USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=32 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 106 TYR OH : rot 180:sc= 0.514 USER MOD Set 1.2: A 110 THR OG1 : rot 2:sc= 0.56 USER MOD Set 2.1: A 36 TYR OH : rot 60:sc= -0.137 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 169:sc= 0.779 (180deg=0) USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= -1.05 F(o=-2.2!,f=-1.6) USER MOD Set 3.2: A 57 HIS :FLIP no HD1:sc= -0.552 X(o=-1.8,f=-1.6) USER MOD Set 4.1: A 35 SER OG : rot 33:sc= 0.926 USER MOD Set 4.2: A 56 ASN : amide:sc= 0.437! C(o=1.4!,f=-11!) USER MOD Set 5.1: A 33 HIS : no HE2:sc= 0.954 K(o=3.3,f=-3.1) USER MOD Set 5.2: A 46 GLN : amide:sc= 2.32 K(o=3.3,f=-0.59) USER MOD Set 6.1: A 29 GLN : amide:sc= 0.94 K(o=2.1,f=-8.5!) USER MOD Set 6.2: A 47 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0) USER MOD Set 7.1: A 14 SER OG : rot 117:sc= 1.15 USER MOD Set 7.2: A 67 SER OG : rot 84:sc= 1.99 USER MOD Single : A 17 SER OG : rot -110:sc= 0.053 USER MOD Single : A 25 THR OG1 : rot 42:sc= 1.23 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 32 THR OG1 : rot 173:sc= 1.24 USER MOD Single : A 37 ASN : amide:sc= -0.139 K(o=-0.14,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.442 USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= 0.429 (180deg=0.0237) USER MOD Single : A 65 ASN : amide:sc= -0.0423 K(o=-0.042,f=-1.8!) USER MOD Single : A 69 ASN : amide:sc= 0.438 K(o=0.44,f=-5.9!) USER MOD Single : A 77 SER OG : rot -74:sc= 1.24 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.8!) USER MOD Single : A 93 TYR OH : rot 23:sc= -0.319 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0233 K(o=-0.023,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 -170:sc= 0 (180deg=-0.0849) USER MOD Single : A 105 THR OG1 : rot 44:sc= 0.682 USER MOD Single : A 112 ASN : amide:sc= -0.0489! C(o=-0.049!,f=-13!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 2.37 (180deg=2.37) USER MOD Single : A 114 ASN : amide:sc= 0.639 K(o=0.64,f=-8.6!) USER MOD Single : A 115 ASN : amide:sc= 0.0241 K(o=0.024,f=-12!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.229 USER MOD Single : A 123 LYS NZ :NH3+ 179:sc= 0.973 (180deg=0.971) USER MOD Single : A 125 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.14) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 -0.154 -0.217 1.114 1.00 0.00 N ATOM 2 CA GLU A 13 1.303 -0.243 1.072 1.00 0.00 C ATOM 3 C GLU A 13 1.875 1.160 0.919 1.00 0.00 C ATOM 4 O GLU A 13 1.238 2.041 0.341 1.00 0.00 O ATOM 5 CB GLU A 13 1.788 -1.129 -0.078 1.00 0.00 C ATOM 6 CG GLU A 13 1.440 -2.603 0.075 1.00 0.00 C ATOM 7 CD GLU A 13 1.933 -3.442 -1.071 1.00 0.00 C ATOM 8 OE1 GLU A 13 1.880 -2.982 -2.186 1.00 0.00 O ATOM 9 OE2 GLU A 13 2.364 -4.546 -0.831 1.00 0.00 O1- ATOM 0 HA GLU A 13 1.655 -0.657 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.358 -0.761 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.870 -1.031 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.869 -2.978 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.358 -2.709 0.158 1.00 0.00 H new ATOM 16 N SER A 14 3.080 1.363 1.442 1.00 0.00 N ATOM 17 CA SER A 14 3.609 2.706 1.650 1.00 0.00 C ATOM 18 C SER A 14 3.913 3.389 0.323 1.00 0.00 C ATOM 19 O SER A 14 3.869 4.615 0.220 1.00 0.00 O ATOM 20 CB SER A 14 4.864 2.647 2.498 1.00 0.00 C ATOM 21 OG SER A 14 5.903 2.004 1.813 1.00 0.00 O ATOM 0 H SER A 14 3.709 0.613 1.730 1.00 0.00 H new ATOM 0 HA SER A 14 2.849 3.290 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.172 3.657 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.654 2.118 3.428 1.00 0.00 H new ATOM 0 HG SER A 14 6.643 2.632 1.677 1.00 0.00 H new ATOM 27 N TRP A 15 