USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 93 TYR OH : rot 180:sc= -0.234 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.327 K(o=0.094,f=-15!) USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -1.31 F(o=-2.5!,f=-1.3) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.0315 X(o=-1.3,f=-1.8) USER MOD Set 3.1: A 35 SER OG : rot 41:sc= 1.09 USER MOD Set 3.2: A 56 ASN : amide:sc= 0.376 K(o=1.5,f=-11!) USER MOD Set 4.1: A 29 GLN : amide:sc= 0.931 K(o=2.1,f=-8.7!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ 175:sc= 1.15 (180deg=0) USER MOD Set 5.1: A 33 HIS : no HE2:sc= 1.01 K(o=3.4,f=-3.5) USER MOD Set 5.2: A 46 GLN : amide:sc= 2.39 K(o=3.4,f=-0.48) USER MOD Set 6.1: A 14 SER OG : rot 123:sc= 0.804 USER MOD Set 6.2: A 67 SER OG : rot 84:sc= 1.85 USER MOD Single : A 17 SER OG : rot -107:sc= 0.0812 USER MOD Single : A 25 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 28 SER OG : rot 180:sc= 0.104 USER MOD Single : A 32 THR OG1 : rot 160:sc= 1.23 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.116 K(o=-0.12,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -172:sc= 0.225 USER MOD Single : A 42 GLN : amide:sc= 0.263 K(o=0.26,f=-0.86) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0728 K(o=-0.073,f=-1.8!) USER MOD Single : A 69 ASN : amide:sc= -0.0992 K(o=-0.099,f=-6.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -78:sc= 1.16 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 97 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.4!) USER MOD Single : A 98 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -165:sc= 0 (180deg=-0.148) USER MOD Single : A 105 THR OG1 : rot 39:sc= 0.599 USER MOD Single : A 106 TYR OH : rot -14:sc= 1.27 USER MOD Single : A 110 THR OG1 : rot 11:sc= 0.247 USER MOD Single : A 112 ASN : amide:sc= -0.276 K(o=-0.28,f=-6.5!) USER MOD Single : A 113 LYS NZ :NH3+ -169:sc= 2.5 (180deg=2.33) USER MOD Single : A 114 ASN : amide:sc= 0.929 K(o=0.93,f=-10!) USER MOD Single : A 118 SER OG : rot 180:sc= -0.229 USER MOD Single : A 123 LYS NZ :NH3+ 177:sc= 1.02 (180deg=1.02) USER MOD Single : A 125 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 127 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.09) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 13 1.458 0.000 0.000 1.00 0.00 C ATOM 3 C GLU A 13 2.009 1.420 0.000 1.00 0.00 C ATOM 4 O GLU A 13 1.377 2.341 -0.517 1.00 0.00 O ATOM 5 CB GLU A 13 1.991 -0.764 -1.214 1.00 0.00 C ATOM 6 CG GLU A 13 1.661 -2.250 -1.216 1.00 0.00 C ATOM 7 CD GLU A 13 2.196 -2.966 -2.425 1.00 0.00 C ATOM 8 OE1 GLU A 13 2.123 -2.417 -3.498 1.00 0.00 O ATOM 9 OE2 GLU A 13 2.678 -4.065 -2.275 1.00 0.00 O1- ATOM 0 HA GLU A 13 1.791 -0.497 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.585 -0.313 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.074 -0.645 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.071 -2.709 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.579 -2.377 -1.174 1.00 0.00 H new ATOM 16 N SER A 14 3.190 1.591 0.583 1.00 0.00 N ATOM 17 CA SER A 14 3.684 2.916 0.939 1.00 0.00 C ATOM 18 C SER A 14 4.054 3.718 -0.302 1.00 0.00 C ATOM 19 O SER A 14 4.018 4.948 -0.291 1.00 0.00 O ATOM 20 CB SER A 14 4.889 2.796 1.852 1.00 0.00 C ATOM 21 OG SER A 14 5.983 2.247 1.169 1.00 0.00 O ATOM 0 H SER A 14 3.824 0.828 0.819 1.00 0.00 H new ATOM 0 HA SER A 14 2.885 3.443 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.154 3.779 2.241 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.640 2.171 2.709 1.00 0.00 H new ATOM 0 HG SER A 14 6.742 2.865 1.216 1.00 0.00 H new ATOM 27 N TRP A 15 4.409 3.014 -1.371 1.00 0.00 N ATOM 28 CA TRP A 15 4.850 3.659 -2.602 1.00 0.00 C ATOM 29 C TRP A 15 3.738 4.504 -3.210 1.00 0.00 C ATOM 30 O TRP A 15 3.997 5.413 -3.999 1.00 0.00 O ATOM 31 CB TRP A 15 5.314 2.613 -3.616 1.00 0.00 C ATOM 32 CG TRP A 15 4.204 1.751 -4.138 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.866 0.505 -3.702 1.00 0.00 C ATOM 34 CD2 TRP A 15 3.274 2.070 -5.201 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.796 0.028 -4.418 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.420 0.973 -5.339 1.00 0.00 C ATOM 37 CE3 TRP A 15 3.101 3.183 -6.034 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.403 0.949 -6.279 1.00 0.00 C ATOM 39 CZ3 TRP A 15 2.080 3.159 -6.976 1.00 0.00 C ATOM 40 CH2 TRP A 15 1.252 2.071 -7.095 1.00 0.00 C ATOM 0 H TRP A 15 4.400 1.995 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 15 5.685 4.314 -2.352 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.795 3.119 -4.453 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.068 1.978 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.367 -0.030 -2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.353 -0.881 -4.287 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.749 4.043 -5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.751 0.094 -6.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.936 4.010 -7.625 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.467 2.083 -7.836 1.00 0.00 H new ATOM 51 N VAL A 16 2.500 4.198 -2.839 1.00 0.00 N ATOM 52 CA VAL A 16 1.346 4.936 -3.340 1.00 0.00 C ATOM 53 C VAL A 16 1.384 6.390 -2.889 1.00 0.00 C ATOM 54 O VAL A 16 0.905 7.281 -3.590 1.00 0.00 O ATOM 55 CB VAL A 16 0.040 4.283 -2.848 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.158 5.146 -3.216 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.097 2.889 -3.441 1.00 0.00 C ATOM 0 H VAL A 16 2.269 3.443 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 16 1.382 4.908 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 16 0.074 4.198 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.072 4.670 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.056 6.127 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.205 5.260 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.022 2.433 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.117 2.957 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.750 2.277 -3.131 1.00 0.00 H new ATOM 67 N SER A 17 1.957 6.625 -1.713 1.00 0.00 N ATOM 68 CA SER A 17 1.977 7.958 -1.123 1.00 0.00 C ATOM 69 C SER A 17 2.835 8.912 -1.944 1.00 0.00 C ATOM 70 O SER A 17 2.725 10.131 -1.812 1.00 0.00 O ATOM 71 CB SER A 17 2.499 7.891 0.299 1.00 0.00 C ATOM 72 OG SER A 17 1.606 7.201 1.130 1.00 0.00 O ATOM 0 H SER A 17 2.414 5.908 -1.149 1.00 0.00 H new ATOM 0 HA SER A 17 0.955 8.338 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.470 7.395 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.652 8.900 0.682 1.00 0.00 H new ATOM 0 HG SER A 17 1.148 7.837 1.718 1.00 0.00 H new ATOM 78 N CYS A 18 3.689 8.349 -2.792 1.00 0.00 N ATOM 79 CA CYS A 18 4.557 9.149 -3.648 1.00 0.00 C ATOM 80 C CYS A 18 3.782 9.745 -4.816 1.00 0.00 C ATOM 81 O CYS A 18 4.258 10.660 -5.488 1.00 0.00 O ATOM 82 CB CYS A 18 5.709 8.301 -4.188 1.00 0.00 C ATOM 83 SG CYS A 18 6.872 7.742 -2.921 1.00 0.00 S ATOM 0 H CYS A 18 3.799 7.341 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 18 4.957 9.961 -3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.297 7.430 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.253 8.879 -4.935 1.00 0.00 H new ATOM 88 N LEU A 19 2.584 9.222 -5.053 1.00 0.00 N ATOM 89 CA LEU A 19 1.710 9.748 -6.095 1.00 0.00 C ATOM 90 C LEU A 19 0.545 10.526 -5.496 1.00 0.00 C ATOM 91 O LEU A 19 -0.088 11.334 -6.175 1.00 0.00 O ATOM 92 CB LEU A 19 1.175 8.605 -6.966 1.00 0.00 C ATOM 93 CG LEU A 19 2.237 7.768 -7.691 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.559 6.644 -8.463 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.042 8.663 -8.621 1.00 0.00 C ATOM 0 H LEU A 19 2.195 8.433 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 19 2.297 10.428 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.582 7.941 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.500 9.026 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 19 2.919 7.324 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.314 6.050 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.007 6.009 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.871 7.068 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.796 8.068 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.376 9.118 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.531 9.445 -8.040 1.00 0.00 H new ATOM 107 N ASP A 20 0.268 10.278 -4.221 1.00 0.00 N ATOM 108 CA ASP A 20 -0.801 10.978 -3.519 1.00 0.00 C ATOM 109 C ASP A 20 -0.493 12.464 -3.387 1.00 0.00 C ATOM 110 O ASP A 20 0.665 12.876 -3.452 1.00 0.00 O ATOM 111 CB ASP A 20 -1.019 10.371 -2.131 1.00 0.00 C ATOM 112 CG ASP A 20 -1.693 9.006 -2.180 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.271 8.687 -3.192 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.622 8.296 -1.205 1.00 0.00 O1- ATOM 0 H ASP A 20 0.770 9.596 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.712 10.865 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.058 10.278 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.628 11.050 -1.535 1.00 0.00 H new ATOM 119 N PRO A 21 -1.537 13.265 -3.202 1.00 0.00 N ATOM 120 CA PRO A 21 -1.378 14.705 -3.038 1.00 0.00 C ATOM 121 C PRO A 21 -0.400 15.027 -1.915 1.00 0.00 C ATOM 122 O PRO A 21 -0.418 14.391 -0.862 1.00 0.00 O ATOM 123 CB PRO A 21 -2.797 15.173 -2.703 1.00 0.00 C ATOM 124 CG PRO A 21 -3.679 14.172 -3.368 1.00 0.00 C ATOM 125 CD PRO A 21 -2.961 12.861 -3.186 1.00 0.00 C ATOM 0 HA PRO A 21 -0.966 15.197 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.964 15.198 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.983 16.179 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.669 14.150 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.819 14.405 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.234 12.377 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.192 12.158 -3.987 1.00 0.00 H new ATOM 133 N GLU A 22 0.453 16.019 -2.147 1.00 0.00 N ATOM 134 CA GLU A 22 1.508 16.359 -1.200 1.00 0.00 C ATOM 135 C GLU A 22 0.933 16.690 0.171 1.00 0.00 C ATOM 136 O GLU A 22 -0.130 17.301 0.278 1.00 0.00 O ATOM 137 CB GLU A 22 2.329 17.542 -1.718 1.00 0.00 C ATOM 138 CG GLU A 22 3.258 17.203 -2.876 1.00 0.00 C ATOM 139 CD GLU A 22 2.562 17.224 -4.209 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.386 17.497 -4.240 1.00 0.00 O ATOM 141 OE2 GLU A 22 3.208 16.967 -5.198 1.00 0.00 O1- ATOM 0 H GLU A 22 0.434 16.602 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 22 2.157 15.489 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.647 18.331 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.923 17.944 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.085 17.913 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.689 16.215 -2.712 1.00 0.00 H new ATOM 148 N GLN A 23 1.642 16.282 1.218 1.00 0.00 N ATOM 149 CA GLN A 23 1.325 16.716 2.574 1.00 0.00 C ATOM 150 C GLN A 23 1.635 18.195 2.765 1.00 0.00 C ATOM 151 O GLN A 23 2.722 18.660 2.424 1.00 0.00 O ATOM 152 CB GLN A 23 2.100 15.883 3.598 1.00 0.00 C ATOM 153 CG GLN A 23 1.957 16.367 5.031 1.00 0.00 C ATOM 154 CD GLN A 23 0.557 16.159 5.575 1.00 0.00 C ATOM 155 OE1 GLN A 23 -0.046 17.228 6.082 1.00 0.00 O flip ATOM 156 NE2 GLN A 23 0.022 15.047 5.541 1.00 0.00 N flip ATOM 0 H GLN A 23 2.441 15.651 1.154 1.00 0.00 H new ATOM 0 HA GLN A 23 0.257 16.567 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.760 14.849 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.156 15.887 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.671 15.839 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.209 17.426 5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.522 14.252 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.920 14.923 5.912 1.00 0.00 H new ATOM 165 N VAL A 24 0.673 18.930 3.313 1.00 0.00 N ATOM 166 CA VAL A 24 0.827 20.365 3.516 1.00 0.00 C ATOM 167 C VAL A 24 1.604 20.660 4.793 1.00 0.00 C ATOM 168 O VAL A 24 1.326 20.087 5.847 1.00 0.00 O ATOM 169 CB VAL A 24 -0.553 21.046 3.590 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.399 22.531 3.882 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.308 20.827 2.288 1.00 0.00 C ATOM 0 H VAL A 24 -0.223 18.554 3.625 1.00 0.00 H new ATOM 0 HA VAL A 24 1.385 20.761 2.668 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.125 20.600 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.384 22.996 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.112 22.663 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.185 22.999 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.283 21.311 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.740 21.254 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.443 19.758 2.121 1.00 0.00 H new ATOM 181 N THR A 25 2.579 21.557 4.692 1.00 0.00 N ATOM 182 CA THR A 25 3.373 21.959 5.847 1.00 0.00 C ATOM 183 C THR A 25 2.519 22.690 6.875 1.00 0.00 C ATOM 184 O THR A 25 1.600 23.428 6.520 1.00 0.00 O ATOM 185 CB THR A 25 4.553 22.853 5.425 1.00 0.00 C ATOM 186 OG1 THR A 25 5.363 23.152 6.570 1.00 0.00 O ATOM 