646 1.00 0.00 C ATOM 443 C CYS A 43 12.708 15.038 -0.849 1.00 0.00 C ATOM 444 O CYS A 43 13.910 15.302 -0.863 1.00 0.00 O ATOM 445 CB CYS A 43 12.575 12.556 -0.971 1.00 0.00 C ATOM 446 SG CYS A 43 11.810 11.079 -1.683 1.00 0.00 S ATOM 0 H CYS A 43 13.460 13.342 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 43 11.070 13.928 -1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.659 12.457 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.321 12.609 0.088 1.00 0.00 H new ATOM 451 N GLU A 44 11.820 15.742 -0.154 1.00 0.00 N ATOM 452 CA GLU A 44 12.199 16.946 0.575 1.00 0.00 C ATOM 453 C GLU A 44 11.687 16.907 2.009 1.00 0.00 C ATOM 454 O GLU A 44 10.615 16.366 2.280 1.00 0.00 O ATOM 455 CB GLU A 44 11.662 18.191 -0.135 1.00 0.00 C ATOM 456 CG GLU A 44 12.196 18.389 -1.547 1.00 0.00 C ATOM 457 CD GLU A 44 11.532 19.529 -2.269 1.00 0.00 C ATOM 458 OE1 GLU A 44 10.569 20.049 -1.759 1.00 0.00 O ATOM 459 OE2 GLU A 44 11.989 19.880 -3.331 1.00 0.00 O1- ATOM 0 H GLU A 44 10.832 15.499 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 44 13.288 16.990 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.574 18.130 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.910 19.069 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.270 18.570 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.051 17.471 -2.117 1.00 0.00 H new ATOM 466 N GLU A 45 12.459 17.483 2.924 1.00 0.00 N ATOM 467 CA GLU A 45 12.059 17.561 4.324 1.00 0.00 C ATOM 468 C GLU A 45 11.306 18.854 4.610 1.00 0.00 C ATOM 469 O GLU A 45 11.708 19.929 4.167 1.00 0.00 O ATOM 470 CB GLU A 45 13.285 17.461 5.235 1.00 0.00 C ATOM 471 CG GLU A 45 12.963 17.445 6.722 1.00 0.00 C ATOM 472 CD GLU A 45 14.189 17.328 7.585 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.270 17.295 7.047 1.00 0.00 O ATOM 474 OE2 GLU A 45 14.045 17.272 8.783 1.00 0.00 O1- ATOM 0 H GLU A 45 13.366 17.903 2.721 1.00 0.00 H new ATOM 0 HA GLU A 45 11.392 16.723 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.835 16.554 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.946 18.302 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.427 18.358 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.294 16.611 6.935 1.00 0.00 H new ATOM 481 N GLN A 46 10.210 18.742 5.354 1.00 0.00 N ATOM 482 CA GLN A 46 9.369 19.893 5.658 1.00 0.00 C ATOM 483 C GLN A 46 8.750 19.773 7.044 1.00 0.00 C ATOM 484 O GLN A 46 8.557 18.669 7.555 1.00 0.00 O ATOM 485 CB GLN A 46 8.268 20.045 4.605 1.00 0.00 C ATOM 486 CG GLN A 46 7.339 18.848 4.499 1.00 0.00 C ATOM 487 CD GLN A 46 6.310 19.010 3.396 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.485 19.816 2.478 1.00 0.00 O ATOM 489 NE2 GLN A 46 5.228 18.244 3.481 1.00 0.00 N ATOM 0 H GLN A 46 9.884 17.864 5.758 1.00 0.00 H new ATOM 0 HA GLN A 46 10.002 20.780 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.677 20.930 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.731 20.219 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.928 17.950 4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.828 18.703 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.125 17.591 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.500 18.309 2.769 1.00 0.00 H new ATOM 498 N LYS A 47 8.440 20.914 7.649 1.00 0.00 N ATOM 499 CA LYS A 47 7.901 20.942 9.004 1.00 0.00 C ATOM 500 C LYS A 47 6.383 20.816 8.996 1.00 0.00 C ATOM 501 O LYS A 47 5.696 21.526 8.261 1.00 0.00 O ATOM 502 CB LYS A 47 8.319 22.227 9.721 1.00 0.00 C ATOM 503 CG LYS A 47 7.897 22.297 11.182 1.00 0.00 C ATOM 504 CD LYS A 47 8.336 23.606 11.821 1.00 0.00 C ATOM 505 CE LYS A 47 9.847 23.661 11.992 1.00 0.00 C ATOM 506 NZ LYS A 47 10.285 24.907 12.678 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.553 21.833 7.222 1.00 0.00 H new ATOM 0 HA LYS A 47 8.310 20.088 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.403 22.325 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.894 23.079 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.814 22.199 11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.330 21.459 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.008 24.442 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.854 23.718 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.179 22.795 12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.325 23.598 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.321 24.905 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.991 25.733 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.850 24.955 13.621 1.00 0.00 H new ATOM 520 N GLY A 48 5.865 19.909 9.817 1.00 0.00 N ATOM 521 CA GLY A 48 4.424 19.723 9.942 1.00 0.00 C ATOM 522 C GLY A 48 4.091 18.322 10.437 1.00 0.00 C ATOM 523 O GLY A 48 4.924 17.417 10.377 1.00 0.00 O ATOM 0 H GLY A 48 6.422 19.291 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.018 20.462 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.947 19.893 8.977 1.00 0.00 H new ATOM 527 N THR A 49 2.867 18.148 10.925 1.00 0.00 N ATOM 528 CA THR A 49 2.434 16.866 11.468 1.00 0.00 C ATOM 529 C THR A 49 1.055 16.485 10.945 1.00 0.00 C ATOM 530 O THR A 49 0.096 16.384 11.711 1.00 0.00 O ATOM 531 CB THR A 49 2.415 16.893 13.007 1.00 0.00 C ATOM 532 OG1 THR A 49 1.583 17.970 13.458 1.00 0.00 O ATOM 533 CG2 THR A 49 3.821 17.080 13.555 1.00 0.00 C ATOM 0 H THR A 49 2.157 18.880 10.955 1.00 0.00 H new ATOM 0 HA THR A 49 3.154 16.116 11.139 1.00 0.00 H new ATOM 0 HB THR A 49 2.020 15.943 13.367 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.679 17.858 13.097 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.788 17.097 14.644 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.453 16.256 13.224 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.231 18.022 13.190 1.00 0.00 H new ATOM 541 N GLU A 50 0.960 16.274 9.637 1.00 0.00 N ATOM 542 CA GLU A 50 -0.240 15.704 9.037 1.00 0.00 C ATOM 543 C GLU A 50 -1.429 16.646 9.182 1.00 0.00 C ATOM 544 O GLU A 50 -2.563 16.205 9.369 1.00 0.00 O ATOM 545 CB GLU A 50 -0.566 14.353 9.678 1.00 0.00 C ATOM 546 CG GLU A 50 0.505 13.290 9.482 1.00 0.00 C ATOM 547 CD GLU A 50 0.111 11.952 10.044 1.00 0.00 C ATOM 548 OE1 GLU A 50 -0.602 11.925 11.018 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.524 10.956 9.498 1.00 0.00 O1- ATOM 0 H GLU A 50 1.702 16.490 8.971 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.045 15.559 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.724 14.500 10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.505 13.986 9.265 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.714 13.184 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.429 13.620 9.957 1.00 0.00 H new ATOM 556 N CYS A 51 -1.162 17.944 9.096 1.00 0.00 N ATOM 557 CA CYS A 51 -2.216 18.949 9.172 1.00 0.00 C ATOM 558 C CYS A 51 -2.855 19.182 7.809 1.00 0.00 C ATOM 559 O CYS A 51 -2.746 20.268 7.239 1.00 0.00 O ATOM 560 CB CYS A 51 -1.661 20.272 9.701 1.00 0.00 C ATOM 561 SG CYS A 51 -0.993 20.174 11.379 1.00 0.00 S ATOM 0 H CYS A 51 -0.224 18.326 8.974 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.976 18.574 9.857 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.876 20.619 9.029 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.453 21.020 9.680 1.00 0.00 H new ATOM 566 N GLY A 52 -3.522 18.156 7.291 1.00 0.00 N ATOM 567 CA GLY A 52 -4.223 18.263 6.017 1.00 0.00 C ATOM 568 C GLY A 52 -3.305 17.915 4.852 1.00 0.00 C ATOM 569 O GLY A 52 -2.094 17.773 5.025 1.00 0.00 O ATOM 0 H GLY A 52 -3.592 17.240 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.085 17.596 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.604 19.277 5.893 1.00 0.00 H new ATOM 573 N GLY A 53 -3.888 17.779 3.666 1.00 0.00 N ATOM 574 CA GLY A 53 -3.131 17.397 2.480 1.00 0.00 C ATOM 575 C GLY A 53 -3.368 15.935 2.123 1.00 0.00 C ATOM 576 O GLY A 53 -4.374 15.345 2.516 1.00 0.00 O ATOM 0 H GLY A 53 -4.883 17.928 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.420 18.030 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.068 17.564 2.654 1.00 0.00 H new ATOM 580 N GLY A 54 -2.435 15.355 1.375 1.00 0.00 N ATOM 581 CA GLY A 54 -2.530 13.954 0.982 1.00 0.00 C ATOM 582 C GLY A 54 -1.788 13.055 1.963 1.00 0.00 C ATOM 583 O GLY A 54 -1.478 13.464 3.082 1.00 0.00 O ATOM 0 H GLY A 54 -1.604 15.834 1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.578 13.657 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.116 13.825 -0.018 1.00 0.00 H new ATOM 587 N GLU A 55 -1.506 11.829 1.536 1.00 0.00 N ATOM 588 CA GLU A 55 -0.773 10.879 2.365 1.00 0.00 C ATOM 589 C GLU A 55 0.702 10.840 1.986 1.00 0.00 C ATOM 590 O GLU A 55 1.437 9.947 2.407 1.00 0.00 O ATOM 591 CB GLU A 55 -1.380 9.480 2.237 1.00 0.00 C ATOM 592 CG GLU A 55 -2.816 9.371 2.729 1.00 0.00 C ATOM 593 CD GLU A 55 -2.953 9.643 4.201 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.091 9.239 4.943 1.00 0.00 O ATOM 595 OE2 GLU A 55 -3.922 10.257 4.584 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.774 11.469 0.620 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.852 11.210 3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.343 9.175 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.763 