4.223 2.589 -0.692 1.00 0.00 N ATOM 28 CA TRP A 15 4.606 3.117 -1.995 1.00 0.00 C ATOM 29 C TRP A 15 3.460 3.892 -2.634 1.00 0.00 C ATOM 30 O TRP A 15 3.675 4.718 -3.521 1.00 0.00 O ATOM 31 CB TRP A 15 5.039 1.982 -2.925 1.00 0.00 C ATOM 32 CG TRP A 15 3.915 1.075 -3.326 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.585 -0.116 -2.752 1.00 0.00 C ATOM 34 CD2 TRP A 15 2.961 1.283 -4.395 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.498 -0.663 -3.388 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.102 0.181 -4.395 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.770 2.302 -5.337 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.062 0.062 -5.304 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.727 2.182 -6.247 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.895 1.091 -6.230 1.00 0.00 C ATOM 0 H TRP A 15 4.216 1.571 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 15 5.443 3.798 -1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.488 2.409 -3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.812 1.393 -2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.103 -0.565 -1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.057 -1.552 -3.151 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.421 3.164 -5.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.406 -0.796 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.569 2.960 -6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.093 1.028 -6.950 1.00 0.00 H new ATOM 51 N VAL A 16 2.243 3.622 -2.177 1.00 0.00 N ATOM 52 CA VAL A 16 1.061 4.302 -2.694 1.00 0.00 C ATOM 53 C VAL A 16 1.106 5.793 -2.386 1.00 0.00 C ATOM 54 O VAL A 16 0.583 6.610 -3.144 1.00 0.00 O ATOM 55 CB VAL A 16 -0.216 3.693 -2.086 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.436 4.513 -2.477 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.368 2.249 -2.540 1.00 0.00 C ATOM 0 H VAL A 16 2.048 2.936 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 16 1.049 4.169 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.133 3.710 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.329 4.068 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.321 5.533 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.533 4.526 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.273 1.825 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.436 2.215 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.497 1.672 -2.212 1.00 0.00 H new ATOM 67 N SER A 17 1.733 6.143 -1.268 1.00 0.00 N ATOM 68 CA SER A 17 1.790 7.530 -0.823 1.00 0.00 C ATOM 69 C SER A 17 2.647 8.374 -1.758 1.00 0.00 C ATOM 70 O SER A 17 2.607 9.603 -1.712 1.00 0.00 O ATOM 71 CB SER A 17 2.343 7.604 0.587 1.00 0.00 C ATOM 72 OG SER A 17 1.462 7.014 1.503 1.00 0.00 O ATOM 0 H SER A 17 2.210 5.484 -0.653 1.00 0.00 H new ATOM 0 HA SER A 17 0.775 7.928 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.309 7.100 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.514 8.645 0.860 1.00 0.00 H new ATOM 0 HG SER A 17 1.065 7.709 2.069 1.00 0.00 H new ATOM 78 N CYS A 18 3.421 7.706 -2.607 1.00 0.00 N ATOM 79 CA CYS A 18 4.249 8.392 -3.591 1.00 0.00 C ATOM 80 C CYS A 18 3.416 8.871 -4.774 1.00 0.00 C ATOM 81 O CYS A 18 3.878 9.672 -5.587 1.00 0.00 O ATOM 82 CB CYS A 18 5.360 7.471 -4.096 1.00 0.00 C ATOM 83 SG CYS A 18 6.528 6.953 -2.816 1.00 0.00 S ATOM 0 H CYS A 18 3.492 6.689 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 18 4.692 9.258 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.908 6.584 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.908 7.981 -4.888 1.00 0.00 H new ATOM 88 N LEU A 19 2.187 8.375 -4.865 1.00 0.00 N ATOM 89 CA LEU A 19 1.253 8.824 -5.891 