187 CG2 THR A 25 4.047 24.151 4.814 1.00 0.00 C ATOM 0 H THR A 25 2.839 22.020 3.821 1.00 0.00 H new ATOM 0 HA THR A 25 3.766 21.049 6.301 1.00 0.00 H new ATOM 0 HB THR A 25 5.145 22.320 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.653 22.317 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.895 24.770 4.522 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.441 23.928 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.442 24.686 5.546 1.00 0.00 H new ATOM 195 N CYS A 26 2.827 22.480 8.150 1.00 0.00 N ATOM 196 CA CYS A 26 2.059 23.083 9.233 1.00 0.00 C ATOM 197 C CYS A 26 2.924 24.019 10.067 1.00 0.00 C ATOM 198 O CYS A 26 4.123 23.793 10.230 1.00 0.00 O ATOM 199 CB CYS A 26 1.468 22.002 10.139 1.00 0.00 C ATOM 200 SG CYS A 26 0.309 20.892 9.304 1.00 0.00 S ATOM 0 H CYS A 26 3.604 21.896 8.459 1.00 0.00 H new ATOM 0 HA CYS A 26 1.252 23.659 8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.281 21.411 10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.957 22.482 10.974 1.00 0.00 H new ATOM 205 N GLU A 27 2.308 25.072 10.595 1.00 0.00 N ATOM 206 CA GLU A 27 3.026 26.060 11.390 1.00 0.00 C ATOM 207 C GLU A 27 3.323 25.532 12.788 1.00 0.00 C ATOM 208 O GLU A 27 2.689 25.936 13.763 1.00 0.00 O ATOM 209 CB GLU A 27 2.219 27.357 11.485 1.00 0.00 C ATOM 210 CG GLU A 27 2.012 28.067 10.155 1.00 0.00 C ATOM 211 CD GLU A 27 1.223 29.340 10.289 1.00 0.00 C ATOM 212 OE1 GLU A 27 0.770 29.625 11.371 1.00 0.00 O ATOM 213 OE2 GLU A 27 1.074 30.028 9.307 1.00 0.00 O1- ATOM 0 H GLU A 27 1.312 25.262 10.486 1.00 0.00 H new ATOM 0 HA GLU A 27 3.974 26.263 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.245 27.133 11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.725 28.036 12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.983 28.292 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.497 27.397 9.467 1.00 0.00 H new ATOM 220 N SER A 28 4.292 24.627 12.880 1.00 0.00 N ATOM 221 CA SER A 28 4.661 24.027 14.156 1.00 0.00 C ATOM 222 C SER A 28 6.154 23.729 14.212 1.00 0.00 C ATOM 223 O SER A 28 6.757 23.336 13.213 1.00 0.00 O ATOM 224 CB SER A 28 3.873 22.752 14.382 1.00 0.00 C ATOM 225 OG SER A 28 4.268 22.120 15.568 1.00 0.00 O ATOM 0 H SER A 28 4.836 24.293 12.085 1.00 0.00 H new ATOM 0 HA SER A 28 4.424 24.742 14.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.808 22.981 14.425 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.019 22.076 13.540 1.00 0.00 H new ATOM 0 HG SER A 28 3.744 21.301 15.692 1.00 0.00 H new ATOM 231 N GLN A 29 6.746 23.917 15.387 1.00 0.00 N ATOM 232 CA GLN A 29 8.165 23.643 15.583 1.00 0.00 C ATOM 233 C GLN A 29 8.374 22.361 16.377 1.00 0.00 C ATOM 234 O GLN A 29 9.478 22.082 16.844 1.00 0.00 O ATOM 235 CB GLN A 29 8.843 24.816 16.296 1.00 0.00 C ATOM 236 CG GLN A 29 8.727 26.142 15.563 1.00 0.00 C ATOM 237 CD GLN A 29 9.389 26.110 14.199 1.00 0.00 C ATOM 238 OE1 GLN A 29 10.546 25.700 14.064 1.00 0.00 O ATOM 239 NE2 GLN A 29 8.659 26.543 13.177 1.00 0.00 N ATOM 0 H GLN A 29 6.264 24.258 16.219 1.00 0.00 H new ATOM 0 HA GLN A 29 8.618 23.514 14.600 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.407 24.924 17.289 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.898 24.581 16.434 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.674 26.398 15.447 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.182 26.928 16.166 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.707 26.873 13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.051 26.545 12.235 1.00 0.00 H new ATOM 248 N GLU A 30 7.307 21.583 16.527 1.00 0.00 N ATOM 249 CA GLU A 30 7.354 20.363 17.323 1.00 0.00 C ATOM 250 C GLU A 30 8.237 19.310 16.666 1.00 0.00 C ATOM 251 O GLU A 30 8.880 18.511 17.348 1.00 0.00 O ATOM 252 CB GLU A 30 5.944 19.804 17.527 1.00 0.00 C ATOM 253 CG GLU A 30 5.061 20.644 18.439 1.00 0.00 C ATOM 254 CD GLU A 30 3.690 20.058 18.627 1.00 0.00 C ATOM 255 OE1 GLU A 30 3.392 19.074 17.993 1.00 0.00 O ATOM 256 OE2 GLU A 30 2.938 20.595 19.407 1.00 0.00 O1- ATOM 0 H GLU A 30 6.398 21.777 16.107 1.00 0.00 H new ATOM 0 HA GLU A 30 7.783 20.615 18.293 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.459 19.712 16.555 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.021 18.799 17.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.544 20.745 19.411 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.968 21.647 18.023 1.00 0.00 H new ATOM 263 N GLY A 31 8.265 19.314 15.338 1.00 0.00 N ATOM 264 CA GLY A 31 9.084 18.370 14.586 1.00 0.00 C ATOM 265 C GLY A 31 8.893 18.549 13.085 1.00 0.00 C ATOM 266 O GLY A 31 8.253 19.502 12.640 1.00 0.00 O ATOM 0 H GLY A 31 7.729 19.961 14.759 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.134 18.512 14.841 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.822 17.351 14.870 1.00 0.00 H new ATOM 270 N THR A 32 9.451 17.626 12.309 1.00 0.00 N ATOM 271 CA THR A 32 9.376 17.702 10.855 1.00 0.00 C ATOM 272 C THR A 32 8.878 16.391 10.260 1.00 0.00 C ATOM 273 O THR A 32 8.696 15.404 10.973 1.00 0.00 O ATOM 274 CB THR A 32 10.746 18.057 10.247 1.00 0.00 C ATOM 275 OG1 THR A 32 11.669 16.986 10.482 1.00 0.00 O ATOM 276 CG2 THR A 32 11.289 19.335 10.868 1.00 0.00 C ATOM 0 H THR A 32 9.960 16.816 12.663 1.00 0.00 H new ATOM 0 HA THR A 32 8.666 18.491 10.610 1.00 0.00 H new ATOM 0 HB THR A 32 10.622 18.210 9.175 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.412 17.049 9.846 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.257 19.571 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.595 20.154 10.680 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.404 19.197 11.943 1.00 0.00 H new ATOM 284 N HIS A 33 8.658 16.387 8.950 1.00 0.00 N ATOM 285 CA HIS A 33 8.277 15.172 8.240 1.00 0.00 C ATOM 286 C HIS A 33 8.688 15.237 6.775 1.00 0.00 C ATOM 287 O HIS A 33 9.014 16.306 6.259 1.00 0.00 O ATOM 288 CB HIS A 33 6.766 14.937 8.342 1.00 0.00 C ATOM 289 CG HIS A 33 5.944 16.052 7.774 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.599 17.169 8.505 1.00 0.00 N ATOM 291 CD2 HIS A 33 5.399 16.222 6.547 1.00 0.00 C ATOM 292 CE1 HIS A 33 4.877 17.979 7.750 1.00 0.00 C ATOM 293 NE2 HIS A 33 4.741 17.427 6.559 1.00 0.00 N ATOM 0 H HIS A 33 8.737 17.213 8.357 1.00 0.00 H new ATOM 0 HA HIS A 33 8.801 14.340 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.515 14.012 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.499 14.798 9.389 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.860 17.343 9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.469 15.538 5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.468 18.931 8.056 1.00 0.00 H new ATOM 301 N ALA A 34 8.672 14.087 6.109 1.00 0.00 N ATOM 302 CA ALA A 34 9.107 13.999 4.721 1.00 0.00 C ATOM 303 C ALA A 34 7.921 13.831 3.781 1.00 0.00 C ATOM 304 O ALA A 34 6.922 13.204 4.133 1.00 0.00 O ATOM 305 CB ALA A 34 10.088 12.849 4.545 1.00 0.00 C ATOM 0 H ALA A 34 8.362 13.202 6.510 1.00 0.00 H new ATOM 0 HA ALA A 34 9.609 14.933 4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.404 12.796 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.959 13.013 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.605 11.913 4.826 1.00 0.00 H new ATOM 311 N SER A 35 8.036 14.395 2.583 1.00 0.00 N ATOM 312 CA SER A 35 7.000 14.256 1.567 1.00 0.00 C ATOM 313 C SER A 35 7.588 14.345 0.165 1.00 0.00 C ATOM 314 O SER A 35 8.506 15.127 -0.085 1.00 0.00 O ATOM 315 CB SER A 35 5.942 15.325 1.751 1.00 0.00 C ATOM 316 OG SER A 35 4.959 15.236 0.756 1.00 0.00 O ATOM 0 H SER A 35 8.838 14.954 2.292 1.00 0.00 H new ATOM 0 HA SER A 35 6.544 13.273 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.481 15.220 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.407 16.311 1.721 1.00 0.00 H new ATOM 0 HG SER A 35 4.740 14.294 0.596 1.00 0.00 H new ATOM 322 N TYR A 36 7.053 13.541 -0.748 1.00 0.00 N ATOM 323 CA TYR A 36 7.524 13.528 -2.128 1.00 0.00 C ATOM 324 C TYR A 36 6.883 14.647 -2.939 1.00 0.00 C ATOM 325 O TYR A 36 5.695 14.593 -3.257 1.00 0.00 O ATOM 326 CB TYR A 36 7.241 12.172 -2.777 1.00 0.00 C ATOM 327 CG TYR A 36 7.736 12.063 -4.202 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.065 11.753 -4.453 1.00 0.00 C ATOM 329 CD2 TYR A 36 6.862 12.272 -5.258 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.518 11.653 -5.755 1.00 0.00 C ATOM 331 CE2 TYR A 36 7.314 12.172 -6.560 1.00 0.00 C ATOM 332 CZ TYR A 36 8.636 11.864 -6.809 1.00 0.00 C ATOM 333 OH TYR A 36 9.087 11.764 -8.105 1.00 0.00 O ATOM 0 H TYR A 36 6.292 12.889 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 36 8.601 13.694 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.707 11.389 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.167 11.989 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.746 11.590 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.827 12.513 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.552 11.412 -5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.633 12.335 -7.382 1.00 0.00 H new ATOM 0 HH TYR A 36 8.347 11.939 -8.723 1.00 0.00 H new ATOM 343 N ASN A 37 7.676 15.659 -3.272 1.00 0.00 N ATOM 344 CA ASN A 37 7.179 16.808 -4.019 1.00 0.00 C ATOM 345 C ASN A 37 7.207 16.543 -5.519 1.00 0.00 C ATOM 346 O ASN A 37 8.273 16.509 -6.133 1.00 0.00 O ATOM 347 CB ASN A 37 7.981 18.052 -3.682 1.00 0.00 C ATOM 348 CG ASN A 37 7.415 19.293 -4.315 1.00 0.00 C ATOM 349 OD1 ASN A 37 6.547 19.217 -5.192 1.00 0.00 O ATOM 350 ND2 ASN A 37 7.890 20.435 -3.887 1.00 0.00 N ATOM 0 H ASN A 37 8.667 15.707 -3.036 1.00 0.00 H new ATOM 0 HA ASN A 37 6.142 16.975 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.008 18.180 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.011 17.917 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.544 21.311 -4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.606 20.449 -3.161 1.00 0.00 H new ATOM 357 N ARG A 38 6.029 16.357 -6.104 1.00 0.00 N ATOM 358 CA ARG A 38 5.922 15.936 -7.496 1.00 0.00 C ATOM 359 C ARG A 38 6.291 17.069 -8.444 1.00 0.00 C ATOM 360 O ARG A 38 6.559 16.842 -9.624 1.00 0.00 O ATOM 361 CB ARG A 38 4.511 15.459 -7.804 1.00 0.00 C ATOM 362 CG ARG A 38 4.087 14.197 -7.069 1.00 0.00 C ATOM 363 CD ARG A 38 2.643 13.908 -7.263 1.00 0.00 C ATOM 364 NE ARG A 38 1.801 14.956 -6.709 1.00 0.00 N ATOM 365 CZ ARG A 38 0.459 14.998 -6.820 1.00 0.00 C ATOM 366 NH1 ARG A 38 -0.178 14.046 -7.466 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 -0.218 15.997 -6.280 1.00 0.00 N ATOM 0 H ARG A 38 5.133 16.491 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 38 6.622 15.114 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.811 16.258 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.429 15.282 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.678 13.353 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.296 14.308 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.434 13.799 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.397 12.957 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 38 2.259 15.713 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.344 13.275 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.194 14.078 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.276 16.736 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.234 16.029 -6.364 1.00 0.00 H new ATOM 381 N LYS A 39 6.303 18.291 -7.921 1.00 0.00 N ATOM 382 CA LYS A 39 6.658 19.461 -8.716 1.00 0.00 C ATOM 383 C LYS A 39 8.162 19.531 -8.950 1.00 0.00 C ATOM 384 O LYS A 39 8.623 20.174 -9.893 1.00 0.00 O ATOM 385 CB LYS A 39 6.171 20.740 -8.033 1.00 0.00 C ATOM 386 CG LYS A 39 4.657 20.897 -7.997 1.00 0.00 C ATOM 387 CD LYS A 39 4.251 22.185 -7.298 1.00 0.00 C ATOM 388 CE LYS A 39 2.739 22.345 -7.264 1.00 0.00 C ATOM 389 NZ LYS A 39 2.326 23.584 -6.551 1.00 0.00 N1+ ATOM 0 H LYS A 39 6.071 18.497 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 39 6.167 19.369 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.550 20.759 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.601 21.599 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.265 20.894 -9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.213 20.045 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.642 22.187 -6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.697 23.036 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.354 22.368 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.294 21.479 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.288 23.655 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.671 23.552 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.729 24.413 -7.033 1.00 0.00 H new ATOM 403 N THR A 40 8.922 18.867 -8.086 1.00 0.00 N ATOM 404 CA THR A 40 10.375 18.841 -8.205 1.00 0.00 C ATOM 405 C THR A 40 10.881 17.429 -8.466 1.00 0.00 C ATOM 406 O THR A 40 12.002 17.238 -8.937 1.00 0.00 O ATOM 407 CB THR A 40 11.045 19.405 -6.939 1.00 0.00 C ATOM 408 OG1 THR A 40 10.665 18.618 -5.803 1.00 0.00 O ATOM 409 CG2 THR A 40 10.627 20.850 -6.713 1.00 0.00 C ATOM 0 H THR A 40 8.555 18.339 -7.294 