8.777 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.439 10.074 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.194 8.372 2.513 1.00 0.00 H new ATOM 602 N ASN A 56 1.128 11.813 1.188 1.00 0.00 N ATOM 603 CA ASN A 56 2.507 11.868 0.716 1.00 0.00 C ATOM 604 C ASN A 56 3.436 12.411 1.793 1.00 0.00 C ATOM 605 O ASN A 56 3.822 13.579 1.763 1.00 0.00 O ATOM 606 CB ASN A 56 2.606 12.705 -0.546 1.00 0.00 C ATOM 607 CG ASN A 56 3.995 12.718 -1.123 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.985 12.593 -0.393 1.00 0.00 O ATOM 609 ND2 ASN A 56 4.087 12.866 -2.420 1.00 0.00 N ATOM 0 H ASN A 56 0.538 12.575 0.854 1.00 0.00 H new ATOM 0 HA ASN A 56 2.822 10.851 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.911 12.317 -1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.299 13.727 -0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.003 12.882 -2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.242 12.966 -2.983 1.00 0.00 H new ATOM 616 N HIS A 57 3.794 11.555 2.745 1.00 0.00 N ATOM 617 CA HIS A 57 4.796 11.898 3.747 1.00 0.00 C ATOM 618 C HIS A 57 5.407 10.648 4.366 1.00 0.00 C ATOM 619 O HIS A 57 4.773 9.594 4.415 1.00 0.00 O ATOM 620 CB HIS A 57 4.184 12.772 4.847 1.00 0.00 C ATOM 621 CG HIS A 57 3.040 12.125 5.563 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.792 11.981 4.992 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.953 11.585 6.801 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.987 11.379 5.850 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.667 11.129 6.954 1.00 0.00 N ATOM 0 H HIS A 57 3.404 10.618 2.843 1.00 0.00 H new ATOM 0 HA HIS A 57 5.585 12.457 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.958 13.024 5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.842 13.709 4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.746 11.524 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.050 11.133 5.678 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.296 10.671 7.787 1.00 0.00 H new ATOM 633 N PHE A 58 6.644 10.771 4.837 1.00 0.00 N ATOM 634 CA PHE A 58 7.418 9.613 5.268 1.00 0.00 C ATOM 635 C PHE A 58 8.156 9.897 6.570 1.00 0.00 C ATOM 636 O PHE A 58 8.368 11.054 6.934 1.00 0.00 O ATOM 637 CB PHE A 58 8.421 9.208 4.186 1.00 0.00 C ATOM 638 CG PHE A 58 7.788 8.900 2.858 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.597 9.900 1.916 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.383 7.610 2.549 1.00 0.00 C ATOM 641 CE1 PHE A 58 7.015 9.618 0.695 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.802 7.325 1.328 1.00 0.00 C ATOM 643 CZ PHE A 58 6.618 8.331 0.400 1.00 0.00 C ATOM 0 H PHE A 58 7.132 11.662 4.930 1.00 0.00 H new ATOM 0 HA PHE A 58 6.720 8.793 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.145 10.012 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.975 8.333 4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.907 10.910 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.523 6.819 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.871 10.406 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.492 6.316 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.164 8.110 -0.555 1.00 0.00 H new ATOM 653 N GLU A 59 8.545 8.835 7.267 1.00 0.00 N ATOM 654 CA GLU A 59 9.268 8.969 8.526 1.00 0.00 C ATOM 655 C GLU A 59 10.597 9.686 8.325 1.00 0.00 C ATOM 656 O GLU A 59 11.020 10.477 9.167 1.00 0.00 O ATOM 657 CB GLU A 59 9.510 7.593 9.151 1.00 0.00 C ATOM 658 CG GLU A 59 8.247 6.889 9.628 1.00 0.00 C ATOM 659 CD GLU A 59 8.504 5.486 10.103 1.00 0.00 C ATOM 660 OE1 GLU A 59 9.187 5.327 11.086 1.00 0.00 O ATOM 661 OE2 GLU A 59 8.017 4.571 9.481 1.00 0.00 O1- ATOM 0 H GLU A 59 8.372 7.871 6.981 1.00 0.00 H new ATOM 0 HA GLU A 59 8.654 9.566 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.011 6.958 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.190 7.705 9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.800 7.465 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.521 6.865 8.815 1.00 0.00 H new ATOM 668 N THR A 60 11.251 9.405 7.203 1.00 0.00 N ATOM 669 CA THR A 60 12.519 10.045 6.875 1.00 0.00 C ATOM 670 C THR A 60 12.779 10.015 5.374 1.00 0.00 C ATOM 671 O THR A 60 12.002 9.441 4.611 1.00 0.00 O ATOM 672 CB THR A 60 13.688 9.370 7.615 1.00 0.00 C ATOM 673 OG1 THR A 60 14.879 10.150 7.445 1.00 0.00 O ATOM 674 CG2 THR A 60 13.924 7.968 7.075 1.00 0.00 C ATOM 0 H THR A 60 10.923 8.737 6.505 1.00 0.00 H new ATOM 0 HA THR A 60 12.449 11.084 7.198 1.00 0.00 H new ATOM 0 HB THR A 60 13.437 9.303 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.622 9.720 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.754 7.507 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.025 7.368 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.163 8.023 6.013 1.00 0.00 H new ATOM 682 N LEU A 61 13.876 10.637 4.956 1.00 0.00 N ATOM 683 CA LEU A 61 14.167 10.808 3.538 1.00 0.00 C ATOM 684 C LEU A 61 14.518 9.477 2.884 1.00 0.00 C ATOM 685 O LEU A 61 14.227 9.257 1.708 1.00 0.00 O ATOM 686 CB LEU A 61 15.323 11.798 3.349 1.00 0.00 C ATOM 687 CG LEU A 61 15.006 13.262 3.680 1.00 0.00 C ATOM 688 CD1 LEU A 61 16.291 14.079 3.654 1.00 0.00 C ATOM 689 CD2 LEU A 61 13.995 13.801 2.680 1.00 0.00 C ATOM 0 H LEU A 61 14.579 11.032 5.581 1.00 0.00 H new ATOM 0 HA LEU A 61 13.271 11.202 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.158 11.476 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.658 11.743 2.313 1.00 0.00 H new ATOM 0 HG LEU A 61 14.574 13.333 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.066 15.119 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.989 13.683 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.740 14.020 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.770 14.841 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.409 13.738 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.080 13.211 2.733 1.00 0.00 H new ATOM 701 N LEU A 62 15.144 8.593 3.652 1.00 0.00 N ATOM 702 CA LEU A 62 15.504 7.269 3.160 1.00 0.00 C ATOM 703 C LEU A 62 14.264 6.451 2.821 1.00 0.00 C ATOM 704 O LEU A 62 14.233 5.741 1.816 1.00 0.00 O ATOM 705 CB LEU A 62 16.345 6.525 4.205 1.00 0.00 C ATOM 706 CG LEU A 62 17.751 7.087 4.450 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.390 6.363 5.627 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.589 6.927 3.190 1.00 0.00 C ATOM 0 H LEU A 62 15.413 8.770 4.620 1.00 0.00 H new ATOM 0 HA LEU A 62 16.090 7.399 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.803 6.528 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.439 5.484 3.895 1.00 0.00 H new ATOM 0 HG LEU A 62 17.691 8.148 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.389 6.762 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.780 6.509 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.459 5.298 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.588 7.326 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.661 5.870 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.119 7.469 2.369 1.00 0.00 H new ATOM 720 N LYS A 63 13.244 6.555 3.666 1.00 0.00 N ATOM 721 CA LYS A 63 11.978 5.873 3.427 1.00 0.00 C ATOM 722 C LYS A 63 11.289 6.411 2.180 1.00 0.00 C ATOM 723 O LYS A 63 10.753 5.648 1.376 1.00 0.00 O ATOM 724 CB LYS A 63 11.056 6.013 4.639 1.00 0.00 C ATOM 725 CG LYS A 63 9.765 5.211 4.543 1.00 0.00 C ATOM 726 CD LYS A 63 8.914 5.384 5.792 1.00 0.00 C ATOM 727 CE LYS A 63 7.679 4.496 5.749 1.00 0.00 C ATOM 728 NZ LYS A 63 6.809 4.693 6.940 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.270 7.106 4.524 1.00 0.00 H new ATOM 0 HA LYS A 63 12.194 4.817 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.599 5.700 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.806 7.066 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.200 5.531 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.999 4.156 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.507 5.143 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.611 6.427 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.110 4.710 4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.985 3.451 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.074 3.957 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.384 4.630 7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.360 5.630 6.891 1.00 0.00 H new ATOM 742 N CYS A 64 11.307 7.731 2.023 1.00 0.00 N ATOM 743 CA CYS A 64 10.755 8.369 0.834 1.00 0.00 C ATOM 744 C CYS A 64 11.463 7.890 -0.427 1.00 0.00 C ATOM 745 O CYS A 64 10.821 7.476 -1.392 1.00 0.00 O ATOM 746 CB CYS A 64 10.876 9.889 0.934 1.00 0.00 C ATOM 747 SG CYS A 64 10.196 10.780 -0.486 1.00 0.00 S ATOM 0 H CYS A 64 11.699 8.380 2.706 1.00 0.00 H new ATOM 0 HA CYS A 64 9.702 8.092 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.367 10.224 1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.928 10.152 1.045 1.00 0.00 H new ATOM 752 N ASN A 65 12.791 7.949 -0.413 1.00 0.00 N ATOM 753 CA ASN A 65 13.588 7.560 -1.570 1.00 0.00 C ATOM 754 C ASN A 65 13.284 6.128 -1.992 1.00 0.00 C ATOM 755 O ASN A 65 13.020 5.859 -3.164 1.00 0.00 O ATOM 756 CB ASN A 65 15.068 