1.00 0.00 C ATOM 90 C LEU A 19 0.181 9.731 -5.300 1.00 0.00 C ATOM 91 O LEU A 19 -0.437 10.523 -6.012 1.00 0.00 O ATOM 92 CB LEU A 19 0.594 7.619 -6.572 1.00 0.00 C ATOM 93 CG LEU A 19 1.551 6.647 -7.275 1.00 0.00 C ATOM 94 CD1 LEU A 19 0.759 5.482 -7.853 1.00 0.00 C ATOM 95 CD2 LEU A 19 2.313 7.384 -8.366 1.00 0.00 C ATOM 0 H LEU A 19 1.814 7.661 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 19 1.816 9.394 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.029 7.065 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.124 7.987 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 19 2.272 6.252 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.439 4.792 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.239 4.961 -7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.031 5.858 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.993 6.693 -8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.608 7.788 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.885 8.199 -7.923 1.00 0.00 H new ATOM 107 N ASP A 20 -0.036 9.609 -3.995 1.00 0.00 N ATOM 108 CA ASP A 20 -1.017 10.436 -3.302 1.00 0.00 C ATOM 109 C ASP A 20 -0.607 11.903 -3.312 1.00 0.00 C ATOM 110 O ASP A 20 0.573 12.227 -3.448 1.00 0.00 O ATOM 111 CB ASP A 20 -1.195 9.960 -1.858 1.00 0.00 C ATOM 112 CG ASP A 20 -1.941 8.636 -1.758 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.580 8.263 -2.713 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.865 8.011 -0.727 1.00 0.00 O1- ATOM 0 H ASP A 20 0.454 8.945 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.965 10.338 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.215 9.855 -1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.736 10.720 -1.294 1.00 0.00 H new ATOM 119 N PRO A 21 -1.588 12.787 -3.168 1.00 0.00 N ATOM 120 CA PRO A 21 -1.329 14.222 -3.147 1.00 0.00 C ATOM 121 C PRO A 21 -0.310 14.582 -2.073 1.00 0.00 C ATOM 122 O PRO A 21 -0.328 14.027 -0.975 1.00 0.00 O ATOM 123 CB PRO A 21 -2.707 14.817 -2.839 1.00 0.00 C ATOM 124 CG PRO A 21 -3.667 13.813 -3.380 1.00 0.00 C ATOM 125 CD PRO A 21 -3.030 12.483 -3.076 1.00 0.00 C ATOM 0 HA PRO A 21 -0.903 14.597 -4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.847 14.965 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.837 15.789 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.645 13.903 -2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.819 13.945 -4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.305 12.119 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.329 11.717 -3.792 1.00 0.00 H new ATOM 133 N GLU A 22 0.580 15.515 -2.398 1.00 0.00 N ATOM 134 CA GLU A 22 1.648 15.905 -1.486 1.00 0.00 C ATOM 135 C GLU A 22 1.089 16.366 -0.147 1.00 0.00 C ATOM 136 O GLU A 22 0.043 17.012 -0.090 1.00 0.00 O ATOM 137 CB GLU A 22 2.498 17.017 -2.105 1.00 0.00 C ATOM 138 CG GLU A 22 3.417 16.555 -3.227 1.00 0.00 C ATOM 139 CD GLU A 22 2.729 16.503 -4.563 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.590 16.897 -4.639 1.00 0.00 O ATOM 141 OE2 GLU A 22 3.343 16.070 -5.509 1.00 0.00 O1- ATOM 0 H GLU A 22 0.582 16.015 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 22 2.274 15.029 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.836 17.792 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.102 17.474 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.272 17.228 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.807 15.566 -2.986 1.00 0.00 H new ATOM 148 N GLN A 23 1.791 16.030 0.930 1.00 0.00 N ATOM 149 CA GLN A 23 1.466 16.554 2.251 1.00 0.00 C ATOM 150 C GLN A 23 1.773 18.043 2.344 1.00 0.00 C ATOM 151 O GLN A 23 2.863 18.486 1.983 1.00 0.00 O ATOM 152 CB GLN A 23 2.236 15.792 3.333 