1.00 0.00 H new ATOM 0 HA THR A 40 10.640 19.471 -9.054 1.00 0.00 H new ATOM 0 HB THR A 40 12.126 19.367 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.986 19.050 -4.984 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.110 21.232 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.926 21.454 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.545 20.901 -6.593 1.00 0.00 H new ATOM 417 N GLY A 41 10.048 16.440 -8.157 1.00 0.00 N ATOM 418 CA GLY A 41 10.368 15.049 -8.452 1.00 0.00 C ATOM 419 C GLY A 41 11.373 14.491 -7.453 1.00 0.00 C ATOM 420 O GLY A 41 12.286 13.751 -7.823 1.00 0.00 O ATOM 0 H GLY A 41 9.146 16.577 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.457 14.451 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.773 14.972 -9.461 1.00 0.00 H new ATOM 424 N GLN A 42 11.201 14.848 -6.185 1.00 0.00 N ATOM 425 CA GLN A 42 12.120 14.421 -5.137 1.00 0.00 C ATOM 426 C GLN A 42 11.456 14.478 -3.767 1.00 0.00 C ATOM 427 O GLN A 42 10.447 15.158 -3.583 1.00 0.00 O ATOM 428 CB GLN A 42 13.381 15.289 -5.143 1.00 0.00 C ATOM 429 CG GLN A 42 13.130 16.754 -4.831 1.00 0.00 C ATOM 430 CD GLN A 42 14.409 17.569 -4.812 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.468 17.098 -5.235 1.00 0.00 O ATOM 432 NE2 GLN A 42 14.319 18.800 -4.321 1.00 0.00 N ATOM 0 H GLN A 42 10.432 15.433 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 42 12.399 13.387 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 42 14.087 14.890 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.856 15.214 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.449 17.169 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.635 16.837 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.423 19.150 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.146 19.396 -4.283 1.00 0.00 H new ATOM 441 N CYS A 43 12.030 13.760 -2.807 1.00 0.00 N ATOM 442 CA CYS A 43 11.558 13.807 -1.429 1.00 0.00 C ATOM 443 C CYS A 43 12.140 15.005 -0.688 1.00 0.00 C ATOM 444 O CYS A 43 13.350 15.227 -0.701 1.00 0.00 O ATOM 445 CB CYS A 43 11.934 12.524 -0.687 1.00 0.00 C ATOM 446 SG CYS A 43 11.140 11.035 -1.338 1.00 0.00 S ATOM 0 H CYS A 43 12.824 13.138 -2.959 1.00 0.00 H new ATOM 0 HA CYS A 43 10.473 13.904 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.015 12.395 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.669 12.634 0.365 1.00 0.00 H new ATOM 451 N GLU A 44 11.270 15.775 -0.043 1.00 0.00 N ATOM 452 CA GLU A 44 11.684 16.997 0.635 1.00 0.00 C ATOM 453 C GLU A 44 11.195 17.020 2.077 1.00 0.00 C ATOM 454 O GLU A 44 10.102 16.542 2.380 1.00 0.00 O ATOM 455 CB GLU A 44 11.158 18.225 -0.111 1.00 0.00 C ATOM 456 CG GLU A 44 11.689 18.375 -1.530 1.00 0.00 C ATOM 457 CD GLU A 44 11.058 19.519 -2.273 1.00 0.00 C ATOM 458 OE1 GLU A 44 10.115 20.081 -1.771 1.00 0.00 O ATOM 459 OE2 GLU A 44 11.520 19.831 -3.346 1.00 0.00 O1- ATOM 0 H GLU A 44 10.272 15.574 0.024 1.00 0.00 H new ATOM 0 HA GLU A 44 12.774 17.021 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.070 18.174 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.417 19.118 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.768 18.523 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.511 17.450 -2.079 1.00 0.00 H new ATOM 466 N GLU A 45 12.012 17.577 2.965 1.00 0.00 N ATOM 467 CA GLU A 45 11.669 17.653 4.380 1.00 0.00 C ATOM 468 C GLU A 45 11.065 19.007 4.729 1.00 0.00 C ATOM 469 O GLU A 45 11.538 20.046 4.267 1.00 0.00 O ATOM 470 CB GLU A 45 12.907 17.398 5.243 1.00 0.00 C ATOM 471 CG GLU A 45 12.635 17.372 6.740 1.00 0.00 C ATOM 472 CD GLU A 45 13.868 17.097 7.554 1.00 0.00 C ATOM 473 OE1 GLU A 45 14.919 16.957 6.977 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.760 17.027 8.756 1.00 0.00 O1- ATOM 0 H GLU A 45 12.918 17.983 2.729 1.00 0.00 H new ATOM 0 HA GLU A 45 10.925 16.883 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.349 16.446 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.646 18.171 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.211 18.329 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.886 16.609 6.955 1.00 0.00 H new ATOM 481 N GLN A 46 10.018 18.989 5.546 1.00 0.00 N ATOM 482 CA GLN A 46 9.317 20.212 5.920 1.00 0.00 C ATOM 483 C GLN A 46 8.812 20.141 7.356 1.00 0.00 C ATOM 484 O GLN A 46 8.612 19.055 7.900 1.00 0.00 O ATOM 485 CB GLN A 46 8.147 20.472 4.967 1.00 0.00 C ATOM 486 CG GLN A 46 7.072 19.399 4.995 1.00 0.00 C ATOM 487 CD GLN A 46 5.998 19.628 3.948 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.195 20.385 2.993 1.00 0.00 O ATOM 489 NE2 GLN A 46 4.855 18.976 4.121 1.00 0.00 N ATOM 0 H GLN A 46 9.635 18.140 5.962 1.00 0.00 H new ATOM 0 HA GLN A 46 10.026 21.037 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.694 21.431 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.532 20.558 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.532 18.424 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.613 19.374 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.736 18.360 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.096 19.091 3.450 1.00 0.00 H new ATOM 498 N LYS A 47 8.608 21.304 7.964 1.00 0.00 N ATOM 499 CA LYS A 47 8.127 21.376 9.339 1.00 0.00 C ATOM 500 C LYS A 47 6.617 21.183 9.405 1.00 0.00 C ATOM 501 O LYS A 47 5.897 21.521 8.465 1.00 0.00 O ATOM 502 CB LYS A 47 8.515 22.712 9.973 1.00 0.00 C ATOM 503 CG LYS A 47 10.013 22.905 10.166 1.00 0.00 C ATOM 504 CD LYS A 47 10.319 24.246 10.816 1.00 0.00 C ATOM 505 CE LYS A 47 11.812 24.423 11.047 1.00 0.00 C ATOM 506 NZ LYS A 47 12.124 25.721 11.706 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.768 22.211 7.526 1.00 0.00 H new ATOM 0 HA LYS A 47 8.598 20.569 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.134 23.521 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.022 22.797 10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.409 22.100 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.517 22.843 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.949 25.052 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.791 24.320 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.183 23.605 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.336 24.366 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.140 25.765 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.871 26.503 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.579 25.802 12.588 1.00 0.00 H new ATOM 520 N GLY A 48 6.144 20.639 10.520 1.00 0.00 N ATOM 521 CA GLY A 48 4.712 20.501 10.757 1.00 0.00 C ATOM 522 C GLY A 48 4.390 19.172 11.428 1.00 0.00 C ATOM 523 O GLY A 48 5.289 18.396 11.752 1.00 0.00 O ATOM 0 H GLY A 48 6.732 20.286 11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.364 21.322 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.176 20.573 9.811 1.00 0.00 H new ATOM 527 N THR A 49 3.103 18.915 11.634 1.00 0.00 N ATOM 528 CA THR A 49 2.662 17.699 12.307 1.00 0.00 C ATOM 529 C THR A 49 1.715 16.894 11.426 1.00 0.00 C ATOM 530 O THR A 49 0.898 16.119 11.923 1.00 0.00 O ATOM 531 CB THR A 49 1.973 18.024 13.645 1.00 0.00 C ATOM 532 OG1 THR A 49 0.853 18.888 13.411 1.00 0.00 O ATOM 533 CG2 THR A 49 2.946 18.707 14.594 1.00 0.00 C ATOM 0 H THR A 49 2.346 19.534 11.344 1.00 0.00 H new ATOM 0 HA THR A 49 3.551 17.100 12.505 1.00 0.00 H new ATOM 0 HB THR A 49 1.634 17.092 14.098 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.414 19.093 14.263 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.442 18.929 15.534 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.793 18.048 14.783 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.302 19.634 14.145 1.00 0.00 H new ATOM 541 N GLU A 50 1.829 17.083 10.116 1.00 0.00 N ATOM 542 CA GLU A 50 1.005 16.351 9.161 1.00 0.00 C ATOM 543 C GLU A 50 -0.473 16.657 9.362 1.00 0.00 C ATOM 544 O GLU A 50 -1.286 15.749 9.540 1.00 0.00 O ATOM 545 CB GLU A 50 1.247 14.846 9.292 1.00 0.00 C ATOM 546 CG GLU A 50 2.683 14.414 9.029 1.00 0.00 C ATOM 547 CD GLU A 50 2.876 12.927 9.135 1.00 0.00 C ATOM 548 OE1 GLU A 50 2.007 12.270 9.657 1.00 0.00 O ATOM 549 OE2 GLU A 50 3.894 12.447 8.694 1.00 0.00 O1- ATOM 0 H GLU A 50 2.485 17.738 9.691 1.00 0.00 H new ATOM 0 HA GLU A 50 1.289 16.673 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.964 14.531 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.590 14.323 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.979 14.744 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.343 14.912 9.739 1.00 0.00 H new ATOM 556 N CYS A 51 -0.816 17.940 9.332 1.00 0.00 N ATOM 557 CA CYS A 51 -2.150 18.386 9.717 1.00 0.00 C ATOM 558 C CYS A 51 -2.886 19.006 8.536 1.00 0.00 C ATOM 559 O CYS A 51 -3.265 20.176 8.574 1.00 0.00 O ATOM 560 CB CYS A 51 -2.070 19.405 10.853 1.00 0.00 C ATOM 561 SG CYS A 51 -1.477 21.036 10.342 1.00 0.00 S ATOM 0 H CYS A 51 -0.188 18.690 9.045 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.703 17.509 10.055 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.058 19.513 11.300 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.410 19.017 11.629 1.00 0.00 H new ATOM 566 N GLY A 52 -3.084 18.215 7.487 1.00 0.00 N ATOM 567 CA GLY A 52 -3.826 18.667 6.316 1.00 0.00 C ATOM 568 C GLY A 52 -3.070 18.355 5.031 1.00 0.00 C ATOM 569 O GLY A 52 -1.848 18.497 4.967 1.00 0.00 O ATOM 0 H GLY A 52 -2.741 17.257 7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.803 18.184 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.002 19.740 6.386 1.00 0.00 H new ATOM 573 N GLY A 53 -3.803 17.929 4.007 1.00 0.00 N ATOM 574 CA GLY A 53 -3.197 17.546 2.738 1.00 0.00 C ATOM 575 C GLY A 53 -3.585 16.126 2.348 1.00 0.00 C ATOM 576 O GLY A 53 -4.621 15.616 2.776 1.00 0.00 O ATOM 0 H GLY A 53 -4.819 17.841 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.512 18.239 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.112 17.622 2.813 1.00 0.00 H new ATOM 580 N GLY A 54 -2.748 15.491 1.535 1.00 0.00 N ATOM 581 CA GLY A 54 -2.983 14.115 1.115 1.00 0.00 C ATOM 582 C GLY A 54 -2.284 13.128 2.041 1.00 0.00 C ATOM 583 O GLY A 54 -1.932 13.466 3.172 1.00 0.00 O ATOM 0 H GLY A 54 -1.899 15.908 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.054 13.913 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.624 13.977 0.095 1.00 0.00 H new ATOM 587 N GLU A 55 -2.084 11.908 1.556 1.00 0.00 N ATOM 588 CA GLU A 55 -1.385 10.883 2.322 1.00 0.00 C ATOM 589 C GLU A 55 0.100 10.860 1.985 1.00 0.00 C ATOM 590 O GLU A 55 0.826 9.956 2.397 1.00 0.00 O ATOM 591 CB GLU A 55 -2.000 9.507 2.057 1.00 0.00 C ATOM 592 CG GLU A 55 -3.454 9.374 2.485 1.00 0.00 C ATOM 593 CD GLU A 55 -3.642 9.518 3.969 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.823 9.021 4.704 1.00 0.00 O ATOM 595 OE2 GLU A 55 -4.607 10.127 4.369 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.397 11.604 0.634 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.493 11.126 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.926 9.289 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.410 8.753 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.049 10.131 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.833 8.402 2.168 1.00 0.00 H new ATOM 602 N ASN A 56 0.546 11.861 1.234 1.00 0.00 N ATOM 603 CA ASN A 56 1.942 11.945 0.821 1.00 0.00 C ATOM 604 C ASN A 56 2.823 12.453 1.955 1.00 0.00 C ATOM 605 O ASN A 56 3.245 13.609 1.957 1.00 0.00 O ATOM 606 CB ASN A 56 2.084 12.832 -0.403 1.00 0.00 C ATOM 607 CG ASN A 56 3.486 12.848 -0.945 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.458 12.725 -0.191 1.00 0.00 O ATOM 609 ND2 ASN A 56 3.610 12.997 -2.239 1.00 0.00 N ATOM 0 H ASN A 56 -0.039 12.626 0.899 1.00 0.00 H new ATOM 0 HA ASN A 56 2.275 10.940 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.402 12.485 -1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.786 13.849 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.537 13.015 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.779 13.095 -2.823 1.00 0.00 H new ATOM 616 N HIS A 57 3.098 11.581 2.920 1.00 0.00 N ATOM 617 CA HIS A 57 3.964 11.926 4.040 1.00 0.00 C ATOM 618 C HIS A 57 4.700 10.700 4.565 1.00 0.00 C ATOM 619 O HIS A 57 4.180 9.585 4.521 1.00 0.00 O ATOM 620 CB HIS A 57 3.156 12.567 5.173 1.00 0.00 C ATOM 621 CG HIS A 57 2.085 11.678 5.725 1.00 0.00 C ATOM 622 ND1 HIS A 57 2.334 10.722 6.686 1.00 0.00 N ATOM 623 CD2 HIS A 57 0.762 11.600 5.450 1.00 0.00 C ATOM 624 CE1 HIS A 57 1.209 10.094 6.980 1.00 0.00 C ATOM 625 NE2 HIS A 57 0.241 10.607 6.243 1.00 0.00 N ATOM 0 H HIS A 57 2.733 10.629 2.948 1.00 0.00 H new ATOM 0 HA HIS A 57 4.699 12.644 3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.835 12.847 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.700 13.487 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.218 12.205 4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.100 9.297 7.700 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.736 10.313 6.260 1.00 0.00 H new ATOM 633 N PHE A 58 5.914 10.913 5.062 1.00 0.00 N ATOM 634 CA PHE A 58 6.764 9.814 5.505 