7.728 -1.280 1.00 0.00 C ATOM 757 CG ASN A 65 15.929 7.427 -2.476 1.00 0.00 C ATOM 758 OD1 ASN A 65 15.621 7.844 -3.598 1.00 0.00 O ATOM 759 ND2 ASN A 65 17.001 6.710 -2.257 1.00 0.00 N ATOM 0 H ASN A 65 13.338 8.263 0.389 1.00 0.00 H new ATOM 0 HA ASN A 65 13.320 8.217 -2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.256 8.749 -0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.351 7.070 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.623 6.473 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.215 6.388 -1.313 1.00 0.00 H new ATOM 766 N GLU A 66 13.322 5.212 -1.030 1.00 0.00 N ATOM 767 CA GLU A 66 13.092 3.800 -1.308 1.00 0.00 C ATOM 768 C GLU A 66 11.674 3.561 -1.810 1.00 0.00 C ATOM 769 O GLU A 66 11.454 2.768 -2.726 1.00 0.00 O ATOM 770 CB GLU A 66 13.347 2.961 -0.054 1.00 0.00 C ATOM 771 CG GLU A 66 14.811 2.869 0.353 1.00 0.00 C ATOM 772 CD GLU A 66 15.018 2.084 1.619 1.00 0.00 C ATOM 773 OE1 GLU A 66 14.046 1.714 2.231 1.00 0.00 O ATOM 774 OE2 GLU A 66 16.150 1.855 1.973 1.00 0.00 O1- ATOM 0 H GLU A 66 13.510 5.423 -0.050 1.00 0.00 H new ATOM 0 HA GLU A 66 13.789 3.497 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.778 3.384 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.965 1.954 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.379 2.405 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.210 3.875 0.486 1.00 0.00 H new ATOM 781 N SER A 67 10.713 4.251 -1.205 1.00 0.00 N ATOM 782 CA SER A 67 9.312 4.108 -1.583 1.00 0.00 C ATOM 783 C SER A 67 9.095 4.479 -3.044 1.00 0.00 C ATOM 784 O SER A 67 8.357 3.804 -3.763 1.00 0.00 O ATOM 785 CB SER A 67 8.441 4.976 -0.696 1.00 0.00 C ATOM 786 OG SER A 67 8.484 4.538 0.634 1.00 0.00 O ATOM 0 H SER A 67 10.879 4.916 -0.450 1.00 0.00 H new ATOM 0 HA SER A 67 9.033 3.063 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.776 6.012 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.413 4.954 -1.057 1.00 0.00 H new ATOM 0 HG SER A 67 9.399 4.621 0.976 1.00 0.00 H new ATOM 792 N CYS A 68 9.741 5.556 -3.478 1.00 0.00 N ATOM 793 CA CYS A 68 9.610 6.026 -4.852 1.00 0.00 C ATOM 794 C CYS A 68 10.425 5.165 -5.809 1.00 0.00 C ATOM 795 O CYS A 68 10.074 5.021 -6.980 1.00 0.00 O ATOM 796 CB CYS A 68 10.066 7.481 -4.969 1.00 0.00 C ATOM 797 SG CYS A 68 9.005 8.659 -4.099 1.00 0.00 S ATOM 0 H CYS A 68 10.361 6.120 -2.897 1.00 0.00 H new ATOM 0 HA CYS A 68 8.557 5.953 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.080 7.565 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.106 7.754 -6.023 1.00 0.00 H new ATOM 802 N ASN A 69 11.513 4.596 -5.304 1.00 0.00 N ATOM 803 CA ASN A 69 12.325 3.669 -6.083 1.00 0.00 C ATOM 804 C ASN A 69 11.576 2.368 -6.346 1.00 0.00 C ATOM 805 O ASN A 69 11.844 1.675 -7.328 1.00 0.00 O ATOM 806 CB ASN A 69 13.643 3.394 -5.382 1.00 0.00 C ATOM 807 CG ASN A 69 14.595 4.554 -5.467 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.439 5.441 -6.314 1.00 0.00 O ATOM 809 ND2 ASN A 69 15.579 4.566 -4.604 1.00 0.00 N ATOM 0 H ASN A 69 11.854 4.761 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 69 12.536 4.135 -7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.452 3.162 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.109 2.513 -5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.256 5.329 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.669 3.813 -3.922 1.00 0.00 H new ATOM 816 N ASP A 70 10.638 2.043 -5.464 1.00 0.00 N ATOM 817 CA ASP A 70 9.833 0.836 -5.612 1.00 0.00 C ATOM 818 C ASP A 70 8.481 1.148 -6.240 1.00 0.00 C ATOM 819 O ASP A 70 7.573 0.317 -6.227 1.00 0.00 O ATOM 820 CB ASP A 70 9.627 0.159 -4.254 1.00 0.00 C ATOM 821 CG ASP A 70 10.915 -0.410 -3.674 1.00 0.00 C ATOM 822 OD1 ASP A 70 11.800 -0.721 -4.436 1.00 0.00 O ATOM 823 OD2 ASP A 70 11.002 -0.528 -2.476 1.00 0.00 O1- ATOM 0 H ASP A 70 10.416 2.599 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 70 10.373 0.158 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.207 0.881 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.897 -0.643 -4.361 1.00 0.00 H new ATOM 874 N PRO A 74 7.033 4.032 -14.466 1.00 0.00 N ATOM 875 CA PRO A 74 8.239 3.878 -15.271 1.00 0.00 C ATOM 876 C PRO A 74 9.349 4.800 -14.782 1.00 0.00 C ATOM 877 O PRO A 74 9.106 5.963 -14.458 1.00 0.00 O ATOM 878 CB PRO A 74 7.766 4.260 -16.677 1.00 0.00 C ATOM 879 CG PRO A 74 6.313 3.928 -16.677 1.00 0.00 C ATOM 880 CD PRO A 74 5.843 4.306 -15.298 1.00 0.00 C ATOM 0 HA PRO A 74 8.664 2.875 -15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.933 5.318 -16.879 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.302 3.700 -17.443 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.778 4.485 -17.446 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.147 2.869 -16.877 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.543 5.353 -15.245 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.984 3.712 -14.985 1.00 0.00 H new ATOM 888 N PRO A 75 10.568 4.275 -14.731 1.00 0.00 N ATOM 889 CA PRO A 75 11.715 5.044 -14.264 1.00 0.00 C ATOM 890 C PRO A 75 12.149 6.071 -15.301 1.00 0.00 C ATOM 891 O PRO A 75 12.910 6.990 -14.998 1.00 0.00 O ATOM 892 CB PRO A 75 12.787 3.970 -14.050 1.00 0.00 C ATOM 893 CG PRO A 75 12.436 2.903 -15.030 1.00 0.00 C ATOM 894 CD PRO A 75 10.930 2.875 -15.030 1.00 0.00 C ATOM 0 HA PRO A 75 11.508 5.623 -13.364 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.787 4.364 -14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.774 3.592 -13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.829 3.129 -16.021 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.851 1.940 -14.734 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.533 2.553 -15.993 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.540 2.189 -14.279 1.00 0.00 H new ATOM 902 N CYS A 76 11.661 5.910 -16.526 1.00 0.00 N ATOM 903 CA CYS A 76 11.989 6.830 -17.609 1.00 0.00 C ATOM 904 C CYS A 76 10.931 7.917 -17.749 1.00 0.00 C ATOM 905 O CYS A 76 10.954 8.701 -18.697 1.00 0.00 O ATOM 906 CB CYS A 76 12.118 6.078 -18.934 1.00 0.00 C ATOM 907 SG CYS A 76 13.463 4.868 -18.969 1.00 0.00 S ATOM 0 H CYS A 76 11.036 5.150 -16.794 1.00 0.00 H new ATOM 0 HA CYS A 76 12.942 7.297 -17.362 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.178 5.567 -19.142 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.272 6.800 -19.736 1.00 0.00 H new ATOM 912 N SER A 77 10.003 7.958 -16.798 1.00 0.00 N ATOM 913 CA SER A 77 8.951 8.967 -16.797 1.00 0.00 C ATOM 914 C SER A 77 9.366 10.194 -15.995 1.00 0.00 C ATOM 915 O SER A 77 8.849 11.291 -16.208 1.00 0.00 O ATOM 916 CB SER A 77 7.672 8.388 -16.227 1.00 0.00 C ATOM 917 OG SER A 77 7.811 8.111 -14.860 1.00 0.00 O ATOM 0 H SER A 77 9.959 7.303 -16.017 1.00 0.00 H new ATOM 0 HA SER A 77 8.779 9.275 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.852 9.090 -16.378 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.412 7.475 -16.762 1.00 0.00 H new ATOM 0 HG SER A 77 8.062 7.171 -14.740 1.00 0.00 H new ATOM 923 N LEU A 78 10.302 10.002 -15.072 1.00 0.00 N ATOM 924 CA LEU A 78 10.765 11.086 -14.213 1.00 0.00 C ATOM 925 C LEU A 78 12.075 11.673 -14.723 1.00 0.00 C ATOM 926 O LEU A 78 12.769 11.056 -15.531 1.00 0.00 O ATOM 927 CB LEU A 78 10.948 10.581 -12.776 1.00 0.00 C ATOM 928 CG LEU A 78 9.698 9.987 -12.115 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.039 9.531 -10.702 1.00 0.00 C ATOM 930 CD2 LEU A 78 8.588 11.028 -12.101 1.00 0.00 C ATOM 0 H LEU A 78 10.756 9.105 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 78 10.009 11.871 -14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.732 9.824 -12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.302 11.409 -12.162 1.00 0.00 H new ATOM 0 HG LEU A 78 9.351 9.123 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.151 9.109 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.822 8.774 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.388 10.383 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.699 10.606 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.916 11.902 -11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.353 11.323 -13.124 1.00 0.00 H new ATOM 942 N GLU A 79 12.407 12.868 -14.247 1.00 0.00 N ATOM 943 CA GLU A 79 13.576 13.589 -14.735 1.00 0.00 C ATOM 944 C GLU A 79 14.833 13.175 -13.981 1.00 0.00 C ATOM 945 O GLU A 79 14.757 12.524 -12.938 1.00 0.00 O ATOM 946 CB GLU A 79 13.365 15.099 -14.604 1.00 0.00 C ATOM 947 CG GLU A 79 12.219 15.648 -15.442 1.00 0.00 C ATOM 948 CD GLU A 79 12.040 17.133 -15.285 1.00 0.00 C ATOM 949 OE1 GLU A 79 12.819 17.736 -14.587 1.00 0.00 O ATOM 950 OE2 GLU A 79 11.121 17.664 -15.864 1.00 0.00 O1- ATOM 0 H GLU A 79 11.882 13.358 -13.523 1.00 0.00 H new ATOM 0 HA GLU A 79 13.708 13.336 -15.