1.00 0.00 C ATOM 153 CG GLN A 23 2.099 16.383 4.726 1.00 0.00 C ATOM 154 CD GLN A 23 0.692 16.248 5.276 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.107 17.369 5.682 1.00 0.00 O flip ATOM 156 NE2 GLN A 23 0.136 15.148 5.335 1.00 0.00 N flip ATOM 0 H GLN A 23 2.590 15.396 0.914 1.00 0.00 H new ATOM 0 HA GLN A 23 0.397 16.415 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.888 14.759 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.292 15.767 3.063 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.798 15.886 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.376 17.437 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.623 14.312 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.811 15.074 5.707 1.00 0.00 H new ATOM 165 N VAL A 24 0.805 18.812 2.832 1.00 0.00 N ATOM 166 CA VAL A 24 0.960 20.257 2.947 1.00 0.00 C ATOM 167 C VAL A 24 1.815 20.625 4.152 1.00 0.00 C ATOM 168 O VAL A 24 1.581 20.146 5.262 1.00 0.00 O ATOM 169 CB VAL A 24 -0.419 20.933 3.074 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.259 22.429 3.300 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.245 20.661 1.826 1.00 0.00 C ATOM 0 H VAL A 24 -0.096 18.458 3.154 1.00 0.00 H new ATOM 0 HA VAL A 24 1.459 20.610 2.045 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.941 20.515 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.242 22.891 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.305 22.600 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.275 22.869 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.219 21.142 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.728 21.060 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.381 19.586 1.707 1.00 0.00 H new ATOM 181 N THR A 25 2.808 21.479 3.927 1.00 0.00 N ATOM 182 CA THR A 25 3.654 21.972 5.008 1.00 0.00 C ATOM 183 C THR A 25 2.864 22.850 5.969 1.00 0.00 C ATOM 184 O THR A 25 1.959 23.576 5.560 1.00 0.00 O ATOM 185 CB THR A 25 4.856 22.761 4.455 1.00 0.00 C ATOM 186 OG1 THR A 25 5.719 23.141 5.535 1.00 0.00 O ATOM 187 CG2 THR A 25 4.384 24.009 3.725 1.00 0.00 C ATOM 0 H THR A 25 3.047 21.844 3.005 1.00 0.00 H new ATOM 0 HA THR A 25 4.023 21.102 5.551 1.00 0.00 H new ATOM 0 HB THR A 25 5.398 22.126 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.812 22.391 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.246 24.554 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.737 23.723 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.830 24.646 4.414 1.00 0.00 H new ATOM 195 N CYS A 26 3.212 22.778 7.250 1.00 0.00 N ATOM 196 CA CYS A 26 2.472 23.489 8.286 1.00 0.00 C ATOM 197 C CYS A 26 3.359 24.498 9.002 1.00 0.00 C ATOM 198 O CYS A 26 4.564 24.288 9.147 1.00 0.00 O ATOM 199 CB CYS A 26 1.898 22.506 9.307 1.00 0.00 C ATOM 200 SG CYS A 26 0.824 21.240 8.591 1.00 0.00 S ATOM 0 H CYS A 26 4.003 22.234 7.595 1.00 0.00 H new ATOM 0 HA CYS A 26 1.656 24.023 7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.722 22.017 9.827 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.335 23.064 10.055 1.00 0.00 H new ATOM 205 N GLU A 27 2.757 25.595 9.450 1.00 0.00 N ATOM 206 CA GLU A 27 3.492 26.639 10.153 1.00 0.00 C ATOM 207 C GLU A 27 3.801 26.226 11.587 1.00 0.00 C ATOM 208 O GLU A 27 3.188 26.723 12.532 1.00 0.00 O ATOM 209 CB GLU A 27 2.696 27.946 10.149 1.00 0.00 C ATOM 210 CG GLU A 27 2.478 28.545 8.767 1.00 0.00 C ATOM 211 CD GLU A 27 1.700 29.832 8.803 1.00 0.00 C ATOM 212 OE1 GLU A 27 1.262 30.210 9.863 1.00 0.00 O ATOM 213 OE2 GLU A 27 1.544 30.437 7.769 1.00 0.00 O1- ATOM 0 H GLU A 27 1.761 25.784 9.338 1.00 0.00 H new ATOM 0 HA GLU A 27 4.436 26.792 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.725 27.767 