1.00 0.00 C ATOM 635 C PHE A 58 7.479 10.160 6.805 1.00 0.00 C ATOM 636 O PHE A 58 7.654 11.333 7.135 1.00 0.00 O ATOM 637 CB PHE A 58 7.793 9.467 4.428 1.00 0.00 C ATOM 638 CG PHE A 58 7.185 9.095 3.106 1.00 0.00 C ATOM 639 CD1 PHE A 58 6.951 10.060 2.137 1.00 0.00 C ATOM 640 CD2 PHE A 58 6.844 7.780 2.828 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.391 9.719 0.921 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.286 7.436 1.612 1.00 0.00 C ATOM 643 CZ PHE A 58 6.059 8.407 0.658 1.00 0.00 C ATOM 0 H PHE A 58 6.332 11.838 5.168 1.00 0.00 H new ATOM 0 HA PHE A 58 6.123 8.950 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.457 10.320 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.409 8.639 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.210 11.090 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.017 7.016 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.213 10.481 0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.027 6.407 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.622 8.140 -0.293 1.00 0.00 H new ATOM 653 N GLU A 59 7.890 9.132 7.540 1.00 0.00 N ATOM 654 CA GLU A 59 8.581 9.325 8.809 1.00 0.00 C ATOM 655 C GLU A 59 9.901 10.059 8.611 1.00 0.00 C ATOM 656 O GLU A 59 10.297 10.880 9.438 1.00 0.00 O ATOM 657 CB GLU A 59 8.832 7.978 9.490 1.00 0.00 C ATOM 658 CG GLU A 59 7.575 7.286 9.996 1.00 0.00 C ATOM 659 CD GLU A 59 7.839 5.899 10.515 1.00 0.00 C ATOM 660 OE1 GLU A 59 8.949 5.441 10.391 1.00 0.00 O ATOM 661 OE2 GLU A 59 6.929 5.298 11.035 1.00 0.00 O1- ATOM 0 H GLU A 59 7.756 8.155 7.278 1.00 0.00 H new ATOM 0 HA GLU A 59 7.942 9.935 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.337 7.317 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.511 8.130 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.130 7.887 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.845 7.233 9.188 1.00 0.00 H new ATOM 668 N THR A 60 10.580 9.757 7.509 1.00 0.00 N ATOM 669 CA THR A 60 11.834 10.422 7.176 1.00 0.00 C ATOM 670 C THR A 60 12.130 10.325 5.685 1.00 0.00 C ATOM 671 O THR A 60 11.383 9.698 4.933 1.00 0.00 O ATOM 672 CB THR A 60 13.007 9.825 7.975 1.00 0.00 C ATOM 673 OG1 THR A 60 14.175 10.636 7.793 1.00 0.00 O ATOM 674 CG2 THR A 60 13.302 8.407 7.511 1.00 0.00 C ATOM 0 H THR A 60 10.282 9.055 6.831 1.00 0.00 H new ATOM 0 HA THR A 60 11.723 11.473 7.444 1.00 0.00 H new ATOM 0 HB THR A 60 12.733 9.802 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.920 10.256 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.134 8.001 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.420 7.784 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.564 8.417 6.453 1.00 0.00 H new ATOM 682 N LEU A 61 13.224 10.950 5.262 1.00 0.00 N ATOM 683 CA LEU A 61 13.543 11.061 3.843 1.00 0.00 C ATOM 684 C LEU A 61 13.943 9.711 3.262 1.00 0.00 C ATOM 685 O LEU A 61 13.676 9.423 2.095 1.00 0.00 O ATOM 686 CB LEU A 61 14.677 12.072 3.633 1.00 0.00 C ATOM 687 CG LEU A 61 14.321 13.538 3.909 1.00 0.00 C ATOM 688 CD1 LEU A 61 15.584 14.387 3.851 1.00 0.00 C ATOM 689 CD2 LEU A 61 13.296 14.013 2.890 1.00 0.00 C ATOM 0 H LEU A 61 13.905 11.388 5.882 1.00 0.00 H new ATOM 0 HA LEU A 61 12.649 11.407 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.512 11.793 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.026 11.990 2.604 1.00 0.00 H new ATOM 0 HG LEU A 61 13.886 13.635 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.331 15.429 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.292 14.038 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.034 14.303 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.043 15.055 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.712 13.924 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.397 13.401 2.966 1.00 0.00 H new ATOM 701 N LEU A 62 14.584 8.886 4.082 1.00 0.00 N ATOM 702 CA LEU A 62 14.983 7.547 3.664 1.00 0.00 C ATOM 703 C LEU A 62 13.768 6.679 3.362 1.00 0.00 C ATOM 704 O LEU A 62 13.755 5.933 2.383 1.00 0.00 O ATOM 705 CB LEU A 62 15.835 6.884 4.754 1.00 0.00 C ATOM 706 CG LEU A 62 17.224 7.495 4.977 1.00 0.00 C ATOM 707 CD1 LEU A 62 17.870 6.857 6.199 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.077 7.285 3.735 1.00 0.00 C ATOM 0 H LEU A 62 14.839 9.121 5.041 1.00 0.00 H new ATOM 0 HA LEU A 62 15.572 7.643 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.285 6.925 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.958 5.831 4.503 1.00 0.00 H new ATOM 0 HG LEU A 62 17.135 8.567 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.857 7.291 6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.249 7.039 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.967 5.783 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.064 7.719 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.178 6.218 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.601 7.767 2.881 1.00 0.00 H new ATOM 720 N LYS A 63 12.749 6.782 4.208 1.00 0.00 N ATOM 721 CA LYS A 63 11.506 6.048 4.002 1.00 0.00 C ATOM 722 C LYS A 63 10.785 6.526 2.748 1.00 0.00 C ATOM 723 O LYS A 63 10.222 5.727 2.001 1.00 0.00 O ATOM 724 CB LYS A 63 10.592 6.189 5.220 1.00 0.00 C ATOM 725 CG LYS A 63 9.306 5.378 5.140 1.00 0.00 C ATOM 726 CD LYS A 63 8.548 5.411 6.458 1.00 0.00 C ATOM 727 CE LYS A 63 7.283 4.569 6.392 1.00 0.00 C ATOM 728 NZ LYS A 63 6.581 4.514 7.703 1.00 0.00 N1+ ATOM 0 H LYS A 63 12.759 7.367 5.043 1.00 0.00 H new ATOM 0 HA LYS A 63 11.759 4.996 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.144 5.885 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.336 7.241 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.674 5.773 4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.540 4.346 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.190 5.043 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.289 6.441 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.612 4.981 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.537 3.558 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.725 3.931 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.212 4.097 8.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.315 5.476 7.995 1.00 0.00 H new ATOM 742 N CYS A 64 10.805 7.836 2.523 1.00 0.00 N ATOM 743 CA CYS A 64 10.230 8.415 1.315 1.00 0.00 C ATOM 744 C CYS A 64 10.935 7.898 0.067 1.00 0.00 C ATOM 745 O CYS A 64 10.290 7.437 -0.875 1.00 0.00 O ATOM 746 CB CYS A 64 10.324 9.940 1.352 1.00 0.00 C ATOM 747 SG CYS A 64 9.577 10.762 -0.075 1.00 0.00 S ATOM 0 H CYS A 64 11.214 8.517 3.163 1.00 0.00 H new ATOM 0 HA CYS A 64 9.182 8.117 1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 64 9.840 10.301 2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.374 10.227 1.414 1.00 0.00 H new ATOM 752 N ASN A 65 12.261 7.977 0.067 1.00 0.00 N ATOM 753 CA ASN A 65 13.053 7.566 -1.086 1.00 0.00 C ATOM 754 C ASN A 65 12.838 6.092 -1.405 1.00 0.00 C ATOM 755 O ASN A 65 12.650 5.718 -2.562 1.00 0.00 O ATOM 756 CB ASN A 65 14.524 7.853 -0.853 1.00 0.00 C ATOM 757 CG ASN A 65 14.853 9.316 -0.968 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.172 10.064 -1.679 1.00 0.00 O ATOM 759 ND2 ASN A 65 15.884 9.738 -0.282 1.00 0.00 N ATOM 0 H ASN A 65 12.811 8.322 0.854 1.00 0.00 H new ATOM 0 HA ASN A 65 12.719 8.147 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.807 7.497 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.118 7.293 -1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.155 10.721 -0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.417 9.084 0.292 1.00 0.00 H new ATOM 766 N GLU A 66 12.867 5.258 -0.371 1.00 0.00 N ATOM 767 CA GLU A 66 12.681 3.822 -0.539 1.00 0.00 C ATOM 768 C GLU A 66 11.285 3.504 -1.057 1.00 0.00 C ATOM 769 O GLU A 66 11.121 2.703 -1.978 1.00 0.00 O ATOM 770 CB GLU A 66 12.923 3.094 0.785 1.00 0.00 C ATOM 771 CG GLU A 66 14.381 3.049 1.221 1.00 0.00 C ATOM 772 CD GLU A 66 14.569 2.405 2.566 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.588 2.104 3.202 1.00 0.00 O ATOM 774 OE2 GLU A 66 15.696 2.214 2.958 1.00 0.00 O1- ATOM 0 H GLU A 66 13.018 5.553 0.594 1.00 0.00 H new ATOM 0 HA GLU A 66 13.407 3.476 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.338 3.581 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.551 2.073 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.961 2.502 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.778 4.064 1.251 1.00 0.00 H new ATOM 781 N SER A 67 10.280 4.136 -0.460 1.00 0.00 N ATOM 782 CA SER A 67 8.894 3.915 -0.855 1.00 0.00 C ATOM 783 C SER A 67 8.676 4.266 -2.321 1.00 0.00 C ATOM 784 O SER A 67 8.007 3.535 -3.051 1.00 0.00 O ATOM 785 CB SER A 67 7.965 4.741 0.015 1.00 0.00 C ATOM 786 OG SER A 67 7.983 4.286 1.340 1.00 0.00 O ATOM 0 H SER A 67 10.400 4.806 0.300 1.00 0.00 H new ATOM 0 HA SER A 67 8.671 2.857 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.265 5.788 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.950 4.688 -0.378 1.00 0.00 H new ATOM 0 HG SER A 67 8.743 4.685 1.813 1.00 0.00 H new ATOM 792 N CYS A 68 9.245 5.388 -2.747 1.00 0.00 N ATOM 793 CA CYS A 68 9.121 5.834 -4.129 1.00 0.00 C ATOM 794 C CYS A 68 9.841 4.887 -5.080 1.00 0.00 C ATOM 795 O CYS A 68 9.401 4.672 -6.209 1.00 0.00 O ATOM 796 CB CYS A 68 9.690 7.244 -4.293 1.00 0.00 C ATOM 797 SG CYS A 68 8.735 8.528 -3.451 1.00 0.00 S ATOM 0 H CYS A 68 9.798 6.006 -2.153 1.00 0.00 H new ATOM 0 HA CYS A 68 8.059 5.841 -4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.712 7.258 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.741 7.482 -5.355 1.00 0.00 H new ATOM 802 N ASN A 69 10.952 4.324 -4.617 1.00 0.00 N ATOM 803 CA ASN A 69 11.718 3.373 -5.414 1.00 0.00 C ATOM 804 C ASN A 69 11.050 2.004 -5.431 1.00 0.00 C ATOM 805 O ASN A 69 11.375 1.154 -6.260 1.00 0.00 O ATOM 806 CB ASN A 69 13.140 3.266 -4.895 1.00 0.00 C ATOM 807 CG ASN A 69 13.968 4.477 -5.226 1.00 0.00 C ATOM 808 OD1 ASN A 69 13.614 5.264 -6.111 1.00 0.00 O ATOM 809 ND2 ASN A 69 15.065 4.641 -4.531 1.00 0.00 N ATOM 0 H ASN A 69 11.342 4.510 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 69 11.749 3.743 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.119 3.129 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.612 2.380 -5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.667 5.444 -4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.318 3.965 -3.810 1.00 0.00 H new ATOM 816 N ASP A 70 10.113 1.797 -4.511 1.00 0.00 N ATOM 817 CA ASP A 70 9.319 0.574 -4.489 1.00 0.00 C ATOM 818 C ASP A 70 8.092 0.698 -5.383 1.00 0.00 C ATOM 819 O ASP A 70 7.291 -0.231 -5.485 1.00 0.00 O ATOM 820 CB ASP A 70 8.885 0.243 -3.059 1.00 0.00 C ATOM 821 CG ASP A 70 10.042 -0.208 -2.177 1.00 0.00 C ATOM 822 OD1 ASP A 70 11.009 -0.703 -2.707 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.949 -0.052 -0.983 1.00 0.00 O1- ATOM 0 H ASP A 70 9.885 2.461 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 70 9.944 -0.234 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.417 1.121 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.129 -0.542 -3.087 1.00 0.00 H new ATOM 828 N ALA A 71 7.950 1.850 -6.028 1.00 0.00 N ATOM 829 CA ALA A 71 6.865 2.069 -6.977 1.00 0.00 C ATOM 830 C ALA A 71 7.101 1.299 -8.270 1.00 0.00 C ATOM 831 O ALA A 71 8.243 1.037 -8.649 1.00 0.00 O ATOM 832 CB ALA A 71 6.706 3.554 -7.267 1.00 0.00 C ATOM 0 H ALA A 71 8.574 2.648 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 71 5.944 1.698 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.892 3.701 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.480 4.083 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.632 3.943 -7.691 1.00 0.00 H new ATOM 838 N PRO A 72 6.014 0.938 -8.944 1.00 0.00 N ATOM 839 CA PRO A 72 6.100 0.172 -10.182 1.00 0.00 C ATOM 840 C PRO A 72 6.526 1.054 -11.348 1.00 0.00 C ATOM 841 O PRO A 72 6.854 0.559 -12.426 1.00 0.00 O ATOM 842 CB PRO A 72 4.671 -0.352 -10.362 1.00 0.00 C ATOM 843 CG PRO A 72 3.817 0.689 -9.723 1.00 0.00 C ATOM 844 CD PRO A 72 4.608 1.139 -8.524 1.00 0.00 C ATOM 0 HA PRO A 72 6.843 -0.624 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.423 -0.479 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.540 -1.323 -9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.623 1.517 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.848 0.284 -9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.407 2.182 -8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.365 0.551 -7.639 1.00 0.00 H new ATOM 852 N LYS A 73 6.520 2.364 -11.125 1.00 0.00 N ATOM 853 CA LYS A 73 6.871 3.320 -12.169 1.00 0.00 C ATOM 854 C LYS A 73 8.257 3.036 -12.733 1.00 0.00 C ATOM 855 O LYS A 73 9.237 2.966 -11.991 1.00 0.00 O ATOM 856 CB LYS A 73 6.806 4.750 -11.629 1.00 0.00 C ATOM 857 CG LYS A 73 5.419 5.191 -11.181 1.00 0.00 C ATOM 858 CD LYS A 73 4.464 5.293 -12.360 1.00 0.00 C ATOM 859 CE LYS A 73 3.101 5.814 -11.927 1.00 0.00 C ATOM 860 NZ LYS A 73 2.141 5.875 -13.062 1.00 0.00 N1+ ATOM 0 H LYS A 73 6.276 2.788 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 