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.181 15.338 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.285 15.608 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.400 15.418 -16.492 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.295 15.144 -15.160 1.00 0.00 H new ATOM 957 N VAL A 80 15.989 13.556 -14.513 1.00 0.00 N ATOM 958 CA VAL A 80 17.265 13.224 -13.891 1.00 0.00 C ATOM 959 C VAL A 80 17.370 13.823 -12.495 1.00 0.00 C ATOM 960 O VAL A 80 17.112 15.011 -12.297 1.00 0.00 O ATOM 961 CB VAL A 80 18.431 13.740 -14.756 1.00 0.00 C ATOM 962 CG1 VAL A 80 19.756 13.549 -14.032 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.440 13.019 -16.095 1.00 0.00 C ATOM 0 H VAL A 80 16.068 14.096 -15.375 1.00 0.00 H new ATOM 0 HA VAL A 80 17.321 12.138 -13.810 1.00 0.00 H new ATOM 0 HB VAL A 80 18.294 14.807 -14.935 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.569 13.919 -14.657 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.740 14.102 -13.093 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.909 12.489 -13.827 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.267 13.389 -16.702 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.561 11.948 -15.931 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.499 13.203 -16.614 1.00 0.00 H new ATOM 973 N ASP A 81 17.749 12.995 -11.528 1.00 0.00 N ATOM 974 CA ASP A 81 17.941 13.454 -10.157 1.00 0.00 C ATOM 975 C ASP A 81 19.075 12.697 -9.477 1.00 0.00 C ATOM 976 O ASP A 81 18.879 11.593 -8.967 1.00 0.00 O ATOM 977 CB ASP A 81 16.652 13.287 -9.350 1.00 0.00 C ATOM 978 CG ASP A 81 16.776 13.802 -7.922 1.00 0.00 C ATOM 979 OD1 ASP A 81 17.858 14.181 -7.540 1.00 0.00 O ATOM 980 OD2 ASP A 81 15.788 13.813 -7.228 1.00 0.00 O1- ATOM 0 H ASP A 81 17.930 12.001 -11.668 1.00 0.00 H new ATOM 0 HA ASP A 81 18.205 14.511 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.843 13.817 -9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.377 12.232 -9.328 1.00 0.00 H new ATOM 985 N TYR A 82 20.261 13.296 -9.472 1.00 0.00 N ATOM 986 CA TYR A 82 21.428 12.679 -8.855 1.00 0.00 C ATOM 987 C TYR A 82 21.755 13.333 -7.519 1.00 0.00 C ATOM 988 O TYR A 82 22.873 13.217 -7.017 1.00 0.00 O ATOM 989 CB TYR A 82 22.635 12.758 -9.793 1.00 0.00 C ATOM 990 CG TYR A 82 22.914 14.151 -10.312 1.00 0.00 C ATOM 991 CD1 TYR A 82 23.693 15.025 -9.568 1.00 0.00 C ATOM 992 CD2 TYR A 82 22.392 14.554 -11.532 1.00 0.00 C ATOM 993 CE1 TYR A 82 23.949 16.297 -10.042 1.00 0.00 C ATOM 994 CE2 TYR A 82 22.647 15.826 -12.006 1.00 0.00 C ATOM 995 CZ TYR A 82 23.422 16.696 -11.266 1.00 0.00 C ATOM 996 OH TYR A 82 23.677 17.963 -11.737 1.00 0.00 O ATOM 0 H TYR A 82 20.439 14.210 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 82 21.193 11.631 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 82 23.517 12.393 -9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 82 22.470 12.091 -10.639 1.00 0.00 H new ATOM 0 HD1 TYR A 82 24.099 14.711 -8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 82 21.786 13.873 -12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 82 24.556 16.979 -9.465 1.00 0.00 H new ATOM 0 HE2 TYR A 82 22.240 16.140 -12.956 1.00 0.00 H new ATOM 0 HH TYR A 82 23.238 18.084 -12.605 1.00 0.00 H new ATOM 1006 N GLY A 83 20.773 14.022 -6.947 1.00 0.00 N ATOM 1007 CA GLY A 83 20.928 14.626 -5.629 1.00 0.00 C ATOM 1008 C GLY A 83 21.714 15.928 -5.708 1.00 0.00 C ATOM 1009 O GLY A 83 22.176 16.321 -6.780 1.00 0.00 O ATOM 0 H GLY A 83 19.861 14.176 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.946 14.817 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.439 13.929 -4.965 1.00 0.00 H new ATOM 1013 N VAL A 84 21.862 16.594 -4.568 1.00 0.00 N ATOM 1014 CA VAL A 84 22.649 17.819 -4.494 1.00 0.00 C ATOM 1015 C VAL A 84 23.716 17.724 -3.410 1.00 0.00 C ATOM 1016 O VAL A 84 24.031 18.712 -2.748 1.00 0.00 O ATOM 1017 CB VAL A 84 21.736 19.025 -4.206 1.00 0.00 C ATOM 1018 CG1 VAL A 84 20.797 19.274 -5.377 1.00 0.00 C ATOM 1019 CG2 VAL A 84 20.950 18.785 -2.926 1.00 0.00 C ATOM 0 H VAL A 84 21.447 16.306 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 84 23.141 17.955 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 84 22.354 19.913 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 84 20.159 20.130 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.381 19.479 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.177 18.392 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.306 19.642 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.338 17.890 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.641 18.651 -2.094 1.00 0.00 H new ATOM 1029 N GLY A 85 24.268 16.528 -3.235 1.00 0.00 N ATOM 1030 CA GLY A 85 25.236 16.280 -2.173 1.00 0.00 C ATOM 1031 C GLY A 85 26.663 16.466 -2.674 1.00 0.00 C ATOM 1032 O GLY A 85 26.898 17.160 -3.663 1.00 0.00 O ATOM 0 H GLY A 85 24.061 15.715 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.049 16.958 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.111 15.266 -1.792 1.00 0.00 H new ATOM 1036 N ARG A 86 27.612 15.843 -1.985 1.00 0.00 N ATOM 1037 CA ARG A 86 29.023 15.985 -2.323 1.00 0.00 C ATOM 1038 C ARG A 86 29.715 14.629 -2.384 1.00 0.00 C ATOM 1039 O ARG A 86 30.931 14.534 -2.221 1.00 0.00 O ATOM 1040 CB ARG A 86 29.732 16.867 -1.306 1.00 0.00 C ATOM 1041 CG ARG A 86 29.270 18.316 -1.284 1.00 0.00 C ATOM 1042 CD ARG A 86 29.623 19.024 -2.541 1.00 0.00 C ATOM 1043 NE ARG A 86 29.223 20.422 -2.506 1.00 0.00 N ATOM 1044 CZ ARG A 86 28.017 20.882 -2.892 1.00 0.00 C ATOM 1045 NH1 ARG A 86 27.106 20.046 -3.338 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 27.750 22.175 -2.822 1.00 0.00 N ATOM 0 H ARG A 86 27.429 15.234 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 86 29.078 16.451 -3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 86 29.589 16.440 -0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 86 30.802 16.845 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 86 28.191 18.352 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 86 29.724 18.830 -0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 86 30.699 18.958 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 86 29.141 18.529 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 86 29.903 21.102 -2.165 1.00 0.00 H new ATOM 0 HH11 ARG A 86 27.312 19.048 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 86 26.193 20.395 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 86 28.457 22.824 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 86 26.837 22.524 -3.114 1.00 0.00 H new ATOM 1060 N ALA A 87 28.932 13.582 -2.620 1.00 0.00 N ATOM 1061 CA ALA A 87 29.483 12.260 -2.891 1.00 0.00 C ATOM 1062 C ALA A 87 29.895 12.124 -4.352 1.00 0.00 C ATOM 1063 O ALA A 87 29.541 12.956 -5.186 1.00 0.00 O ATOM 1064 CB ALA A 87 28.476 11.180 -2.523 1.00 0.00 C ATOM 0 H ALA A 87 27.913 13.624 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 87 30.374 12.135 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 87 28.902 10.199 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 87 28.235 11.253 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 87 27.568 11.313 -3.111 1.00 0.00 H new ATOM 1070 N ASN A 88 30.646 11.070 -4.654 1.00 0.00 N ATOM 1071 CA ASN A 88 31.114 10.827 -6.013 1.00 0.00 C ATOM 1072 C ASN A 88 30.821 9.397 -6.449 1.00 0.00 C ATOM 1073 O ASN A 88 31.729 8.573 -6.556 1.00 0.00 O ATOM 1074 CB ASN A 88 32.597 11.128 -6.129 1.00 0.00 C ATOM 1075 CG ASN A 88 32.916 12.572 -5.859 1.00 0.00 C ATOM 1076 OD1 ASN A 88 32.633 13.448 -6.684 1.00 0.00 O ATOM 1077 ND2 ASN A 88 33.500 12.838 -4.718 1.00 0.00 N ATOM 0 H ASN A 88 30.944 10.370 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 88 30.572 11.498 -6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 88 33.147 10.501 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 88 32.940 10.865 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 88 33.740 13.800 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 88 33.715 12.083 -4.067 1.00 0.00 H new ATOM 1084 N ILE A 89 29.549 9.109 -6.700 1.00 0.00 N ATOM 1085 CA ILE A 89 29.139 7.788 -7.160 1.00 0.00 C ATOM 1086 C ILE A 89 28.530 7.854 -8.555 1.00 0.00 C ATOM 1087 O ILE A 89 27.387 8.278 -8.724 1.00 0.00 O ATOM 1088 CB ILE A 89 28.126 7.157 -6.186 1.00 0.00 C ATOM 1089 CG1 ILE A 89 28.729 7.050 -4.784 1.00 0.00 C ATOM 1090 CG2 ILE A 89 27.687 5.790 -6.687 1.00 0.00 C ATOM 1091 CD1 ILE A 89 27.734 6.642 -3.721 1.00 0.00 C ATOM 0 H ILE A 89 28.783 9.774 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 89 30.033 7.166 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 89 27.248 7.801 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 89 29.543 6.326 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 89 29.164 8.012 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 89 26.972 5.358 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 89 27.219 5.894 -7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 89 28.555 5.136 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 89 28.236 6.588 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 89 26.931 7.378 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 89 27.317 5.666 -3.969 1.00 0.00 H new ATOM 1103 N PRO A 90 29.300 7.432 -9.551 1.00 0.00 N ATOM 1104 CA PRO A 90 28.825 7.408 -10.930 1.00 0.00 C ATOM 1105 C PRO A 90 27.577 6.547 -11.067 1.00 0.00 C ATOM 1106 O PRO A 90 27.591 5.359 -10.742 1.00 0.00 O ATOM 1107 CB PRO A 90 30.011 6.810 -11.693 1.00 0.00 C ATOM 1108 CG PRO A 90 31.194 7.142 -10.849 1.00 0.00 C ATOM 1109 CD PRO A 90 30.698 