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.216 28.676 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.445 28.724 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.949 27.824 8.143 1.00 0.00 H new ATOM 220 N SER A 28 4.754 25.314 11.742 1.00 0.00 N ATOM 221 CA SER A 28 5.123 24.807 13.058 1.00 0.00 C ATOM 222 C SER A 28 6.608 24.473 13.124 1.00 0.00 C ATOM 223 O SER A 28 7.192 24.005 12.147 1.00 0.00 O ATOM 224 CB SER A 28 4.303 23.576 13.392 1.00 0.00 C ATOM 225 OG SER A 28 4.696 23.029 14.621 1.00 0.00 O ATOM 0 H SER A 28 5.286 24.910 10.971 1.00 0.00 H new ATOM 0 HA SER A 28 4.916 25.589 13.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.246 23.838 13.428 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.420 22.832 12.604 1.00 0.00 H new ATOM 0 HG SER A 28 4.152 22.237 14.816 1.00 0.00 H new ATOM 231 N GLN A 29 7.213 24.717 14.281 1.00 0.00 N ATOM 232 CA GLN A 29 8.627 24.425 14.483 1.00 0.00 C ATOM 233 C GLN A 29 8.817 23.221 15.396 1.00 0.00 C ATOM 234 O GLN A 29 9.913 22.980 15.902 1.00 0.00 O ATOM 235 CB GLN A 29 9.348 25.643 15.067 1.00 0.00 C ATOM 236 CG GLN A 29 9.250 26.894 14.211 1.00 0.00 C ATOM 237 CD GLN A 29 9.904 26.719 12.854 1.00 0.00 C ATOM 238 OE1 GLN A 29 11.048 26.269 12.754 1.00 0.00 O ATOM 239 NE2 GLN A 29 9.179 27.075 11.799 1.00 0.00 N ATOM 0 H GLN A 29 6.745 25.117 15.094 1.00 0.00 H new ATOM 0 HA GLN A 29 9.059 24.188 13.511 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.935 25.858 16.053 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.400 25.395 15.209 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.201 27.156 14.074 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.721 27.726 14.734 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.236 27.443 11.929 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.565 26.981 10.860 1.00 0.00 H new ATOM 248 N GLU A 30 7.742 22.467 15.604 1.00 0.00 N ATOM 249 CA GLU A 30 7.769 21.330 16.515 1.00 0.00 C ATOM 250 C GLU A 30 8.626 20.199 15.960 1.00 0.00 C ATOM 251 O GLU A 30 9.250 19.453 16.715 1.00 0.00 O ATOM 252 CB GLU A 30 6.349 20.824 16.779 1.00 0.00 C ATOM 253 CG GLU A 30 5.489 21.769 17.606 1.00 0.00 C ATOM 254 CD GLU A 30 4.118 21.219 17.886 1.00 0.00 C ATOM 255 OE1 GLU A 30 3.824 20.144 17.421 1.00 0.00 O ATOM 256 OE2 GLU A 30 3.364 21.874 18.566 1.00 0.00 O1- ATOM 0 H GLU A 30 6.841 22.624 15.153 1.00 0.00 H new ATOM 0 HA GLU A 30 8.210 21.666 17.453 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.856 20.646 15.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.408 19.864 17.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.992 21.977 18.551 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.393 22.719 17.080 1.00 0.00 H new ATOM 263 N GLY A 31 8.652 20.078 14.638 1.00 0.00 N ATOM 264 CA GLY A 31 9.440 19.043 13.978 1.00 0.00 C ATOM 265 C GLY A 31 9.240 19.076 12.469 1.00 0.00 C ATOM 266 O GLY A 31 8.596 19.981 11.938 1.00 0.00 O ATOM 0 H GLY A 31 8.136 20.685 14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.496 19.182 14.211 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.155 18.064 14.364 1.00 0.00 H new ATOM 270 N THR A 32 9.795 18.084 11.782 1.00 0.00 N ATOM 271 CA THR A 32 9.718 18.022 10.327 1.00 0.00 C ATOM 272 C THR A 32 9.207 16.665 9.859 1.00 0.00 C ATOM 273 O THR A 32 9.032 15.747 10.660 1.00 0.00 O ATOM 274 CB THR A 32 11.089 18.307 9.687 1.00 0.00 C ATOM 275 OG1 THR A 32 12.005 17.257 10.024 1.00 0.00 O ATOM 276 CG2 THR A 32 11.643 19.635 10.181 1.00 0.00 C ATOM 0 H THR A 32 10.304 17.311 12.210 1.00 0.00 H new ATOM 0 HA THR A 32 9.014 18.790 10.008 1.00 0.00 H new ATOM 0 HB THR A 32 10.964 18.357 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.838 