73 6.146 3.213 -12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.492 4.839 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.159 5.433 -12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.027 4.481 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.486 6.157 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.886 5.956 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.350 4.313 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.698 5.170 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.214 6.808 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.226 6.235 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.512 6.510 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.013 4.923 -13.460 1.00 0.00 H new ATOM 874 N PRO A 74 8.332 2.872 -14.049 1.00 0.00 N ATOM 875 CA PRO A 74 9.598 2.589 -14.715 1.00 0.00 C ATOM 876 C PRO A 74 10.631 3.668 -14.414 1.00 0.00 C ATOM 877 O PRO A 74 10.297 4.847 -14.304 1.00 0.00 O ATOM 878 CB PRO A 74 9.212 2.575 -16.198 1.00 0.00 C ATOM 879 CG PRO A 74 7.776 2.175 -16.198 1.00 0.00 C ATOM 880 CD PRO A 74 7.196 2.862 -14.990 1.00 0.00 C ATOM 0 HA PRO A 74 10.059 1.657 -14.388 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.353 3.554 -16.655 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.822 1.869 -16.762 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.276 2.491 -17.113 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.665 1.093 -16.131 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.853 3.870 -15.223 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.341 2.320 -14.587 1.00 0.00 H new ATOM 888 N PRO A 75 11.888 3.256 -14.283 1.00 0.00 N ATOM 889 CA PRO A 75 12.984 4.194 -14.074 1.00 0.00 C ATOM 890 C PRO A 75 12.975 5.295 -15.127 1.00 0.00 C ATOM 891 O PRO A 75 13.321 6.441 -14.843 1.00 0.00 O ATOM 892 CB PRO A 75 14.226 3.306 -14.196 1.00 0.00 C ATOM 893 CG PRO A 75 13.757 1.959 -13.761 1.00 0.00 C ATOM 894 CD PRO A 75 12.362 1.851 -14.318 1.00 0.00 C ATOM 0 HA PRO A 75 12.929 4.717 -13.119 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.602 3.286 -15.219 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.038 3.668 -13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.402 1.170 -14.148 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.759 1.869 -12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.360 1.448 -15.331 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.734 1.196 -13.714 1.00 0.00 H new ATOM 902 N CYS A 76 12.576 4.939 -16.344 1.00 0.00 N ATOM 903 CA CYS A 76 12.559 5.887 -17.451 1.00 0.00 C ATOM 904 C CYS A 76 11.632 7.060 -17.158 1.00 0.00 C ATOM 905 O CYS A 76 11.868 8.179 -17.615 1.00 0.00 O ATOM 906 CB CYS A 76 12.110 5.199 -18.741 1.00 0.00 C ATOM 907 SG CYS A 76 12.085 6.285 -20.187 1.00 0.00 S ATOM 0 H CYS A 76 12.260 4.000 -16.588 1.00 0.00 H new ATOM 0 HA CYS A 76 13.574 6.264 -17.575 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.775 4.359 -18.942 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.112 4.787 -18.592 1.00 0.00 H new ATOM 912 N SER A 77 10.578 6.798 -16.394 1.00 0.00 N ATOM 913 CA SER A 77 9.552 7.801 -16.133 1.00 0.00 C ATOM 914 C SER A 77 10.019 8.808 -15.091 1.00 0.00 C ATOM 915 O SER A 77 9.376 9.835 -14.874 1.00 0.00 O ATOM 916 CB SER A 77 8.275 7.131 -15.665 1.00 0.00 C ATOM 917 OG SER A 77 8.433 6.587 -14.384 1.00 0.00 O ATOM 0 H SER A 77 10.411 5.898 -15.944 1.00 0.00 H new ATOM 0 HA SER A 77 9.360 8.336 -17.063 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.461 7.856 -15.658 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.995 6.345 -16.366 1.00 0.00 H new ATOM 0 HG SER A 77 8.919 5.738 -14.447 1.00 0.00 H new ATOM 923 N LEU A 78 11.142 8.509 -14.447 1.00 0.00 N ATOM 924 CA LEU A 78 11.687 9.378 -13.411 1.00 0.00 C ATOM 925 C LEU A 78 12.814 10.246 -13.956 1.00 0.00 C ATOM 926 O LEU A 78 13.456 9.896 -14.946 1.00 0.00 O ATOM 927 CB LEU A 78 12.201 8.541 -12.233 1.00 0.00 C ATOM 928 CG LEU A 78 11.170 7.619 -11.572 1.00 0.00 C ATOM 929 CD1 LEU A 78 11.836 6.830 -10.453 1.00 0.00 C ATOM 930 CD2 LEU A 78 10.012 8.450 -11.040 1.00 0.00 C ATOM 0 H LEU A 78 11.693 7.670 -14.625 1.00 0.00 H new ATOM 0 HA LEU A 78 10.885 10.032 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.035 7.932 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.595 9.218 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 78 10.779 6.913 -12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.102 6.175 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.648 6.230 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.235 7.520 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.279 7.794 -10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.384 9.164 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.542 8.988 -11.863 1.00 0.00 H new ATOM 942 N GLU A 79 13.050 11.379 -13.304 1.00 0.00 N ATOM 943 CA GLU A 79 14.049 12.335 -13.766 1.00 0.00 C ATOM 944 C GLU A 79 15.435 11.980 -13.244 1.00 0.00 C ATOM 945 O GLU A 79 15.583 11.100 -12.397 1.00 0.00 O ATOM 946 CB GLU A 79 13.675 13.752 -13.326 1.00 0.00 C ATOM 947 CG GLU A 79 12.388 14.283 -13.942 1.00 0.00 C ATOM 948 CD GLU A 79 12.076 15.692 -13.521 1.00 0.00 C ATOM 949 OE1 GLU A 79 12.774 16.210 -12.683 1.00 0.00 O ATOM 950 OE2 GLU A 79 11.139 16.252 -14.039 1.00 0.00 O1- ATOM 0 H GLU A 79 12.562 11.658 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 79 14.072 12.292 -14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.578 13.768 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.492 14.427 -13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.468 14.243 -15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.560 13.633 -13.659 1.00 0.00 H new ATOM 957 N VAL A 80 16.449 12.671 -13.755 1.00 0.00 N ATOM 958 CA VAL A 80 17.825 12.432 -13.338 1.00 0.00 C ATOM 959 C VAL A 80 18.010 12.727 -11.855 1.00 0.00 C ATOM 960 O VAL A 80 17.640 13.798 -11.374 1.00 0.00 O ATOM 961 CB VAL A 80 18.791 13.310 -14.156 1.00 0.00 C ATOM 962 CG1 VAL A 80 20.209 13.188 -13.617 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.736 12.911 -15.623 1.00 0.00 C ATOM 0 H VAL A 80 16.343 13.401 -14.459 1.00 0.00 H new ATOM 0 HA VAL A 80 18.047 11.380 -13.515 1.00 0.00 H new ATOM 0 HB VAL A 80 18.484 14.352 -14.066 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.878 13.815 -14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.232 13.512 -12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.535 12.150 -13.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.421 13.536 -16.196 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.025 11.865 -15.727 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.722 13.046 -15.999 1.00 0.00 H new ATOM 973 N ASP A 81 18.584 11.769 -11.134 1.00 0.00 N ATOM 974 CA ASP A 81 18.887 11.952 -9.720 1.00 0.00 C ATOM 975 C ASP A 81 20.136 11.178 -9.319 1.00 0.00 C ATOM 976 O ASP A 81 20.068 9.987 -9.015 1.00 0.00 O ATOM 977 CB ASP A 81 17.704 11.508 -8.856 1.00 0.00 C ATOM 978 CG ASP A 81 17.933 11.744 -7.369 1.00 0.00 C ATOM 979 OD1 ASP A 81 19.052 12.005 -6.995 1.00 0.00 O ATOM 980 OD2 ASP A 81 16.988 11.663 -6.622 1.00 0.00 O1- ATOM 0 H ASP A 81 18.849 10.857 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 81 19.072 13.014 -9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.809 12.046 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.515 10.448 -9.025 1.00 0.00 H new ATOM 985 N TYR A 82 21.275 11.861 -9.320 1.00 0.00 N ATOM 986 CA TYR A 82 22.553 11.220 -9.034 1.00 0.00 C ATOM 987 C TYR A 82 22.924 11.361 -7.564 1.00 0.00 C ATOM 988 O TYR A 82 24.102 11.344 -7.206 1.00 0.00 O ATOM 989 CB TYR A 82 23.656 11.807 -9.918 1.00 0.00 C ATOM 990 CG TYR A 82 23.722 13.318 -9.888 1.00 0.00 C ATOM 991 CD1 TYR A 82 24.433 13.962 -8.886 1.00 0.00 C ATOM 992 CD2 TYR A 82 23.072 14.060 -10.864 1.00 0.00 C ATOM 993 CE1 TYR A 82 24.493 15.341 -8.859 1.00 0.00 C ATOM 994 CE2 TYR A 82 23.133 15.440 -10.836 1.00 0.00 C ATOM 995 CZ TYR A 82 23.840 16.080 -9.839 1.00 0.00 C ATOM 996 OH TYR A 82 23.900 17.454 -9.812 1.00 0.00 O ATOM 0 H TYR A 82 21.339 12.860 -9.516 1.00 0.00 H new ATOM 0 HA TYR A 82 22.451 10.158 -9.256 1.00 0.00 H new ATOM 0 HB2 TYR A 82 24.617 11.404 -9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 82 23.498 11.480 -10.946 1.00 0.00 H new ATOM 0 HD1 TYR A 82 24.940 13.385 -8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 82 22.519 13.559 -11.645 1.00 0.00 H new ATOM 0 HE1 TYR A 82 25.045 15.844 -8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 82 22.627 16.018 -11.595 1.00 0.00 H new ATOM 0 HH TYR A 82 23.392 17.819 -10.567 1.00 0.00 H new ATOM 1006 N GLY A 83 21.912 11.500 -6.714 1.00 0.00 N ATOM 1007 CA GLY A 83 22.110 11.445 -5.271 1.00 0.00 C ATOM 1008 C GLY A 83 22.527 12.802 -4.720 1.00 0.00 C ATOM 1009 O GLY A 83 22.652 13.774 -5.465 1.00 0.00 O ATOM 0 H GLY A 83 20.945 11.652 -7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.189 11.121 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.873 10.703 -5.034 1.00 0.00 H new ATOM 1013 N VAL A 84 22.742 12.862 -3.410 1.00 0.00 N ATOM 1014 CA VAL A 84 23.156 14.099 -2.757 1.00 0.00 C ATOM 1015 C VAL A 84 24.421 13.891 -1.935 1.00 0.00 C ATOM 1016 O VAL A 84 24.564 14.447 -0.847 1.00 0.00 O ATOM 1017 CB VAL A 84 22.033 14.622 -1.842 1.00 0.00 C ATOM 1018 CG1 VAL A 84 20.827 15.045 -2.668 1.00 0.00 C ATOM 1019 CG2 VAL A 84 21.647 13.552 -0.832 1.00 0.00 C ATOM 0 H VAL A 84 22.636 12.068 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 84 23.363 14.832 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 84 22.395 15.496 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 84 20.043 15.412 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.118 15.836 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.455 14.190 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.852 13.929 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.297 12.664 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 84 22.515 13.295 -0.224 1.00 0.00 H new ATOM 1029 N GLY A 85 25.338 13.086 -2.463 1.00 0.00 N ATOM 1030 CA GLY A 85 26.555 12.734 -1.741 1.00 0.00 C ATOM 1031 C GLY A 85 27.725 13.606 -2.176 1.00 0.00 C ATOM 1032 O GLY A 85 27.559 14.796 -2.446 1.00 0.00 O ATOM 0 H GLY A 85 25.261 12.665 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.391 12.849 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 85 26.795 11.685 -1.916 1.00 0.00 H new ATOM 1036 N ARG A 86 28.910 13.008 -2.241 1.00 0.00 N ATOM 1037 CA ARG A 86 30.131 13.755 -2.518 1.00 0.00 C ATOM 1038 C ARG A 86 31.059 12.973 -3.439 1.00 0.00 C ATOM 1039 O ARG A 86 32.088 13.485 -3.879 1.00 0.00 O ATOM 1040 CB ARG A 86 30.863 14.083 -1.225 1.00 0.00 C ATOM 1041 CG ARG A 86 30.124 15.031 -0.294 1.00 0.00 C ATOM 1042 CD ARG A 86 30.018 16.396 -0.870 1.00 0.00 C ATOM 1043 NE ARG A 86 29.362 17.320 0.041 1.00 0.00 N ATOM 1044 CZ ARG A 86 28.032 17.523 0.099 1.00 0.00 C ATOM 1045 NH1 ARG A 86 27.230 16.861 -0.706 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 27.532 18.387 0.965 1.00 0.00 N ATOM 0 H ARG A 86 29.050 12.007 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 86 29.842 14.681 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 86 31.061 13.154 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 86 31.830 14.521 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 86 29.126 14.641 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 86 30.643 15.079 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 86 31.015 16.768 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 86 29.461 16.353 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 86 29.951 17.852 0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 86 27.615 16.194 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 86 26.223 17.015 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 86 28.154 18.900 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 86 26.525 18.540 1.009 1.00 0.00 H new ATOM 1060 N ALA A 87 30.688 11.730 -3.726 1.00 0.00 N ATOM 1061 CA ALA A 87 31.478 10.880 -4.609 1.00 0.00 C ATOM 1062 C ALA A 87 31.247 11.239 -6.071 1.00 0.00 C ATOM 1063 O ALA A 87 30.321 11.981 -6.399 1.00 0.00 O ATOM 1064 CB ALA A 87 31.149 9.414 -4.366 1.00 0.00 C ATOM 0 H ALA A 87 29.845 11.288 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 87 32.531 11.047 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 87 31.746 8.792 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 87 31.374 9.157 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 87 30.090 9.242 -4.561 1.00 0.00 H new ATOM 1070 N ASN A 88 32.095 10.709 -6.946 1.00 0.00 N ATOM 1071 CA ASN A 88 31.944 10.917 -8.381 1.00 0.00 C ATOM 1072 C ASN A 88 31.970 9.594 -9.136 1.00 0.00 C ATOM 1073 O ASN A 88 32.925 9.297 -9.853 1.00 0.00 O ATOM 1074 CB ASN A 88 33.022 11.850 -8.901 1.00 0.00 C ATOM 1075 CG ASN A 88 32.962 13.213 -8.269 1.00 0.00 C ATOM 1076 OD1 ASN A 88 32.066 14.011 -8.568 1.00 0.00 O ATOM 1077 ND2 ASN A 88 33.899 13.494 -7.399 1.00 0.00 N ATOM 0 H