6.997 -9.435 1.00 0.00 C ATOM 0 HA PRO A 90 28.532 8.389 -11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.901 5.733 -11.819 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.100 7.240 -12.691 1.00 0.00 H new ATOM 0 HG2 PRO A 90 32.027 6.468 -11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 90 31.549 8.154 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 90 30.777 5.970 -9.079 1.00 0.00 H new ATOM 0 HD3 PRO A 90 31.262 7.619 -8.740 1.00 0.00 H new ATOM 1117 N ARG A 91 26.497 7.152 -11.550 1.00 0.00 N ATOM 1118 CA ARG A 91 25.259 6.424 -11.802 1.00 0.00 C ATOM 1119 C ARG A 91 24.571 6.927 -13.064 1.00 0.00 C ATOM 1120 O ARG A 91 24.842 8.033 -13.532 1.00 0.00 O ATOM 1121 CB ARG A 91 24.308 6.560 -10.621 1.00 0.00 C ATOM 1122 CG ARG A 91 24.819 5.968 -9.317 1.00 0.00 C ATOM 1123 CD ARG A 91 23.775 5.985 -8.261 1.00 0.00 C ATOM 1124 NE ARG A 91 22.643 5.138 -8.603 1.00 0.00 N ATOM 1125 CZ ARG A 91 22.586 3.811 -8.381 1.00 0.00 C ATOM 1126 NH1 ARG A 91 23.601 3.194 -7.818 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 21.509 3.128 -8.730 1.00 0.00 N ATOM 0 H ARG A 91 26.454 8.146 -11.775 1.00 0.00 H new ATOM 0 HA ARG A 91 25.519 5.374 -11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.095 7.617 -10.464 1.00 0.00 H new ATOM 0 HB3 ARG A 91 23.364 6.079 -10.876 1.00 0.00 H new ATOM 0 HG2 ARG A 91 25.148 4.943 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 91 25.689 6.530 -8.978 1.00 0.00 H new ATOM 0 HD2 ARG A 91 24.207 5.650 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 91 23.430 7.008 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 91 21.835 5.580 -9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.432 3.720 -7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 91 23.557 2.189 -7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 91 20.721 3.606 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.466 2.123 -8.562 1.00 0.00 H new ATOM 1141 N TRP A 92 23.680 6.108 -13.612 1.00 0.00 N ATOM 1142 CA TRP A 92 23.061 6.400 -14.900 1.00 0.00 C ATOM 1143 C TRP A 92 21.650 6.946 -14.722 1.00 0.00 C ATOM 1144 O TRP A 92 20.865 6.419 -13.934 1.00 0.00 O ATOM 1145 CB TRP A 92 23.019 5.142 -15.769 1.00 0.00 C ATOM 1146 CG TRP A 92 24.356 4.751 -16.322 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.266 3.919 -15.743 1.00 0.00 C ATOM 1148 CD2 TRP A 92 24.943 5.178 -17.575 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.375 3.799 -16.544 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.194 4.562 -17.670 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.514 6.020 -18.609 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.028 4.759 -18.759 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.350 6.217 -19.701 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.575 5.602 -19.774 1.00 0.00 C ATOM 0 H TRP A 92 23.370 5.236 -13.184 1.00 0.00 H new ATOM 0 HA TRP A 92 23.667 7.160 -15.394 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.623 4.316 -15.179 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.326 5.304 -16.595 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.134 3.425 -14.792 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.199 3.235 -16.336 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.551 6.507 -18.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 27.993 4.278 -18.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 25.031 6.864 -20.505 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.202 5.775 -20.636 1.00 0.00 H new ATOM 1165 N TYR A 93 21.334 8.006 -15.459 1.00 0.00 N ATOM 1166 CA TYR A 93 20.010 8.612 -15.400 1.00 0.00 C ATOM 1167 C TYR A 93 19.470 8.894 -16.796 1.00 0.00 C ATOM 1168 O TYR A 93 20.228 9.209 -17.713 1.00 0.00 O ATOM 1169 CB TYR A 93 20.048 9.901 -14.576 1.00 0.00 C ATOM 1170 CG TYR A 93 20.474 9.696 -13.139 1.00 0.00 C ATOM 1171 CD1 TYR A 93 21.822 9.627 -12.819 1.00 0.00 C ATOM 1172 CD2 TYR A 93 19.517 9.576 -12.142 1.00 0.00 C ATOM 1173 CE1 TYR A 93 22.211 9.439 -11.507 1.00 0.00 C ATOM 1174 CE2 TYR A 93 19.907 9.388 -10.831 1.00 0.00 C ATOM 1175 CZ TYR A 93 21.248 9.319 -10.512 1.00 0.00 C ATOM 1176 OH TYR A 93 21.635 9.132 -9.205 1.00 0.00 O ATOM 0 H TYR A 93 21.978 8.463 -16.105 1.00 0.00 H new ATOM 0 HA TYR A 93 19.339 7.903 -14.915 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.732 10.604 -15.051 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.059 10.359 -14.590 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.567 9.720 -13.595 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.467 9.630 -12.391 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.260 9.385 -11.255 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.162 9.295 -10.055 1.00 0.00 H new ATOM 0 HH TYR A 93 20.841 9.069 -8.635 1.00 0.00 H new ATOM 1186 N TYR A 94 18.155 8.778 -16.951 1.00 0.00 N ATOM 1187 CA TYR A 94 17.510 9.027 -18.235 1.00 0.00 C ATOM 1188 C TYR A 94 17.134 10.495 -18.386 1.00 0.00 C ATOM 1189 O TYR A 94 16.394 11.044 -17.570 1.00 0.00 O ATOM 1190 CB TYR A 94 16.271 8.143 -18.392 1.00 0.00 C ATOM 1191 CG TYR A 94 15.524 8.364 -19.689 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.106 8.000 -20.894 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.258 8.930 -19.672 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.424 8.201 -22.079 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.576 9.131 -20.857 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.155 8.769 -22.056 1.00 0.00 C ATOM 1197 OH TYR A 94 13.476 8.969 -23.236 1.00 0.00 O ATOM 0 H TYR A 94 17.515 8.513 -16.203 1.00 0.00 H new ATOM 0 HA TYR A 94 18.222 8.777 -19.022 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.572 7.097 -18.331 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.595 8.330 -17.558 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.092 7.560 -20.906 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.805 9.213 -18.733 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.875 7.918 -23.019 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.590 9.571 -20.845 1.00 0.00 H new ATOM 0 HH TYR A 94 12.604 9.373 -23.047 1.00 0.00 H new ATOM 1207 N ASP A 95 17.649 11.128 -19.436 1.00 0.00 N ATOM 1208 CA ASP A 95 17.291 12.505 -19.752 1.00 0.00 C ATOM 1209 C ASP A 95 16.024 12.565 -20.596 1.00 0.00 C ATOM 1210 O ASP A 95 16.030 12.187 -21.768 1.00 0.00 O ATOM 1211 CB ASP A 95 18.437 13.202 -20.489 1.00 0.00 C ATOM 1212 CG ASP A 95 18.142 14.664 -20.797 1.00 0.00 C ATOM 1213 OD1 ASP A 95 16.989 15.026 -20.812 1.00 0.00 O ATOM 1214 OD2 ASP A 95 19.071 15.404 -21.013 1.00 0.00 O1- ATOM 0 H ASP A 95 18.316 10.708 -20.083 1.00 0.00 H new ATOM 0 HA ASP A 95 17.104 13.022 -18.811 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.342 13.139 -19.885 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.638 12.673 -21.421 1.00 0.00 H new ATOM 1219 N THR A 96 14.940 13.042 -19.994 1.00 0.00 N ATOM 1220 CA THR A 96 13.632 13.017 -20.639 1.00 0.00 C ATOM 1221 C THR A 96 13.516 14.112 -21.692 1.00 0.00 C ATOM 1222 O THR A 96 12.670 14.042 -22.582 1.00 0.00 O ATOM 1223 CB THR A 96 12.502 13.171 -19.605 1.00 0.00 C ATOM 1224 OG1 THR A 96 12.618 14.443 -18.952 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.575 12.064 -18.565 1.00 0.00 C ATOM 0 H THR A 96 14.941 13.451 -19.060 1.00 0.00 H new ATOM 0 HA THR A 96 13.532 12.048 -21.129 1.00 0.00 H new ATOM 0 HB THR A 96 11.545 13.106 -20.123 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.758 14.683 -18.547 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.768 12.190 -17.843 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.475 11.096 -19.056 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.534 12.112 -18.050 1.00 0.00 H new ATOM 1233 N ASN A 97 14.372 15.123 -21.584 1.00 0.00 N ATOM 1234 CA ASN A 97 14.336 16.257 -22.499 1.00 0.00 C ATOM 1235 C ASN A 97 15.102 15.956 -23.780 1.00 0.00 C ATOM 1236 O ASN A 97 14.714 16.392 -24.864 1.00 0.00 O ATOM 1237 CB ASN A 97 14.887 17.502 -21.827 1.00 0.00 C ATOM 1238 CG ASN A 97 13.965 18.045 -20.771 1.00 0.00 C ATOM 1239 OD1 ASN A 97 12.751 17.814 -20.811 1.00 0.00 O ATOM 1240 ND2 ASN A 97 14.518 18.763 -19.827 1.00 0.00 N ATOM 0 H ASN A 97 15.099 15.180 -20.871 1.00 0.00 H new ATOM 0 HA ASN A 97 13.295 16.439 -22.767 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.852 17.270 -21.377 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.062 18.270 -22.581 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.942 19.158 -19.083 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.525 18.927 -19.835 1.00 0.00 H new ATOM 1247 N ASN A 98 16.192 15.207 -23.650 1.00 0.00 N ATOM 1248 CA ASN A 98 16.997 14.819 -24.802 1.00 0.00 C ATOM 1249 C ASN A 98 16.767 13.358 -25.168 1.00 0.00 C ATOM 1250 O ASN A 98 17.292 12.869 -26.168 1.00 0.00 O ATOM 1251 CB ASN A 98 18.469 15.078 -24.537 1.00 0.00 C ATOM 1252 CG ASN A 98 18.794 16.545 -24.469 1.00 0.00 C ATOM 1253 OD1 ASN A 98 18.672 17.267 -25.465 1.00 0.00 O ATOM 1254 ND2 ASN A 98 19.206 16.998 -23.312 1.00 0.00 N ATOM 0 H ASN A 98 16.538 14.856 -22.757 1.00 0.00 H new ATOM 0 HA ASN A 98 16.685 15.430 -25.649 1.00 0.00 H new ATOM 0 HB2 ASN A 98 18.755 