ASN A 88 32.895 10.132 -6.686 1.00 0.00 H new ATOM 0 HA ASN A 88 30.972 11.380 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 88 34.001 11.409 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 88 32.920 11.950 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 88 33.910 14.403 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 88 34.618 12.804 -7.184 1.00 0.00 H new ATOM 1084 N ILE A 89 30.916 8.803 -8.969 1.00 0.00 N ATOM 1085 CA ILE A 89 30.836 7.490 -9.599 1.00 0.00 C ATOM 1086 C ILE A 89 30.106 7.563 -10.934 1.00 0.00 C ATOM 1087 O ILE A 89 28.938 7.946 -10.993 1.00 0.00 O ATOM 1088 CB ILE A 89 30.124 6.482 -8.678 1.00 0.00 C ATOM 1089 CG1 ILE A 89 30.887 6.334 -7.359 1.00 0.00 C ATOM 1090 CG2 ILE A 89 29.985 5.136 -9.371 1.00 0.00 C ATOM 1091 CD1 ILE A 89 30.122 5.582 -6.293 1.00 0.00 C ATOM 0 H ILE A 89 30.104 9.048 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 89 31.857 7.152 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 89 29.125 6.858 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 89 31.828 5.818 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 89 31.138 7.325 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 89 29.480 4.435 -8.706 1.00 0.00 H new ATOM 0 HG22 ILE A 89 29.402 5.255 -10.284 1.00 0.00 H new ATOM 0 HG23 ILE A 89 30.974 4.751 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 89 30.727 5.518 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 89 29.193 6.108 -6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 89 29.894 4.577 -6.649 1.00 0.00 H new ATOM 1103 N PRO A 90 30.801 7.193 -12.003 1.00 0.00 N ATOM 1104 CA PRO A 90 30.220 7.213 -13.340 1.00 0.00 C ATOM 1105 C PRO A 90 28.960 6.359 -13.406 1.00 0.00 C ATOM 1106 O PRO A 90 29.031 5.130 -13.402 1.00 0.00 O ATOM 1107 CB PRO A 90 31.340 6.636 -14.212 1.00 0.00 C ATOM 1108 CG PRO A 90 32.589 6.971 -13.471 1.00 0.00 C ATOM 1109 CD PRO A 90 32.223 6.798 -12.021 1.00 0.00 C ATOM 0 HA PRO A 90 29.904 8.206 -13.658 1.00 0.00 H new ATOM 0 HB2 PRO A 90 31.230 5.559 -14.341 1.00 0.00 H new ATOM 0 HB3 PRO A 90 31.337 7.078 -15.208 1.00 0.00 H new ATOM 0 HG2 PRO A 90 33.409 6.311 -13.755 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.913 7.990 -13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 90 32.363 5.770 -11.687 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.828 7.430 -11.371 1.00 0.00 H new ATOM 1117 N ARG A 91 27.808 7.018 -13.468 1.00 0.00 N ATOM 1118 CA ARG A 91 26.539 6.325 -13.661 1.00 0.00 C ATOM 1119 C ARG A 91 25.682 7.027 -14.707 1.00 0.00 C ATOM 1120 O ARG A 91 25.791 8.238 -14.901 1.00 0.00 O ATOM 1121 CB ARG A 91 25.769 6.243 -12.351 1.00 0.00 C ATOM 1122 CG ARG A 91 26.496 5.522 -11.227 1.00 0.00 C ATOM 1123 CD ARG A 91 26.622 4.067 -11.499 1.00 0.00 C ATOM 1124 NE ARG A 91 25.323 3.422 -11.613 1.00 0.00 N ATOM 1125 CZ ARG A 91 25.136 2.091 -11.706 1.00 0.00 C ATOM 1126 NH1 ARG A 91 26.170 1.279 -11.698 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 23.912 1.601 -11.806 1.00 0.00 N ATOM 0 H ARG A 91 27.727 8.032 -13.387 1.00 0.00 H new ATOM 0 HA ARG A 91 26.766 5.318 -14.011 1.00 0.00 H new ATOM 0 HB2 ARG A 91 25.532 7.255 -12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.821 5.737 -12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 91 27.488 5.955 -11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 91 25.958 5.672 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 91 27.184 3.917 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 91 27.192 3.596 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 91 24.496 4.019 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 91 27.114 1.657 -11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.028 0.271 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.110 2.231 -11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.770 0.593 -11.876 1.00 0.00 H new ATOM 1141 N TRP A 92 24.831 6.260 -15.378 1.00 0.00 N ATOM 1142 CA TRP A 92 24.026 6.786 -16.475 1.00 0.00 C ATOM 1143 C TRP A 92 22.617 7.128 -16.008 1.00 0.00 C ATOM 1144 O TRP A 92 21.998 6.368 -15.263 1.00 0.00 O ATOM 1145 CB TRP A 92 23.957 5.773 -17.619 1.00 0.00 C ATOM 1146 CG TRP A 92 25.244 5.635 -18.374 1.00 0.00 C ATOM 1147 CD1 TRP A 92 26.267 4.781 -18.091 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.655 6.377 -19.548 1.00 0.00 C ATOM 1149 NE1 TRP A 92 27.282 4.939 -19.003 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.924 5.911 -19.902 1.00 0.00 C ATOM 1151 CE3 TRP A 92 25.055 7.384 -20.315 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.613 6.417 -20.993 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.746 7.891 -21.410 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.992 7.419 -21.740 1.00 0.00 C ATOM 0 H TRP A 92 24.680 5.270 -15.182 1.00 0.00 H new ATOM 0 HA TRP A 92 24.504 7.699 -16.830 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.675 4.800 -17.216 1.00 0.00 H new ATOM 0 HB3 TRP A 92 23.169 6.071 -18.311 1.00 0.00 H new ATOM 0 HD1 TRP A 92 26.278 4.081 -17.269 1.00 0.00 H new ATOM 0 HE1 TRP A 92 28.159 4.418 -19.010 1.00 0.00 H new ATOM 0 HE3 TRP A 92 24.075 7.759 -20.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.594 6.049 -21.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 25.296 8.668 -22.010 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.503 7.832 -22.597 1.00 0.00 H new ATOM 1165 N TYR A 93 22.114 8.275 -16.452 1.00 0.00 N ATOM 1166 CA TYR A 93 20.781 8.726 -16.070 1.00 0.00 C ATOM 1167 C TYR A 93 20.000 9.222 -17.280 1.00 0.00 C ATOM 1168 O TYR A 93 20.546 9.905 -18.146 1.00 0.00 O ATOM 1169 CB TYR A 93 20.871 9.826 -15.010 1.00 0.00 C ATOM 1170 CG TYR A 93 21.560 9.391 -13.736 1.00 0.00 C ATOM 1171 CD1 TYR A 93 22.946 9.378 -13.666 1.00 0.00 C ATOM 1172 CD2 TYR A 93 20.807 9.004 -12.637 1.00 0.00 C ATOM 1173 CE1 TYR A 93 23.575 8.980 -12.502 1.00 0.00 C ATOM 1174 CE2 TYR A 93 21.436 8.607 -11.474 1.00 0.00 C ATOM 1175 CZ TYR A 93 22.814 8.594 -11.404 1.00 0.00 C ATOM 1176 OH TYR A 93 23.441 8.198 -10.245 1.00 0.00 O ATOM 0 H TYR A 93 22.610 8.910 -17.077 1.00 0.00 H new ATOM 0 HA TYR A 93 20.248 7.874 -15.649 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.406 10.678 -15.429 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.865 10.169 -14.769 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.533 9.679 -14.521 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.728 9.013 -12.691 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.653 8.969 -12.445 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.849 8.306 -10.619 1.00 0.00 H new ATOM 0 HH TYR A 93 22.768 7.961 -9.573 1.00 0.00 H new ATOM 1186 N TYR A 94 18.719 8.873 -17.335 1.00 0.00 N ATOM 1187 CA TYR A 94 17.859 9.283 -18.438 1.00 0.00 C ATOM 1188 C TYR A 94 17.208 10.631 -18.157 1.00 0.00 C ATOM 1189 O TYR A 94 16.495 10.792 -17.166 1.00 0.00 O ATOM 1190 CB TYR A 94 16.789 8.223 -18.706 1.00 0.00 C ATOM 1191 CG TYR A 94 15.867 8.564 -19.856 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.321 8.463 -21.163 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.567 8.976 -19.603 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.478 8.774 -22.212 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.724 9.287 -20.653 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.176 9.187 -21.953 1.00 0.00 C ATOM 1197 OH TYR A 94 13.337 9.497 -22.998 1.00 0.00 O ATOM 0 H TYR A 94 18.253 8.306 -16.627 1.00 0.00 H new ATOM 0 HA TYR A 94 18.482 9.386 -19.327 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.278 7.271 -18.914 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.193 8.085 -17.804 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.333 8.141 -21.360 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.214 9.054 -18.585 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.829 8.697 -23.230 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.712 9.608 -20.456 1.00 0.00 H new ATOM 0 HH TYR A 94 12.463 9.767 -22.647 1.00 0.00 H new ATOM 1207 N ASP A 95 17.457 11.598 -19.034 1.00 0.00 N ATOM 1208 CA ASP A 95 16.828 12.909 -18.929 1.00 0.00 C ATOM 1209 C ASP A 95 15.493 12.939 -19.663 1.00 0.00 C ATOM 1210 O ASP A 95 15.448 12.875 -20.891 1.00 0.00 O ATOM 1211 CB ASP A 95 17.751 13.993 -19.490 1.00 0.00 C ATOM 1212 CG ASP A 95 17.170 15.395 -19.352 1.00 0.00 C ATOM 1213 OD1 ASP A 95 15.976 15.511 -19.210 1.00 0.00 O ATOM 1214 OD2 ASP A 95 17.927 16.335 -19.389 1.00 0.00 O1- ATOM 0 H ASP A 95 18.091 11.498 -19.827 1.00 0.00 H new ATOM 0 HA ASP A 95 16.646 13.106 -17.872 1.00 0.00 H new ATOM 0 HB2 ASP A 95 18.710 13.950 -18.973 1.00 0.00 H new ATOM 0 HB3 ASP A 95 17.946 13.788 -20.543 1.00 0.00 H new ATOM 1219 N THR A 96 14.408 13.039 -18.903 1.00 0.00 N ATOM 1220 CA THR A 96 13.067 12.932 -19.465 1.00 0.00 C ATOM 1221 C THR A 96 12.675 14.206 -20.202 1.00 0.00 C ATOM 1222 O THR A 96 11.788 14.193 -21.056 1.00 0.00 O ATOM 1223 CB THR A 96 12.029 12.629 -18.369 1.00 0.00 C ATOM 1224 OG1 THR A 96 11.985 13.716 -17.435 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.389 11.348 -17.632 1.00 0.00 C ATOM 0 H THR A 96 14.431 13.194 -17.895 1.00 0.00 H new ATOM 0 HA THR A 96 13.081 12.106 -20.176 1.00 0.00 H new ATOM 0 HB THR A 96 11.054 12.504 -18.839 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.323 13.523 -16.739 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.644 11.150 -16.861 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.412 10.517 -18.337 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.370 11.458 -17.169 1.00 0.00 H new ATOM 1233 N ASN A 97 13.341 15.306 -19.868 1.00 0.00 N ATOM 1234 CA ASN A 97 13.027 16.602 -20.457 1.00 0.00 C ATOM 1235 C ASN A 97 13.721 16.779 -21.801 1.00 0.00 C ATOM 1236 O ASN A 97 13.178 17.399 -22.715 1.00 0.00 O ATOM 1237 CB ASN A 97 13.403 17.725 -19.509 1.00 0.00 C ATOM 1238 CG ASN A 97 12.499 17.797 -18.310 1.00 0.00 C ATOM 1239 OD1 ASN A 97 11.350 17.343 -18.356 1.00 0.00 O ATOM 1240 ND2 ASN A 97 12.995 18.359 -17.237 1.00 0.00 N ATOM 0 H ASN A 97 14.103 15.325 -19.191 1.00 0.00 H new ATOM 0 HA ASN A 97 11.951 16.640 -20.628 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.431 17.585 -19.176 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.367 18.674 -20.044 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.428 18.436 -16.393 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.949 18.720 -17.245 1.00 0.00 H new ATOM 1247 N ASN A 98 14.926 16.231 -21.915 1.00 0.00 N ATOM 1248 CA ASN A 98 15.680 16.290 -23.162 1.00 0.00 C ATOM 1249 C ASN A 98 15.654 14.949 -23.885 1.00 0.00 C ATOM 1250 O ASN A 98 16.174 14.821 -24.994 1.00 0.00 O ATOM 1251 CB ASN A 98 17.109 16.728 -22.902 1.00 0.00 C ATOM 1252 CG ASN A 98 17.204 18.169 -22.480 1.00 0.00 C ATOM 1253 OD1 ASN A 98 16.896 19.078 -23.260 1.00 0.00 O ATOM 1254 ND2 ASN A 98 17.624 18.394 -21.261 1.00 0.00 N ATOM 0 H ASN A 98 15.402 15.740 -21.158 1.00 0.00 H new ATOM 0 HA ASN A 98 15.203 17.028 -23.807 1.00 0.00 H new ATOM 0 HB2 ASN A 98 17.543 16.097 -22.127 1.00 0.00 H new ATOM 0 HB3 ASN A 98 17.701 16.578 -23.805 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.708 19.351 -20.919 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.867 17.612 -20.653 1.00 0.00 H new ATOM 1261 N ALA A 99 15.045 13.952 -23.252 1.00 0.00 N ATOM 1262 CA ALA A 99 14.897 12.636 -23.860 1.00 0.00 C ATOM 1263 C ALA A 99 16.247 12.067 -24.278 1.00 0.00 C ATOM 1264 O ALA A 99 16.424 11.640 -25.419 1.00 0.00 O ATOM 1265 CB ALA A 99 13.959 12.707 -25.056 1.00 0.00 C ATOM 0 H ALA A 99 14.646 14.031 -22.317 1.00 0.00 H new ATOM 0 HA ALA A 99 14.467 11.968 -23.114 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.859 11.716 -25.499 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.980 13.060 -24.730 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.365 13.396 -25.796 1.00 0.00 H new ATOM 1271 N THR A 100 17.196 12.064 -23.348 1.00 0.00 N ATOM 1272 CA THR A 100 18.541 11.576 -23.628 1.00 0.00 C ATOM 1273 C THR A 100 19.195 11.014 -22.373 1.00 0.00 C ATOM 1274 O THR A 100 18.948 11.491 -21.265 1.00 0.00 O ATOM 1275 CB THR A 100 19.424 12.693 -24.216 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.702 12.154 -24.578 1.00 0.00 O ATOM 1277 CG2 THR A 100 19.618 13.809 -23.201 1.00 0.00 C ATOM 0 H THR A 100 17.058 12.394 -22.393 1.00 0.00 H new ATOM 0 HA THR A 100 18.448 10.776 -24.363 1.00 0.00 H new ATOM 0 HB THR A 100 18.930 13.100 -25.098 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.262 12.865 -24.954 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.244 14.589 -23.633 1.00 0.00 H new ATOM 0 HG22 THR A 100 18.649 14.229 -22.932 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.100 13.410 -22.309 1.00 0.00 H new ATOM 1285 N CYS A 101 20.031 9.996 -22.553 1.00 0.00 N ATOM 1286 CA CYS A 101 20.703 9.349 -21.432 1.00 0.00 C ATOM 1287 C CYS A 101 22.161 9.780 -21.341 1.00 0.00 C ATOM 1288 O CYS A 101 22.937 9.577 -22.274 1.00 0.00 O ATOM 1289 CB CYS A 101 20.633 7.828 -21.568 1.00 0.00 C ATOM 1290 SG CYS A 101 21.384 6.928 -20.191 1.00 0.00 S ATOM 0 H CYS A 101 20.259 9.601 -23.465 1.00 0.00 H new ATOM 0 HA CYS A 101 20.189 9.655 -20.521 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.588 7.530 -21.656 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.128 7.534 -22.493 1.00 0.00 H new ATOM 1295 N GLU A 102 22.527 10.375 -20.211 1.00 0.00 N ATOM 1296 CA GLU A 102 23.859 10.945 -20.042 1.00 0.00 C ATOM 1297 C GLU A 102 24.503 10.467 -18.747 1.00 0.00 C ATOM 1298 O GLU A 102 23.818 9.997 -17.839 1.00 0.00 O ATOM 1299 CB GLU A 102 23.789 12.474 -20.054 1.00 0.00 C ATOM 1300 CG GLU A 102 23.285 13.070 -21.361 1.00 0.00 C ATOM 1301 CD GLU A 102 23.248 14.572 -21.343 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.517 15.142 -20.313 1.00 0.00 O ATOM 1303 OE2 GLU A 102 22.950 15.152 -22.361 1.00 0.00 O1- ATOM 0 H GLU A 102 21.920 10.475 -19.398 1.00 0.00 H new ATOM 0 HA GLU A 102 24.474 10.607 -20.876 1.00 0.00 H new ATOM 0 HB2 GLU A 102 23.138 12.802 -19.244 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.782 12.873 -19.846 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.926 12.737 -22.177 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.284 12.689 -21.566 1.00 0.00 H new ATOM 1310 N MET A 103 25.823 10.590 -18.669 1.00 0.00 N ATOM 1311 CA MET A 103 26.563 10.168 -17.485 1.00 0.00 C ATOM 1312 C MET A 103 26.662 11.297 -16.466 1.00 0.00 C ATOM 1313 O MET A 103 27.013 12.426 -16.808 1.00 0.00 O ATOM 1314 CB MET A 103 27.956 9.682 -17.879 1.00 0.00 C ATOM 1315 CG MET A 103 28.806 9.195 -16.714 1.00 0.00 C ATOM 1316 SD MET A 103 30.425 8.596 -17.237 1.00 0.00 S ATOM 1317 CE MET A 103 29.983 7.026 -17.976 1.00 0.00 C ATOM 0 H MET A 103 26.403 10.979 -19.412 1.00 0.00 H new ATOM 0 HA MET A 103 26.020 9.345 -17.021 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.854 8.872 -18.602 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.482 10.494 -18.382 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.937 10.008 -16.000 1.00 0.00 H new ATOM 0 HG3 MET A 103 28.278 8.396 -16.193 1.00 0.00 H new ATOM 0 HE1 MET A 103 30.879 6.419 -18.105 1.00 0.00 H new ATOM 0 HE2 MET A 103 29.281 6.503 -17.327 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.519 7.199 -18.947 1.00 0.00 H new ATOM 1327 N PHE A 104 26.351 10.984 -15.213 1.00 0.00 N ATOM 1328 CA PHE A 104 26.461 11.955 -14.131 1.00 0.00 C ATOM 1329 C PHE A 104 27.301 11.410 -12.984 1.00 0.00 C ATOM 1330 O PHE A 104 27.559 10.209 -12.907 1.00 0.00 O ATOM 1331 CB PHE A 104 25.073 12.340 -13.615 1.00 0.00 C ATOM 1332 CG PHE A 104 24.243 13.097 -14.613 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.508 12.424 -15.578 1.00 0.00 C ATOM 1334 CD2 PHE A 104 24.197 14.482 -14.590 1.00 0.00 C ATOM 1335 CE1 PHE A 104 22.745 13.119 -16.497 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.434 15.180 -15.506 1.00 0.00 C ATOM 1337 CZ PHE A 104 22.708 14.497 -16.461 1.00 0.00 C ATOM 0 H PHE A 104 26.020 10.064 -14.921 1.00 0.00 H new ATOM 0 HA PHE A 104 26.955 12.841 -14.531 1.00 0.00 H new ATOM 0 HB2 PHE A 104 24.540 11.435 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 104 25.185 12.946 -12.716 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.532 11.345 -15.611 1.00 0.00 H new ATOM 0 HD2 PHE A 104 24.765 15.022 -13.847 1.00 0.00 H new ATOM 0 HE1 PHE A 104 22.178 12.583 -17.243 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.406 16.259 -15.475 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.112 15.041 -17.179 1.00 0.00 H new ATOM 1347 N THR A 105 27.727 12.300 -12.094 1.00 0.00 N ATOM 1348 CA THR A 105 28.575 11.916 -10.972 1.00 0.00 C ATOM 1349 C THR A 105 27.740 11.491 -9.770 1.00 0.00 C ATOM 1350 O THR A 105 27.308 12.326 -8.976 1.00 0.00 O ATOM 1351 CB THR A 105 29.514 13.067 -10.567 1.00 0.00 C ATOM 1352 OG1 THR A 105 28.742 14.243 -10.291 1.00 0.00 O ATOM 1353 CG2 THR A 105 30.503 13.365 -11.683 1.00 0.00 C ATOM 0 H THR A 105 27.498 13.293 -12.128 1.00 0.00 H new ATOM 0 HA THR A 105 29.177 11.068 -11.299 1.00 0.00 H new ATOM 0 HB THR A 105 30.066 12.769 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 105 27.919 13.992 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.159 14.181 -11.380 1.00 0.00 H new ATOM 0 HG22 THR A 105 31.100 12.476 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.960 13.652 -12.584 1.00 0.00 H new ATOM 1361 N TYR A 106 27.516 10.187 -9.643 1.00 0.00 N ATOM 1362 CA TYR A 106 26.723 9.649 -8.544 1.00 0.00 C ATOM 1363 C TYR A 106 27.391 9.916 -7.201 1.00 0.00 C ATOM 1364 O TYR A 106 28.545 9.545 -6.986 1.00 0.00 O ATOM 1365 CB TYR A 106 26.494 8.148 -8.734 1.00 0.00 C ATOM 1366 CG TYR A 106 25.668 7.514 -7.637 1.00 0.00 C ATOM 1367 CD1 TYR A 106 24.431 8.046 -7.304 1.00 0.00 C ATOM 1368 CD2 TYR A 106 26.148 6.400 -6.964 1.00 0.00 C ATOM 1369 CE1 TYR A 106 23.677 7.466 -6.302 1.00 0.00 C ATOM 1370 CE2 TYR A 106 25.393 5.820 -5.962 1.00 0.00 C ATOM 1371 CZ TYR A 106 24.163 6.350 -5.631 1.00 0.00 C ATOM 1372 OH TYR A 106 23.411 5.772 -4.634 1.00 0.00 O ATOM 0 H TYR A 106 27.873 9.483 -10.289 1.00 0.00 H new ATOM 0 HA TYR A 106 25.758 10.155 -8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 106 25.998 7.984 -9.691 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.460 7.646 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 106 24.057 8.913 -7.828 1.00 0.00 H new ATOM 0 HD2 TYR A 106 27.111 5.986 -7.223 1.00 0.00 H new ATOM 0 HE1 TYR A 106 22.713 7.878 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 106 25.766 4.952 -5.438 1.00 0.00 H new ATOM 0 HH TYR A 106 22.692 6.383 -4.371 1.00 0.00 H new ATOM 1382 N GLY A 107 26.659 10.563 -6.300 1.00 0.00 N ATOM 1383 CA GLY A 107 27.237 11.057 -5.056 1.00 0.00 C ATOM 1384 C GLY A 107 27.389 9.936 -4.036 1.00 0.00 C ATOM 1385 O GLY A 107 28.203 10.026 -3.117 1.00 0.00 O ATOM 0 H GLY A 107 25.664 10.757 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.211 11.504 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.604 11.843 -4.645 1.00 0.00 H new ATOM 1389 N GLY A 108 26.602 8.879 -4.204 1.00 0.00 N ATOM 1390 CA GLY A 108 26.701 7.706 -3.344 1.00 0.00 C ATOM 1391 C GLY A 108 25.556 7.659 -2.341 1.00 0.00 C ATOM 1392 O GLY A 108 25.390 6.676 -1.619 1.00 0.00 O ATOM 0 H GLY A 108 25.888 8.811 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.691 6.803 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.653 7.721 -2.813 1.00 0.00 H new ATOM 1396 N ILE A 109 24.767 8.727 -2.301 1.00 0.00 N ATOM 1397 CA ILE A 109 23.693 8.851 -1.322 1.00 0.00 C ATOM 1398 C ILE A 109 22.328 8.701 -1.980 1.00 0.00 C ATOM 1399 O ILE A 109 21.941 9.512 -2.821 1.00 0.00 O ATOM 1400 CB ILE A 109 23.767 10.206 -0.594 1.00 0.00 C ATOM 1401 CG1 ILE A 109 25.124 10.368 0.095 1.00 0.00 C ATOM 1402 CG2 ILE A 109 22.635 10.330 0.414 1.00 0.00 C ATOM 1403 CD1 ILE A 109 25.411 9.309 1.135 1.00 0.00 C ATOM 0 H ILE A 109 24.851 9.521 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 109 23.822 8.049 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 109 23.659 11.002 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 109 25.910 10.344 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 109 25.166 11.349 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 109 22.702 11.293 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 109 21.678 10.257 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 109 22.713 9.528 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.390 9.491 1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 109 24.648 9.346 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 109 25.403 8.326 0.665 1.00 0.00 H new ATOM 1415 N THR A 110 21.601 7.658 -1.593 1.00 0.00 N ATOM 1416 CA THR A 110 20.258 7.425 -2.110 1.00 0.00 C ATOM 1417 C THR A 110 20.215 7.584 -3.624 1.00 0.00 C ATOM 1418 O THR A 110 21.084 7.080 -4.336 1.00 0.00 O ATOM 1419 CB THR A 110 19.241 8.382 -1.460 1.00 0.00 C ATOM 1420 OG1 THR A 110 19.541 9.732 -1.840 1.00 0.00 O ATOM 1421 CG2 THR A 110 19.290 8.264 0.055 1.00 0.00 C ATOM 0 H THR A 110 21.920 6.960 -0.922 1.00 0.00 H new ATOM 0 HA THR A 110 19.988 6.399 -1.858 1.00 0.00 H new ATOM 0 HB THR A 110 18.242 8.113 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 110 20.212 9.729 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 110 18.565 8.947 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 110 19.051 7.242 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.290 8.518 0.408 1.00 0.00 H new ATOM 1429 N GLY A 111 19.199 8.288 -4.112 1.00 0.00 N ATOM 1430 CA GLY A 111 18.901 8.315 -5.538 1.00 0.00 C ATOM 1431 C GLY A 111 17.623 7.547 -5.849 1.00 0.00 C ATOM 1432 O GLY A 111 17.110 6.810 -5.007 1.00 0.00 O ATOM 0 H GLY A 111 18.568 8.848 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.798 9.348 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 111 19.733 7.882 -6.094 1.00 0.00 H new ATOM 1436 N ASN A 112 17.112 7.723 -7.063 1.00 0.00 N ATOM 1437 CA ASN A 112 15.867 7.084 -7.471 1.00 0.00 C ATOM 1438 C ASN A 112 16.132 5.902 -8.394 1.00 0.00 C ATOM 1439 O ASN A 112 17.281 5.528 -8.626 1.00 0.00 O ATOM 1440 CB ASN A 112 14.946 8.088 -8.139 1.00 0.00 C ATOM 1441 CG ASN A 112 15.520 8.639 -9.415 1.00 0.00 C ATOM 1442 OD1 ASN A 112 16.561 8.174 -9.893 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.861 9.621 -9.976 1.00 0.00 N ATOM 0 H ASN A 112 17.542 8.304 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 112 15.375 6.705 -6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.989 7.612 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 112 14.748 8.909 -7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.203 10.034 -10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.006 9.973 -9.546 1.00 0.00 H new ATOM 1450 N LYS A 113 15.060 5.316 -8.918 1.00 0.00 N ATOM 1451 CA LYS A 113 15.171 4.137 -9.769 1.00 0.00 C ATOM 1452 C LYS A 113 15.932 4.452 -11.050 1.00 0.00 C ATOM 1453 O LYS A 113 16.566 3.576 -11.639 1.00 0.00 O ATOM 1454 CB LYS A 113 13.785 3.585 -10.103 1.00 0.00 C ATOM 1455 CG LYS A 113 13.034 3.006 -8.911 1.00 0.00 C ATOM 1456 CD LYS A 113 11.624 2.586 -9.297 1.00 0.00 C ATOM 1457 CE LYS A 113 11.629 1.284 -10.086 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.260 0.885 -10.510 1.00 0.00 N1+ ATOM 0 H LYS A 113 14.104 5.639 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 113 15.730 3.380 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.186 4.383 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.889 2.810 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.577 2.146 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.989 3.746 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.019 2.466 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.159 3.372 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.263 1.395 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.065 0.492 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.280 -0.088 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.616 0.934 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.926 1.529 -11.255 1.00 0.00 H new ATOM 1472 N ASN A 114 15.866 5.708 -11.478 1.00 0.00 N ATOM 1473 CA ASN A 114 16.561 6.145 -12.683 1.00 0.00 C ATOM 1474 C ASN A 114 18.071 6.120 -12.488 1.00 0.00 C ATOM 1475 O ASN A 114 18.681 7.138 -12.161 1.00 0.00 O ATOM 1476 CB ASN A 114 16.098 7.531 -13.094 1.00 0.00 C ATOM 1477 CG ASN A 114 16.705 7.981 -14.394 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.791 7.529 -14.775 1.00 0.00 O ATOM 1479 ND2 ASN A 114 16.026 8.863 -15.081 1.00 0.00 N ATOM 0 H ASN A 114 15.337 6.442 -11.007 1.00 0.00 H new ATOM 0 HA ASN A 114 16.315 5.447 -13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 114 15.012 7.536 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 114 16.356 8.244 -12.311 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.389 9.206 -15.971 1.00 0.00 H new ATOM 0 HD22 ASN A 114 15.134 9.208 -14.727 1.00 0.00 H new ATOM 1486 N ASN A 115 18.670 4.951 -12.690 1.00 0.00 N ATOM 1487 CA ASN A 115 20.111 4.791 -12.537 1.00 0.00 C ATOM 1488 C ASN A 115 20.614 3.571 -13.297 1.00 0.00 C ATOM 1489 O ASN A 115 20.333 2.433 -12.920 1.00 0.00 O ATOM 1490 CB ASN A 115 20.485 4.698 -11.069 1.00 0.00 C ATOM 1491 CG ASN A 115 21.972 4.654 -10.853 1.00 0.00 C ATOM 1492 OD1 ASN A 115 22.728 4.235 -11.737 1.00 0.00 O ATOM 1493 ND2 ASN A 115 22.407 5.080 -9.695 1.00 0.00 N ATOM 0 H ASN A 115 18.178 4.099 -12.961 1.00 0.00 H new ATOM 0 HA ASN A 115 20.593 5.672 -12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 115 20.069 5.554 -10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 115 20.032 3.805 -10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 115 23.407 5.075 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 115 21.746 5.417 -8.995 1.00 0.00 H new ATOM 1500 N PHE A 116 21.359 3.814 -14.370 1.00 0.00 N ATOM 1501 CA PHE A 116 21.683 2.767 -15.331 1.00 0.00 C ATOM 1502 C PHE A 116 23.189 2.563 -15.437 1.00 0.00 C ATOM 1503 O PHE A 116 23.971 3.432 -15.053 1.00 0.00 O ATOM 1504 CB PHE A 116 21.112 3.110 -16.708 1.00 0.00 C ATOM 1505 CG PHE A 116 19.633 3.373 -16.702 1.00 0.00 C ATOM 1506 CD1 PHE A 116 19.144 4.668 -16.610 1.00 0.00 C ATOM 1507 CD2 PHE A 116 18.727 2.327 -16.788 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.784 4.911 -16.605 1.00 0.00 C ATOM 1509 CE2 PHE A 116 17.367 2.567 -16.784 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.895 3.861 -16.692 1.00 0.00 C ATOM 0 H PHE A 116 21.750 4.729 -14.596 1.00 0.00 H new ATOM 0 HA PHE A 116 21.233 1.840 -14.975 1.00 0.00 H new ATOM 0 HB2 PHE A 116 21.626 3.989 -17.096 1.00 0.00 H new ATOM 0 HB3 PHE A 116 21.323 2.289 -17.393 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.834 5.496 -16.542 1.00 0.00 H new ATOM 0 HD2 PHE A 116 19.089 1.312 -16.859 1.00 0.00 H new ATOM 0 HE1 PHE A 116 17.417 5.924 -16.533 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.673 1.742 -16.853 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.832 4.050 -16.688 1.00 0.00 H new ATOM 1520 N GLU A 117 23.589 1.409 -15.960 1.00 0.00 N ATOM 1521 CA GLU A 117 25.001 1.109 -16.164 1.00 0.00 C ATOM 1522 C GLU A 117 25.436 1.439 -17.586 1.00 0.00 C ATOM 1523 O GLU A 117 26.626 1.431 -17.899 1.00 0.00 O ATOM 1524 CB GLU A 117 25.282 -0.366 -15.864 1.00 0.00 C ATOM 1525 CG GLU A 117 25.052 -0.768 -14.414 1.00 0.00 C ATOM 1526 CD GLU A 117 25.374 -2.212 -14.150 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.724 -2.903 -15.076 1.00 0.00 O ATOM 1528 OE2 GLU A 117 25.271 -2.625 -13.019 1.00 0.00 O1- ATOM 0 H GLU A 117 22.954 0.665 -16.251 1.00 0.00 H new ATOM 0 HA GLU A 117 25.575 1.731 -15.477 1.00 0.00 H new ATOM 0 HB2 GLU A 117 24.649 -0.981 -16.504 1.00 0.00 H new ATOM 0 HB3 GLU A 117 26.315 -0.588 -16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 117 25.664 -0.140 -13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 117 24.011 -0.579 -14.150 1.00 0.00 H new ATOM 1535 N SER A 118 24.463 1.731 -18.443 1.00 0.00 N ATOM 1536 CA SER A 118 24.746 2.098 -19.826 1.00 0.00 C ATOM 1537 C SER A 118 23.588 2.877 -20.436 1.00 0.00 C ATOM 1538 O SER A 118 22.462 2.825 -19.941 1.00 0.00 O ATOM 1539 CB SER A 118 25.021 0.855 -20.650 1.00 0.00 C ATOM 1540 OG SER A 118 23.857 0.092 -20.812 1.00 0.00 O ATOM 0 H SER A 118 23.471 1.721 -18.204 1.00 0.00 H new ATOM 0 HA SER A 118 25.629 2.737 -19.831 1.00 0.00 H new ATOM 0 HB2 SER A 118 25.411 1.141 -21.627 1.00 0.00 H new ATOM 0 HB3 SER A 118 25.789 0.254 -20.163 1.00 0.00 H new ATOM 0 HG SER A 118 24.059 -0.703 -21.348 1.00 0.00 H new ATOM 1546 N GLU A 119 23.872 3.600 -21.515 1.00 0.00 N ATOM 1547 CA GLU A 119 22.841 4.336 -22.236 1.00 0.00 C ATOM 1548 C GLU A 119 21.926 3.392 -23.006 1.00 0.00 C ATOM 1549 O GLU A 119 20.830 3.773 -23.418 1.00 0.00 O ATOM 1550 CB GLU A 119 23.478 5.342 -23.197 1.00 0.00 C ATOM 1551 CG GLU A 119 24.262 4.711 -24.339 1.00 0.00 C ATOM 1552 CD GLU A 119 25.671 4.356 -23.955 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.905 4.103 -22.798 1.00 0.00 O ATOM 1554 OE2 GLU A 119 26.515 4.338 -24.820 1.00 0.00 O1- ATOM 0 H GLU A 119 24.808 3.691 -21.909 1.00 0.00 H new ATOM 0 HA GLU A 119 22.240 4.873 -21.502 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.694 5.973 -23.616 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.144 5.994 -22.632 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.745 3.812 -24.675 1.00 0.00 H new ATOM 0 HG3 GLU A 119 24.284 5.401 -25.183 1.00 0.00 H new ATOM 1561 N GLU A 120 22.384 2.160 -23.199 1.00 0.00 N ATOM 1562 CA GLU A 120 21.567 1.130 -23.830 1.00 0.00 C ATOM 1563 C GLU A 120 20.489 0.622 -22.881 1.00 0.00 C ATOM 1564 O GLU A 120 19.383 0.288 -23.305 1.00 0.00 O ATOM 1565 CB GLU A 120 22.444 -0.037 -24.292 1.00 0.00 C ATOM 1566 CG GLU A 120 23.407 0.308 -25.419 1.00 0.00 C ATOM 1567 CD GLU A 120 22.707 0.793 -26.658 1.00 0.00 C ATOM 1568 OE1 GLU A 120 21.807 0.125 -27.109 1.00 0.00 O ATOM 1569 OE2 GLU A 120 23.073 1.832 -27.155 1.00 0.00 O1- ATOM 0 H GLU A 120 23.317 1.850 -22.927 1.00 0.00 H new ATOM 0 HA GLU A 120 21.078 1.577 -24.696 1.00 0.00 H new ATOM 0 HB2 GLU A 120 23.017 -0.404 -23.441 1.00 0.00 H new ATOM 0 HB3 GLU A 120 21.799 -0.853 -24.618 1.00 0.00 H new ATOM 0 HG2 GLU A 120 24.101 1.076 -25.075 1.00 0.00 H new ATOM 0 HG3 GLU A 120 24.002 -0.572 -25.664 1.00 0.00 H new ATOM 1576 N GLU A 121 20.818 0.567 -21.595 1.00 0.00 N ATOM 1577 CA GLU A 121 19.836 0.248 -20.566 1.00 0.00 C ATOM 1578 C GLU A 121 18.776 1.337 -20.459 1.00 0.00 C ATOM 1579 O GLU A 121 17.601 1.052 -20.226 1.00 0.00 O ATOM 1580 CB GLU A 121 20.524 0.058 -19.212 1.00 0.00 C ATOM 1581 CG GLU A 121 21.347 -1.217 -19.099 1.00 0.00 C ATOM 1582 CD GLU A 121 22.027 -1.359 -17.766 1.00 0.00 C ATOM 1583 OE1 GLU A 121 21.886 -0.477 -16.952 1.00 0.00 O ATOM 1584 OE2 GLU A 121 22.687 -2.349 -17.560 1.00 0.00 O1- ATOM 0 H GLU A 121 21.759 0.740 -21.240 1.00 0.00 H new ATOM 0 HA GLU A 121 19.345 -0.682 -20.852 1.00 0.00 H new ATOM 0 HB2 GLU A 121 21.174 0.913 -19.025 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.765 0.057 -18.429 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.699 -2.078 -19.264 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.099 -1.229 -19.888 1.00 0.00 H new ATOM 1591 N CYS A 122 19.198 2.585 -20.631 1.00 0.00 N ATOM 1592 CA CYS A 122 18.265 3.701 -20.739 1.00 0.00 C ATOM 1593 C CYS A 122 17.281 3.487 -21.881 1.00 0.00 C ATOM 1594 O CYS A 122 16.074 3.668 -21.715 1.00 0.00 O ATOM 1595 CB CYS A 122 19.019 5.012 -20.960 1.00 0.00 C ATOM 1596 SG CYS A 122 19.921 5.600 -19.507 1.00 0.00 S ATOM 0 H CYS A 122 20.181 2.849 -20.699 1.00 0.00 H new ATOM 0 HA CYS A 122 17.710 3.756 -19.803 1.00 0.00 H new ATOM 0 HB2 CYS A 122 19.723 4.880 -21.782 1.00 0.00 H new ATOM 0 HB3 CYS A 122 18.309 5.779 -21.269 1.00 0.00 H new ATOM 1601 N LYS A 123 17.802 3.102 -23.041 1.00 0.00 N ATOM 1602 CA LYS A 123 16.971 2.874 -24.217 1.00 0.00 C ATOM 1603 C LYS A 123 15.945 1.776 -23.962 1.00 0.00 C ATOM 1604 O LYS A 123 14.745 1.982 -24.139 1.00 0.00 O ATOM 1605 CB LYS A 123 17.838 2.513 -25.424 1.00 0.00 C ATOM 1606 CG LYS A 123 18.686 3.662 -25.954 1.00 0.00 C ATOM 1607 CD LYS A 123 19.613 3.196 -27.067 1.00 0.00 C ATOM 1608 CE LYS A 123 20.554 4.308 -27.506 1.00 0.00 C ATOM 1609 NZ LYS A 123 21.537 3.837 -28.520 1.00 0.00 N1+ ATOM 0 H LYS A 123 18.798 2.941 -23.192 1.00 0.00 H new ATOM 0 HA LYS A 123 16.435 3.799 -24.430 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.496 1.688 -25.150 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.193 2.154 -26.226 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.037 4.455 -26.326 1.00 0.00 H new ATOM 0 HG3 LYS A 123 19.275 4.087 -25.141 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.194 2.340 -26.724 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.022 2.860 -27.919 1.00 0.00 H new ATOM 0 HE2 LYS A 123 19.973 5.133 -27.919 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.086 4.697 -26.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.126 4.636 -28.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.143 3.102 -28.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.030 3.443 -29.338 1.00 0.00 H new ATOM 1623 N GLU A 124 16.426 0.610 -23.545 1.00 0.00 N ATOM 1624 CA GLU A 124 15.584 -0.577 -23.452 1.00 0.00 C ATOM 1625 C GLU A 124 14.564 -0.442 -22.329 1.00 0.00 C ATOM 1626 O GLU A 124 13.445 -0.946 -22.430 1.00 0.00 O ATOM 1627 CB GLU A 124 16.443 -1.824 -23.227 1.00 0.00 C ATOM 1628 CG GLU A 124 17.362 -2.172 -24.389 1.00 0.00 C ATOM 1629 CD GLU A 124 16.618 -2.409 -25.674 1.00 0.00 C ATOM 1630 OE1 GLU A 124 15.715 -3.211 -25.675 1.00 0.00 O ATOM 1631 OE2 GLU A 124 16.954 -1.789 -26.655 1.00 0.00 O1- ATOM 0 H GLU A 124 17.396 0.461 -23.266 1.00 0.00 H new ATOM 0 HA GLU A 124 15.046 -0.678 -24.394 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.048 -1.677 -22.332 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.787 -2.672 -23.032 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.078 -1.363 -24.534 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.935 -3.064 -24.137 1.00 0.00 H new ATOM 1638 N THR A 125 14.956 0.241 -21.259 1.00 0.00 N ATOM 1639 CA THR A 125 14.048 0.517 -20.152 1.00 0.00 C ATOM 1640 C THR A 125 12.881 1.388 -20.600 1.00 0.00 C ATOM 1641 O THR A 125 11.732 1.136 -20.238 1.00 0.00 O ATOM 1642 CB THR A 125 14.787 1.202 -18.987 1.00 0.00 C ATOM 1643 OG1 THR A 125 15.800 0.324 -18.478 1.00 0.00 O ATOM 1644 CG2 THR A 125 13.815 1.551 -17.870 1.00 0.00 C ATOM 0 H THR A 125 15.897 0.614 -21.135 1.00 0.00 H new ATOM 0 HA THR A 125 13.658 -0.441 -19.808 1.00 0.00 H new ATOM 0 HB THR A 125 15.244 2.120 -19.356 1.00 0.00 H new ATOM 0 HG1 THR A 125 16.623 0.437 -18.999 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.355 2.034 -17.056 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.051 2.229 -18.251 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.342 0.641 -17.502 1.00 0.00 H new ATOM 1652 N CYS A 126 13.183 2.413 -21.389 1.00 0.00 N ATOM 1653 CA CYS A 126 12.157 3.308 -21.910 1.00 0.00 C ATOM 1654 C CYS A 126 11.267 2.596 -22.922 1.00 0.00 C ATOM 1655 O CYS A 126 10.080 2.900 -23.041 1.00 0.00 O ATOM 1656 CB CYS A 126 12.793 4.531 -22.570 1.00 0.00 C ATOM 1657 SG CYS A 126 13.599 5.661 -21.410 1.00 0.00 S ATOM 0 H CYS A 126 14.132 2.645 -21.682 1.00 0.00 H new ATOM 0 HA CYS A 126 11.545 3.629 -21.067 1.00 0.00 H new ATOM 0 HB2 CYS A 126 13.527 4.195 -23.302 1.00 0.00 H new ATOM 0 HB3 CYS A 126 12.024 5.076 -23.117 1.00 0.00 H new ATOM 1662 N LYS A 127 11.848 1.648 -23.648 1.00 0.00 N ATOM 1663 CA LYS A 127 11.081 0.793 -24.547 1.00 0.00 C ATOM 1664 C LYS A 127 10.078 -0.055 -23.777 1.00 0.00 C ATOM 1665 O LYS A 127 8.941 -0.237 -24.213 1.00 0.00 O ATOM 1666 CB LYS A 127 12.016 -0.104 -25.360 1.00 0.00 C ATOM 1667 CG LYS A 127 12.831 0.629 -26.416 1.00 0.00 C ATOM 1668 CD LYS A 127 13.761 -0.322 -27.155 1.00 0.00 C ATOM 1669 CE LYS A 127 14.680 0.429 -28.108 1.00 0.00 C ATOM 1670 NZ LYS A 127 15.625 -0.484 -28.805 1.00 0.00 N1+ ATOM 0 H LYS A 127 12.849 1.452 -23.632 1.00 0.00 H new ATOM 0 HA LYS A 127 10.528 1.437 -25.230 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.699 -0.609 -24.677 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.423 -0.878 -25.848 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.160 1.110 -27.127 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.415 1.419 -25.944 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.359 -0.881 -26.435 1.00 0.00 H new ATOM 0 HD3 LYS A 127 13.172 -1.049 -27.713 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.080 0.962 -28.846 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.243 1.179 -27.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 16.266 0.073 -29.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.180 -1.012 -28.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.090 -1.152 -29.396 1.00 0.00 H new ATOM 1684 N GLY A 128 10.505 -0.574 -22.631 1.00 0.00 N ATOM 1685 CA GLY A 128 9.624 -1.348 -21.765 1.00 0.00 C ATOM 1686 C GLY A 128 10.163 -2.756 -21.547 1.00 0.00 C ATOM 1687 O GLY A 128 9.398 -3.713 -21.435 1.00 0.00 O ATOM 0 H GLY A 128 11.457 -0.472 -22.280 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.519 -0.843 -20.805 1.00 0.00 H new ATOM 0 HA3 GLY A 128 8.629 -1.401 -22.208 1.00 0.00 H new ATOM 1691 N PHE A 129 11.485 -2.875 -21.490 1.00 0.00 N ATOM 1692 CA PHE A 129 12.129 -4.168 -21.290 1.00 0.00 C ATOM 1693 C PHE A 129 12.830 -4.231 -19.938 1.00 0.00 C ATOM 1694 O PHE A 129 13.877 -4.864 -19.800 1.00 0.00 O ATOM 1695 CB PHE A 129 13.139 -4.440 -22.406 1.00 0.00 C ATOM 1696 CG PHE A 129 12.519 -4.550 -23.770 1.00 0.00 C ATOM 1697 CD1 PHE A 129 12.706 -3.552 -24.715 1.00 0.00 C ATOM 1698 CD2 PHE A 129 11.746 -5.650 -24.111 1.00 0.00 C ATOM 1699 CE1 PHE A 129 12.136 -3.651 -25.970 1.00 0.00 C ATOM 1700 CE2 PHE A 129 11.176 -5.753 -25.365 1.00 0.00 C ATOM 1701 CZ PHE A 129 11.371 -4.751 -26.295 1.00 0.00 C ATOM 0 H PHE A 129 12.132 -2.091 -21.580 1.00 0.00 H new ATOM 0 HA PHE A 129 11.352 -4.932 -21.313 1.00 0.00 H new ATOM 0 HB2 PHE A 129 13.879 -3.640 -22.417 1.00 0.00 H new ATOM 0 HB3 PHE A 129 13.672 -5.364 -22.184 1.00 0.00 H new ATOM 0 HD1 PHE A 129 13.304 -2.688 -24.467 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.588 -6.436 -23.387 1.00 0.00 H new ATOM 0 HE1 PHE A 129 12.290 -2.867 -26.696 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.578 -6.616 -25.618 1.00 0.00 H new ATOM 0 HZ PHE A 129 10.925 -4.829 -27.275 1.00 0.00 H new ATOM 1711 N SER A 130 12.247 -3.571 -18.944 1.00 0.00 N ATOM 1712 CA SER A 130 12.808 -3.561 -17.598 1.00 0.00 C ATOM 1713 C SER A 130 11.714 -3.421 -16.547 1.00 0.00 C ATOM 1714 O SER A 130 11.071 -4.379 -16.219 1.00 0.00 O ATOM 1715 CB SER A 130 13.805 -2.428 -17.457 1.00 0.00 C ATOM 1716 OG SER A 130 14.329 -2.379 -16.158 1.00 0.00 O ATOM 0 H SER A 130 11.385 -3.035 -19.045 1.00 0.00 H new ATOM 0 HA SER A 130 13.316 -4.512 -17.438 1.00 0.00 H new ATOM 0 HB2 SER A 130 14.615 -2.560 -18.175 1.00 0.00 H new ATOM 0 HB3 SER A 130 13.320 -1.481 -17.693 1.00 0.00 H new ATOM 0 HG SER A 130 14.971 -1.641 -16.092 1.00 0.00 H new TER 1722 SER A 130