14.602 -23.599 1.00 0.00 H new ATOM 0 HB3 ASN A 98 19.063 14.614 -25.324 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.442 17.985 -23.205 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.291 16.364 -22.517 1.00 0.00 H new ATOM 1261 N ALA A 99 15.981 12.666 -24.351 1.00 0.00 N ATOM 1262 CA ALA A 99 15.637 11.274 -24.616 1.00 0.00 C ATOM 1263 C ALA A 99 16.887 10.415 -24.760 1.00 0.00 C ATOM 1264 O ALA A 99 17.048 9.697 -25.747 1.00 0.00 O ATOM 1265 CB ALA A 99 14.777 11.170 -25.867 1.00 0.00 C ATOM 0 H ALA A 99 15.570 13.047 -23.499 1.00 0.00 H new ATOM 0 HA ALA A 99 15.068 10.900 -23.765 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.528 10.125 -26.052 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.860 11.742 -25.727 1.00 0.00 H new ATOM 0 HB3 ALA A 99 15.326 11.569 -26.720 1.00 0.00 H new ATOM 1271 N THR A 100 17.769 10.493 -23.769 1.00 0.00 N ATOM 1272 CA THR A 100 19.035 9.771 -23.813 1.00 0.00 C ATOM 1273 C THR A 100 19.519 9.425 -22.411 1.00 0.00 C ATOM 1274 O THR A 100 19.188 10.108 -21.442 1.00 0.00 O ATOM 1275 CB THR A 100 20.115 10.589 -24.545 1.00 0.00 C ATOM 1276 OG1 THR A 100 21.298 9.795 -24.698 1.00 0.00 O ATOM 1277 CG2 THR A 100 20.452 11.849 -23.764 1.00 0.00 C ATOM 0 H THR A 100 17.630 11.049 -22.925 1.00 0.00 H new ATOM 0 HA THR A 100 18.860 8.846 -24.363 1.00 0.00 H new ATOM 0 HB THR A 100 19.731 10.874 -25.525 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.984 10.316 -25.165 1.00 0.00 H new ATOM 0 HG21 THR A 100 21.217 12.414 -24.297 1.00 0.00 H new ATOM 0 HG22 THR A 100 19.557 12.462 -23.658 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.824 11.576 -22.777 1.00 0.00 H new ATOM 1285 N CYS A 101 20.306 8.359 -22.309 1.00 0.00 N ATOM 1286 CA CYS A 101 20.844 7.923 -21.026 1.00 0.00 C ATOM 1287 C CYS A 101 22.269 8.422 -20.827 1.00 0.00 C ATOM 1288 O CYS A 101 23.139 8.194 -21.668 1.00 0.00 O ATOM 1289 CB CYS A 101 20.825 6.398 -20.924 1.00 0.00 C ATOM 1290 SG CYS A 101 19.175 5.669 -21.066 1.00 0.00 S ATOM 0 H CYS A 101 20.586 7.780 -23.101 1.00 0.00 H new ATOM 0 HA CYS A 101 20.211 8.347 -20.246 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.462 5.984 -21.706 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.260 6.103 -19.969 1.00 0.00 H new ATOM 1295 N GLU A 102 22.502 9.104 -19.711 1.00 0.00 N ATOM 1296 CA GLU A 102 23.807 9.691 -19.430 1.00 0.00 C ATOM 1297 C GLU A 102 24.247 9.396 -18.001 1.00 0.00 C ATOM 1298 O GLU A 102 23.418 9.169 -17.121 1.00 0.00 O ATOM 1299 CB GLU A 102 23.773 11.203 -19.661 1.00 0.00 C ATOM 1300 CG GLU A 102 23.538 11.613 -21.109 1.00 0.00 C ATOM 1301 CD GLU A 102 23.605 13.100 -21.314 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.769 13.807 -20.349 1.00 0.00 O ATOM 1303 OE2 GLU A 102 23.491 13.530 -22.438 1.00 0.00 O1- ATOM 0 H GLU A 102 21.803 9.264 -18.985 1.00 0.00 H new ATOM 0 HA GLU A 102 24.528 9.241 -20.112 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.987 11.635 -19.042 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.717 11.631 -19.323 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.281 11.130 -21.743 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.561 11.251 -21.430 1.00 0.00 H new ATOM 1310 N MET A 103 25.557 9.402 -17.778 1.00 0.00 N ATOM 1311 CA MET A 103 26.108 9.182 -16.447 1.00 0.00 C ATOM 1312 C MET A 103 26.227 10.490 -15.676 1.00 0.00 C ATOM 1313 O MET A 103 26.739 11.483 -16.195 1.00 0.00 O ATOM 1314 CB MET A 103 27.469 8.496 -16.546 1.00 0.00 C ATOM 1315 CG MET A 103 28.133 8.217 -15.205 1.00 0.00 C ATOM 1316 SD MET A 103 29.725 7.387 -15.376 1.00 0.00 S ATOM 1317 CE MET A 103 29.197 5.714 -15.735 1.00 0.00 C ATOM 0 H MET A 103 26.257 9.557 -18.503 1.00 0.00 H new ATOM 0 HA MET A 103 25.424 8.533 -15.901 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.349 7.554 -17.081 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.134 9.120 -17.144 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.273 9.157 -14.671 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.470 7.601 -14.597 1.00 0.00 H new ATOM 0 HE1 MET A 103 29.978 5.014 -15.437 1.00 0.00 H new ATOM 0 HE2 MET A 103 28.283 5.494 -15.183 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.008 5.614 -16.804 1.00 0.00 H new ATOM 1327 N PHE A 104 25.750 10.486 -14.436 1.00 0.00 N ATOM 1328 CA PHE A 104 25.857 11.655 -13.570 1.00 0.00 C ATOM 1329 C PHE A 104 26.504 11.296 -12.238 1.00 0.00 C ATOM 1330 O PHE A 104 26.539 10.128 -11.849 1.00 0.00 O ATOM 1331 CB PHE A 104 24.477 12.266 -13.325 1.00 0.00 C ATOM 1332 CG PHE A 104 23.830 12.819 -14.563 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.057 12.007 -15.379 1.00 0.00 C ATOM 1334 CD2 PHE A 104 23.993 14.150 -14.913 1.00 0.00 C ATOM 1335 CE1 PHE A 104 22.461 12.514 -16.519 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.397 14.660 -16.051 1.00 0.00 C ATOM 1337 CZ PHE A 104 22.631 13.840 -16.855 1.00 0.00 C ATOM 0 H PHE A 104 25.285 9.686 -14.008 1.00 0.00 H new ATOM 0 HA PHE A 104 26.489 12.386 -14.075 1.00 0.00 H new ATOM 0 HB2 PHE A 104 23.825 11.506 -12.894 1.00 0.00 H new ATOM 0 HB3 PHE A 104 24.569 13.063 -12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 104 22.919 10.967 -15.121 1.00 0.00 H new ATOM 0 HD2 PHE A 104 24.593 14.796 -14.289 1.00 0.00 H new ATOM 0 HE1 PHE A 104 21.862 11.871 -17.147 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.531 15.700 -16.311 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.166 14.237 -17.745 1.00 0.00 H new ATOM 1347 N THR A 105 27.014 12.306 -11.543 1.00 0.00 N ATOM 1348 CA THR A 105 27.657 12.099 -10.251 1.00 0.00 C ATOM 1349 C THR A 105 26.642 12.143 -9.117 1.00 0.00 C ATOM 1350 O THR A 105 26.161 13.212 -8.742 1.00 0.00 O ATOM 1351 CB THR A 105 28.755 13.151 -10.003 1.00 0.00 C ATOM 1352 OG1 THR A 105 29.750 13.058 -11.031 1.00 0.00 O ATOM 1353 CG2 THR A 105 29.409 12.930 -8.648 1.00 0.00 C ATOM 0 H THR A 105 26.995 13.278 -11.853 1.00 0.00 H new ATOM 0 HA THR A 105 28.115 11.110 -10.274 1.00 0.00 H new ATOM 0 HB THR A 105 28.299 14.141 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 105 30.447 13.729 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 105 30.182 13.682 -8.490 1.00 0.00 H new ATOM 0 HG22 THR A 105 28.657 13.012 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.858 11.937 -8.618 1.00 0.00 H new ATOM 1361 N TYR A 106 26.319 10.974 -8.573 1.00 0.00 N ATOM 1362 CA TYR A 106 25.354 10.876 -7.484 1.00 0.00 C ATOM 1363 C TYR A 106 25.894 11.513 -6.211 1.00 0.00 C ATOM 1364 O TYR A 106 26.966 11.146 -5.728 1.00 0.00 O ATOM 1365 CB TYR A 106 24.981 9.414 -7.230 1.00 0.00 C ATOM 1366 CG TYR A 106 23.902 9.232 -6.185 1.00 0.00 C ATOM 1367 CD1 TYR A 106 22.714 9.941 -6.285 1.00 0.00 C ATOM 1368 CD2 TYR A 106 24.100 8.356 -5.128 1.00 0.00 C ATOM 1369 CE1 TYR A 106 21.729 9.775 -5.331 1.00 0.00 C ATOM 1370 CE2 TYR A 106 23.115 8.190 -4.175 1.00 0.00 C ATOM 1371 CZ TYR A 106 21.933 8.896 -4.274 1.00 0.00 C ATOM 1372 OH TYR A 106 20.951 8.730 -3.324 1.00 0.00 O ATOM 0 H TYR A 106 26.712 10.081 -8.869 1.00 0.00 H new ATOM 0 HA TYR A 106 24.458 11.421 -7.780 1.00 0.00 H new ATOM 0 HB2 TYR A 106 24.647 8.966 -8.166 1.00 0.00 H new ATOM 0 HB3 TYR A 106 25.872 8.870 -6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 106 22.559 10.623 -7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 106 25.025 7.804 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 106 20.803 10.326 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 106 23.269 7.508 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 106 20.178 9.288 -3.551 1.00 0.00 H new ATOM 1382 N GLY A 107 25.146 12.468 -5.670 1.00 0.00 N ATOM 1383 CA GLY A 107 25.619 13.268 -4.546 1.00 0.00 C ATOM 1384 C GLY A 107 25.275 12.608 -3.217 1.00 0.00 C ATOM 1385 O GLY A 107 25.837 12.954 -2.177 1.00 0.00 O ATOM 0 H GLY A 107 24.208 12.707 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 107 26.698 13.402 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 107 25.171 14.261 -4.589 1.00 0.00 H new ATOM 1389 N GLY A 108 24.349 11.657 -3.257 1.00 0.00 N ATOM 1390 CA GLY A 108 24.001 10.876 -2.075 1.00 0.00 C ATOM 1391 C GLY A 108 22.735 11.409 -1.417 1.00 0.00 C ATOM 1392 O GLY A 108 22.395 11.023 -0.298 1.00 0.00 O ATOM 0 H GLY A 108 23.825 11.408 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 108 23.857 9.832 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 108 24.825 10.904 -1.362 1.00 0.00 H new ATOM 1396 N ILE A 109 22.039 12.299 -2.117 1.00 0.00 N ATOM 1397 CA ILE A 109 20.843 12.934 -1.576 1.00 0.00 C ATOM 1398 C ILE A 109 19.583 12.371 -2.220 1.00 0.00 C ATOM 1399 O ILE A 109 19.179 12.804 -3.299 1.00 0.00 O ATOM 1400 CB ILE A 109 20.889 14.459 -1.782 1.00 0.00 C ATOM 1401 CG1 ILE A 109 22.175 15.039 -1.188 1.00 0.00 C ATOM 1402 CG2 ILE A 109 19.667 15.117 -1.160 1.00 0.00 C ATOM 1403 CD1 ILE A 109 22.328 14.793 0.296 1.00 0.00 C ATOM 0 H ILE A 109 22.283 12.597 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 109 20.817 12.720 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 109 20.881 14.665 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 109 23.031 14.608 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 109 22.197 16.113 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 109 19.716 16.195 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 109 18.764 14.724 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 109 19.644 14.905 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 109 23.263 15.233 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 109 21.493 15.248 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 109 22.339 13.720 0.488 1.00 0.00 H new ATOM 1415 N THR A 110 18.964 11.404 -1.552 1.00 0.00 N ATOM 1416 CA THR A 110 17.696 10.846 -2.009 1.00 0.00 C ATOM 1417 C THR A 110 17.730 10.553 -3.503 1.00 0.00 C ATOM 1418 O THR A 110 18.694 9.980 -4.011 1.00 0.00 O ATOM 1419 CB THR A 110 16.527 11.798 -1.695 1.00 0.00 C ATOM 1420 OG1 THR A 110 16.642 12.981 -2.496 1.00 0.00 O ATOM 1421 CG2 THR A 110 16.534 12.184 -0.223 1.00 0.00 C ATOM 0 H THR A 110 19.320 10.989 -0.691 1.00 0.00 H new ATOM 0 HA THR A 110 17.543 9.910 -1.472 1.00 0.00 H new ATOM 0 HB THR A 110 15.591 11.287 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 110 17.405 12.891 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 110 15.701 12.857 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.434 11.287 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.472 12.684 0.017 1.00 0.00 H new ATOM 1429 N GLY A 111 16.673 10.950 -4.203 1.00 0.00 N ATOM 1430 CA GLY A 111 16.552 10.678 -5.630 1.00 0.00 C ATOM 1431 C GLY A 111 15.114 10.347 -6.008 1.00 0.00 C ATOM 1432 O GLY A 111 14.176 10.712 -5.300 1.00 0.00 O ATOM 0 H GLY A 111 15.886 11.462 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.890 11.545 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.203 9.846 -5.901 1.00 0.00 H new ATOM 1436 N ASN A 112 14.947 9.654 -7.130 1.00 0.00 N ATOM 1437 CA ASN A 112 13.628 9.222 -7.574 1.00 0.00 C ATOM 1438 C ASN A 112 13.714 7.940 -8.392 1.00 0.00 C ATOM 1439 O ASN A 112 14.788 7.355 -8.536 1.00 0.00 O ATOM 1440 CB ASN A 112 12.947 10.319 -8.371 1.00 0.00 C ATOM 1441 CG ASN A 112 13.691 10.664 -9.631 1.00 0.00 C ATOM 1442 OD1 ASN A 112 14.364 9.813 -10.223 1.00 0.00 O ATOM 1443 ND2 ASN A 112 13.583 11.898 -10.053 1.00 0.00 N ATOM 0 H ASN A 112 15.710 9.380 -7.749 1.00 0.00 H new ATOM 0 HA ASN A 112 13.028 9.014 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 112 11.935 10.004 -8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 112 12.856 11.211 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 112 14.066 12.190 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.016 12.567 -9.532 1.00 0.00 H new ATOM 1450 N LYS A 113 12.577 7.506 -8.926 1.00 0.00 N ATOM 1451 CA LYS A 113 12.505 6.247 -9.656 1.00 0.00 C ATOM 1452 C LYS A 113 13.513 6.214 -10.798 1.00 0.00 C ATOM 1453 O LYS A 113 14.073 5.164 -11.114 1.00 0.00 O ATOM 1454 CB LYS A 113 11.092 6.020 -10.195 1.00 0.00 C ATOM 1455 CG LYS A 113 10.888 4.677 -10.882 1.00 0.00 C ATOM 1456 CD LYS A 113 10.780 3.548 -9.868 1.00 0.00 C ATOM 1457 CE LYS A 113 10.785 2.188 -10.549 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.438 1.091 -9.605 1.00 0.00 N1+ ATOM 0 H LYS A 113 11.692 8.009 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 113 12.751 5.444 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.384 6.103 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.854 6.815 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.984 4.711 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.720 4.482 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.611 3.608 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.864 3.663 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.074 2.194 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.770 2.000 -10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.914 0.215 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.748 1.347 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.409 0.943 -9.608 1.00 0.00 H new ATOM 1472 N ASN A 114 13.739 7.369 -11.414 1.00 0.00 N ATOM 1473 CA ASN A 114 14.739 7.492 -12.469 1.00 0.00 C ATOM 1474 C ASN A 114 16.149 7.365 -11.908 1.00 0.00 C ATOM 1475 O ASN A 114 16.804 8.366 -11.617 1.00 0.00 O ATOM 1476 CB ASN A 114 14.575 8.806 -13.210 1.00 0.00 C ATOM 1477 CG ASN A 114 15.508 8.929 -14.382 1.00 0.00 C ATOM 1478 OD1 ASN A 114 16.517 8.219 -14.465 1.00 0.00 O ATOM 1479 ND2 ASN A 114 15.191 9.816 -15.290 1.00 0.00 N ATOM 0 H ASN A 114 13.243 8.234 -11.201 1.00 0.00 H new ATOM 0 HA ASN A 114 14.584 6.676 -13.174 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.546 8.896 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.752 9.632 -12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 114 15.787 9.944 -16.108 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.348 10.380 -15.180 1.00 0.00 H new ATOM 1486 N ASN A 115 16.612 6.129 -11.757 1.00 0.00 N ATOM 1487 CA ASN A 115 17.931 5.868 -11.194 1.00 0.00 C ATOM 1488 C ASN A 115 18.422 4.474 -11.562 1.00 0.00 C ATOM 1489 O ASN A 115 17.895 3.472 -11.079 1.00 0.00 O ATOM 1490 CB ASN A 115 17.913 6.046 -9.686 1.00 0.00 C ATOM 1491 CG ASN A 115 19.282 5.941 -9.075 1.00 0.00 C ATOM 1492 OD1 ASN A 115 20.219 5.435 -9.704 1.00 0.00 O ATOM 1493 ND2 ASN A 115 19.417 6.409 -7.861 1.00 0.00 N ATOM 0 H ASN A 115 16.092 5.291 -12.017 1.00 0.00 H new ATOM 0 HA ASN A 115 18.626 6.591 -11.621 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.485 7.019 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.263 5.292 -9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 115 20.323 6.365 -7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 115 18.616 6.818 -7.380 1.00 0.00 H new ATOM 1500 N PHE A 116 19.433 4.416 -12.422 1.00 0.00 N ATOM 1501 CA PHE A 116 19.828 3.165 -13.058 1.00 0.00 C ATOM 1502 C PHE A 116 21.257 2.786 -12.690 1.00 0.00 C ATOM 1503 O PHE A 116 22.082 3.651 -12.393 1.00 0.00 O ATOM 1504 CB PHE A 116 19.700 3.274 -14.578 1.00 0.00 C ATOM 1505 CG PHE A 116 18.339 3.710 -15.041 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.124 5.006 -15.486 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.271 2.826 -15.033 1.00 0.00 C ATOM 1508 CE1 PHE A 116 16.872 5.408 -15.912 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.019 3.224 -15.460 1.00 0.00 C ATOM 1510 CZ PHE A 116 15.820 4.517 -15.900 1.00 0.00 C ATOM 0 H PHE A 116 19.995 5.222 -12.695 1.00 0.00 H new ATOM 0 HA PHE A 116 19.159 2.385 -12.695 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.443 3.982 -14.946 1.00 0.00 H new ATOM 0 HB3 PHE A 116 19.933 2.307 -15.023 1.00 0.00 H new ATOM 0 HD1 PHE A 116 18.944 5.709 -15.500 1.00 0.00 H new ATOM 0 HD2 PHE A 116 17.420 1.813 -14.689 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.718 6.421 -16.254 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.197 2.524 -15.450 1.00 0.00 H new ATOM 0 HZ PHE A 116 14.842 4.830 -16.234 1.00 0.00 H new ATOM 1520 N GLU A 117 21.545 1.489 -12.711 1.00 0.00 N ATOM 1521 CA GLU A 117 22.884 0.997 -12.414 1.00 0.00 C ATOM 1522 C GLU A 117 23.760 0.998 -13.661 1.00 0.00 C ATOM 1523 O GLU A 117 24.981 1.130 -13.574 1.00 0.00 O ATOM 1524 CB GLU A 117 22.816 -0.416 -11.829 1.00 0.00 C ATOM 1525 CG GLU A 117 22.170 -0.495 -10.453 1.00 0.00 C ATOM 1526 CD GLU A 117 23.022 0.107 -9.371 1.00 0.00 C ATOM 1527 OE1 GLU A 117 24.223 0.043 -9.482 1.00 0.00 O ATOM 1528 OE2 GLU A 117 22.472 0.632 -8.432 1.00 0.00 O1- ATOM 0 H GLU A 117 20.867 0.759 -12.931 1.00 0.00 H new ATOM 0 HA GLU A 117 23.330 1.668 -11.680 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.260 -1.054 -12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 117 23.827 -0.820 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 117 21.208 0.018 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 117 21.968 -1.539 -10.211 1.00 0.00 H new ATOM 1535 N SER A 118 23.129 0.852 -14.821 1.00 0.00 N ATOM 1536 CA SER A 118 23.857 0.711 -16.077 1.00 0.00 C ATOM 1537 C SER A 118 23.115 1.387 -17.222 1.00 0.00 C ATOM 1538 O SER A 118 21.906 1.610 -17.146 1.00 0.00 O ATOM 1539 CB SER A 118 24.069 -0.756 -16.396 1.00 0.00 C ATOM 1540 OG SER A 118 22.850 -1.392 -16.667 1.00 0.00 O ATOM 0 H SER A 118 22.114 0.828 -14.918 1.00 0.00 H new ATOM 0 HA SER A 118 24.825 1.199 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.733 -0.853 -17.255 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.561 -1.247 -15.556 1.00 0.00 H new ATOM 0 HG SER A 118 23.012 -2.337 -16.872 1.00 0.00 H new ATOM 1546 N GLU A 119 23.845 1.713 -18.283 1.00 0.00 N ATOM 1547 CA GLU A 119 23.242 2.275 -19.485 1.00 0.00 C ATOM 1548 C GLU A 119 22.223 1.318 -20.090 1.00 0.00 C ATOM 1549 O GLU A 119 21.136 1.728 -20.497 1.00 0.00 O ATOM 1550 CB GLU A 119 24.321 2.607 -20.519 1.00 0.00 C ATOM 1551 CG GLU A 119 23.792 3.239 -21.799 1.00 0.00 C ATOM 1552 CD GLU A 119 24.880 3.555 -22.787 1.00 0.00 C ATOM 1553 OE1 GLU A 119 26.029 3.446 -22.433 1.00 0.00 O ATOM 1554 OE2 GLU A 119 24.561 3.906 -23.899 1.00 0.00 O1- ATOM 0 H GLU A 119 24.857 1.597 -18.335 1.00 0.00 H new ATOM 0 HA GLU A 119 22.725 3.191 -19.200 1.00 0.00 H new ATOM 0 HB2 GLU A 119 25.045 3.284 -20.066 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.856 1.692 -20.774 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.073 2.563 -22.262 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.255 4.155 -21.551 1.00 0.00 H new ATOM 1561 N GLU A 120 22.581 0.039 -20.147 1.00 0.00 N ATOM 1562 CA GLU A 120 21.680 -0.987 -20.658 1.00 0.00 C ATOM 1563 C GLU A 120 20.350 -0.971 -19.916 1.00 0.00 C ATOM 1564 O GLU A 120 19.285 -0.940 -20.533 1.00 0.00 O ATOM 1565 CB GLU A 120 22.324 -2.370 -20.539 1.00 0.00 C ATOM 1566 CG GLU A 120 21.469 -3.510 -21.073 1.00 0.00 C ATOM 1567 CD GLU A 120 22.142 -4.849 -20.960 1.00 0.00 C ATOM 1568 OE1 GLU A 120 23.256 -4.895 -20.496 1.00 0.00 O ATOM 1569 OE2 GLU A 120 21.542 -5.827 -21.338 1.00 0.00 O1- ATOM 0 H GLU A 120 23.490 -0.311 -19.845 1.00 0.00 H new ATOM 0 HA GLU A 120 21.490 -0.769 -21.709 1.00 0.00 H new ATOM 0 HB2 GLU A 120 23.273 -2.362 -21.074 1.00 0.00 H new ATOM 0 HB3 GLU A 120 22.551 -2.563 -19.490 1.00 0.00 H new ATOM 0 HG2 GLU A 120 20.526 -3.536 -20.528 1.00 0.00 H new ATOM 0 HG3 GLU A 120 21.228 -3.317 -22.118 1.00 0.00 H new ATOM 1576 N GLU A 121 20.417 -0.992 -18.589 1.00 0.00 N ATOM 1577 CA GLU A 121 19.220 -0.929 -17.760 1.00 0.00 C ATOM 1578 C GLU A 121 18.367 0.283 -18.115 1.00 0.00 C ATOM 1579 O GLU A 121 17.163 0.162 -18.338 1.00 0.00 O ATOM 1580 CB GLU A 121 19.599 -0.881 -16.278 1.00 0.00 C ATOM 1581 CG GLU A 121 18.413 -0.879 -15.325 1.00 0.00 C ATOM 1582 CD GLU A 121 18.820 -0.742 -13.884 1.00 0.00 C ATOM 1583 OE1 GLU A 121 19.990 -0.593 -13.629 1.00 0.00 O ATOM 1584 OE2 GLU A 121 17.958 -0.786 -13.038 1.00 0.00 O1- ATOM 0 H GLU A 121 21.290 -1.052 -18.064 1.00 0.00 H new ATOM 0 HA GLU A 121 18.635 -1.829 -17.951 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.232 -1.739 -16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 121 20.196 0.013 -16.097 1.00 0.00 H new ATOM 0 HG2 GLU A 121 17.744 -0.060 -15.588 1.00 0.00 H new ATOM 0 HG3 GLU A 121 17.850 -1.804 -15.452 1.00 0.00 H new ATOM 1591 N CYS A 122 19.000 1.450 -18.165 1.00 0.00 N ATOM 1592 CA CYS A 122 18.305 2.683 -18.517 1.00 0.00 C ATOM 1593 C CYS A 122 17.502 2.515 -19.801 1.00 0.00 C ATOM 1594 O CYS A 122 16.293 2.745 -19.822 1.00 0.00 O ATOM 1595 CB CYS A 122 19.300 3.831 -18.691 1.00 0.00 C ATOM 1596 SG CYS A 122 18.539 5.405 -19.154 1.00 0.00 S ATOM 0 H CYS A 122 19.993 1.568 -17.966 1.00 0.00 H new ATOM 0 HA CYS A 122 17.621 2.917 -17.702 1.00 0.00 H new ATOM 0 HB2 CYS A 122 19.849 3.966 -17.759 1.00 0.00 H new ATOM 0 HB3 CYS A 122 20.028 3.554 -19.453 1.00 0.00 H new ATOM 1601 N LYS A 123 18.181 2.114 -20.870 1.00 0.00 N ATOM 1602 CA LYS A 123 17.569 2.062 -22.192 1.00 0.00 C ATOM 1603 C LYS A 123 16.466 1.013 -22.247 1.00 0.00 C ATOM 1604 O LYS A 123 15.417 1.232 -22.854 1.00 0.00 O ATOM 1605 CB LYS A 123 18.624 1.772 -23.260 1.00 0.00 C ATOM 1606 CG LYS A 123 19.587 2.923 -23.522 1.00 0.00 C ATOM 1607 CD LYS A 123 20.630 2.546 -24.563 1.00 0.00 C ATOM 1608 CE LYS A 123 21.545 3.719 -24.882 1.00 0.00 C ATOM 1609 NZ LYS A 123 22.633 3.336 -25.823 1.00 0.00 N1+ ATOM 0 H LYS A 123 19.157 1.820 -20.846 1.00 0.00 H new ATOM 0 HA LYS A 123 17.123 3.036 -22.391 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.198 0.896 -22.958 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.120 1.517 -24.192 1.00 0.00 H new ATOM 0 HG2 LYS A 123 19.030 3.796 -23.862 1.00 0.00 H new ATOM 0 HG3 LYS A 123 20.083 3.204 -22.593 1.00 0.00 H new ATOM 0 HD2 LYS A 123 21.224 1.708 -24.198 1.00 0.00 H new ATOM 0 HD3 LYS A 123 20.133 2.212 -25.474 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.959 4.529 -25.316 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.981 4.100 -23.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 23.555 3.465 -25.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.520 2.339 -26.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.585 3.936 -26.671 1.00 0.00 H new ATOM 1623 N GLU A 124 16.708 -0.128 -21.611 1.00 0.00 N ATOM 1624 CA GLU A 124 15.790 -1.257 -21.685 1.00 0.00 C ATOM 1625 C GLU A 124 14.507 -0.976 -20.914 1.00 0.00 C ATOM 1626 O GLU A 124 13.421 -1.383 -21.327 1.00 0.00 O ATOM 1627 CB GLU A 124 16.456 -2.523 -21.141 1.00 0.00 C ATOM 1628 CG GLU A 124 17.555 -3.087 -22.030 1.00 0.00 C ATOM 1629 CD GLU A 124 17.065 -3.461 -23.401 1.00 0.00 C ATOM 1630 OE1 GLU A 124 16.089 -4.167 -23.490 1.00 0.00 O ATOM 1631 OE2 GLU A 124 17.666 -3.039 -24.361 1.00 0.00 O1- ATOM 0 H GLU A 124 17.535 -0.295 -21.037 1.00 0.00 H new ATOM 0 HA GLU A 124 15.534 -1.409 -22.734 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.876 -2.305 -20.159 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.693 -3.288 -20.998 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.353 -2.351 -22.123 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.987 -3.966 -21.552 1.00 0.00 H new ATOM 1638 N THR A 125 14.638 -0.277 -19.792 1.00 0.00 N ATOM 1639 CA THR A 125 13.484 0.103 -18.986 1.00 0.00 C ATOM 1640 C THR A 125 12.675 1.201 -19.666 1.00 0.00 C ATOM 1641 O THR A 125 11.473 1.333 -19.436 1.00 0.00 O ATOM 1642 CB THR A 125 13.916 0.572 -17.584 1.00 0.00 C ATOM 1643 OG1 THR A 125 14.868 1.637 -17.706 1.00 0.00 O ATOM 1644 CG2 THR A 125 14.542 -0.577 -16.808 1.00 0.00 C ATOM 0 H THR A 125 15.534 0.038 -19.420 1.00 0.00 H new ATOM 0 HA THR A 125 12.857 -0.783 -18.883 1.00 0.00 H new ATOM 0 HB THR A 125 13.035 0.923 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.753 1.264 -17.899 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.842 -0.228 -15.820 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.816 -1.384 -16.704 1.00 0.00 H new ATOM 0 HG23 THR A 125 15.417 -0.944 -17.344 1.00 0.00 H new ATOM 1652 N CYS A 126 13.342 1.987 -20.504 1.00 0.00 N ATOM 1653 CA CYS A 126 12.658 2.949 -21.361 1.00 0.00 C ATOM 1654 C CYS A 126 11.893 2.247 -22.475 1.00 0.00 C ATOM 1655 O CYS A 126 10.820 2.693 -22.881 1.00 0.00 O ATOM 1656 CB CYS A 126 13.658 3.929 -21.975 1.00 0.00 C ATOM 1657 SG CYS A 126 14.403 5.067 -20.783 1.00 0.00 S ATOM 0 H CYS A 126 14.357 1.977 -20.608 1.00 0.00 H new ATOM 0 HA CYS A 126 11.950 3.496 -20.739 1.00 0.00 H new ATOM 0 HB2 CYS A 126 14.450 3.363 -22.465 1.00 0.00 H new ATOM 0 HB3 CYS A 126 13.154 4.509 -22.749 1.00 0.00 H new ATOM 1662 N LYS A 127 12.452 1.146 -22.967 1.00 0.00 N ATOM 1663 CA LYS A 127 11.745 0.281 -23.904 1.00 0.00 C ATOM 1664 C LYS A 127 10.518 -0.347 -23.255 1.00 0.00 C ATOM 1665 O LYS A 127 9.505 -0.579 -23.915 1.00 0.00 O ATOM 1666 CB LYS A 127 12.677 -0.810 -24.434 1.00 0.00 C ATOM 1667 CG LYS A 127 13.786 -0.302 -25.345 1.00 0.00 C ATOM 1668 CD LYS A 127 14.720 -1.429 -25.760 1.00 0.00 C ATOM 1669 CE LYS A 127 15.907 -0.902 -26.552 1.00 0.00 C ATOM 1670 NZ LYS A 127 16.873 -1.982 -26.893 1.00 0.00 N1+ ATOM 0 H LYS A 127 13.393 0.832 -22.732 1.00 0.00 H new ATOM 0 HA LYS A 127 11.411 0.897 -24.739 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.128 -1.329 -23.588 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.084 -1.544 -24.979 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.349 0.157 -26.232 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.354 0.474 -24.832 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.076 -1.954 -24.873 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.172 -2.155 -26.361 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.551 -0.431 -27.468 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.415 -0.130 -25.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.675 -1.578 -27.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.220 -2.426 -26.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 16.400 -2.698 -27.481 1.00 0.00 H new ATOM 1684 N GLY A 128 10.616 -0.622 -21.959 1.00 0.00 N ATOM 1685 CA GLY A 128 9.499 -1.181 -21.208 1.00 0.00 C ATOM 1686 C GLY A 128 9.877 -2.508 -20.563 1.00 0.00 C ATOM 1687 O GLY A 128 9.044 -3.405 -20.431 1.00 0.00 O ATOM 0 H GLY A 128 11.459 -0.466 -21.406 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.186 -0.476 -20.438 1.00 0.00 H new ATOM 0 HA3 GLY A 128 8.647 -1.326 -21.872 1.00 0.00 H new ATOM 1691 N PHE A 129 11.139 -2.628 -20.164 1.00 0.00 N ATOM 1692 CA PHE A 129 11.609 -3.810 -19.452 1.00 0.00 C ATOM 1693 C PHE A 129 11.017 -3.881 -18.051 1.00 0.00 C ATOM 1694 O PHE A 129 11.096 -2.921 -17.284 1.00 0.00 O ATOM 1695 CB PHE A 129 13.136 -3.811 -19.367 1.00 0.00 C ATOM 1696 CG PHE A 129 13.703 -5.010 -18.661 1.00 0.00 C ATOM 1697 CD1 PHE A 129 13.772 -6.240 -19.298 1.00 0.00 C ATOM 1698 CD2 PHE A 129 14.167 -4.910 -17.358 1.00 0.00 C ATOM 1699 CE1 PHE A 129 14.293 -7.343 -18.649 1.00 0.00 C ATOM 1700 CE2 PHE A 129 14.689 -6.011 -16.707 1.00 0.00 C ATOM 1701 CZ PHE A 129 14.752 -7.229 -17.354 1.00 0.00 C ATOM 0 H PHE A 129 11.855 -1.919 -20.322 1.00 0.00 H new ATOM 0 HA PHE A 129 11.280 -4.686 -20.011 1.00 0.00 H new ATOM 0 HB2 PHE A 129 13.547 -3.767 -20.376 1.00 0.00 H new ATOM 0 HB3 PHE A 129 13.462 -2.909 -18.850 1.00 0.00 H new ATOM 0 HD1 PHE A 129 13.415 -6.337 -20.313 1.00 0.00 H new ATOM 0 HD2 PHE A 129 14.120 -3.960 -16.846 1.00 0.00 H new ATOM 0 HE1 PHE A 129 14.341 -8.295 -19.157 1.00 0.00 H new ATOM 0 HE2 PHE A 129 15.048 -5.919 -15.692 1.00 0.00 H new ATOM 0 HZ PHE A 129 15.160 -8.091 -16.847 1.00 0.00 H new