17.376 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.612 19.820 9.718 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.955 20.438 9.915 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.759 19.600 11.264 1.00 0.00 H new ATOM 284 N HIS A 33 8.970 16.545 8.557 1.00 0.00 N ATOM 285 CA HIS A 33 8.582 15.271 7.964 1.00 0.00 C ATOM 286 C HIS A 33 8.954 15.215 6.488 1.00 0.00 C ATOM 287 O HIS A 33 9.200 16.245 5.860 1.00 0.00 O ATOM 288 CB HIS A 33 7.077 15.034 8.126 1.00 0.00 C ATOM 289 CG HIS A 33 6.229 16.087 7.484 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.897 17.265 8.120 1.00 0.00 N ATOM 291 CD2 HIS A 33 5.646 16.141 6.263 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.145 17.998 7.317 1.00 0.00 C ATOM 293 NE2 HIS A 33 4.978 17.339 6.185 1.00 0.00 N ATOM 0 H HIS A 33 9.040 17.315 7.892 1.00 0.00 H new ATOM 0 HA HIS A 33 9.125 14.486 8.489 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.823 14.064 7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.838 14.986 9.188 1.00 0.00 H new ATOM 0 HD1 HIS A 33 6.186 17.529 9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.697 15.384 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.737 18.971 7.548 1.00 0.00 H new ATOM 301 N ALA A 34 8.995 14.006 5.939 1.00 0.00 N ATOM 302 CA ALA A 34 9.354 13.812 4.539 1.00 0.00 C ATOM 303 C ALA A 34 8.113 13.721 3.659 1.00 0.00 C ATOM 304 O ALA A 34 7.052 13.289 4.109 1.00 0.00 O ATOM 305 CB ALA A 34 10.208 12.563 4.379 1.00 0.00 C ATOM 0 H ALA A 34 8.784 13.145 6.443 1.00 0.00 H new ATOM 0 HA ALA A 34 9.932 14.678 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.468 12.432 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.119 12.667 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.650 11.694 4.726 1.00 0.00 H new ATOM 311 N SER A 35 8.254 14.130 2.403 1.00 0.00 N ATOM 312 CA SER A 35 7.181 13.987 1.426 1.00 0.00 C ATOM 313 C SER A 35 7.736 13.867 0.012 1.00 0.00 C ATOM 314 O SER A 35 8.739 14.495 -0.326 1.00 0.00 O ATOM 315 CB SER A 35 6.237 15.170 1.510 1.00 0.00 C ATOM 316 OG SER A 35 5.208 15.060 0.565 1.00 0.00 O ATOM 0 H SER A 35 9.102 14.564 2.037 1.00 0.00 H new ATOM 0 HA SER A 35 6.635 13.072 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.811 15.229 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.791 16.094 1.344 1.00 0.00 H new ATOM 0 HG SER A 35 4.986 14.115 0.431 1.00 0.00 H new ATOM 322 N TYR A 36 7.078 13.057 -0.809 1.00 0.00 N ATOM 323 CA TYR A 36 7.540 12.803 -2.169 1.00 0.00 C ATOM 324 C TYR A 36 6.968 13.823 -3.144 1.00 0.00 C ATOM 325 O TYR A 36 5.755 13.897 -3.340 1.00 0.00 O ATOM 326 CB TYR A 36 7.167 11.385 -2.605 1.00 0.00 C ATOM 327 CG TYR A 36 7.495 11.085 -4.051 1.00 0.00 C ATOM 328 CD1 TYR A 36 8.809 10.859 -4.432 1.00 0.00 C ATOM 329 CD2 TYR A 36 6.481 11.036 -4.996 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.108 10.585 -5.753 1.00 0.00 C ATOM 331 CE2 TYR A 36 6.780 10.762 -6.317 1.00 0.00 C ATOM 332 CZ TYR A 36 8.088 10.538 -6.696 1.00 0.00 C ATOM 333 OH TYR A 36 8.386 10.265 -8.011 1.00 0.00 O ATOM 0 H TYR A 36 6.222 12.564 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 36 8.626 12.899 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.688 10.670 -1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.099 11.235 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.599 10.897 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.458 11.212 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.131 10.408 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.990 10.723 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 36 8.811 9.384 -8.074 1.00 0.00 H new ATOM 343 N ASN A 37 7.849 14.609 -3.755 1.00 0.00 N ATOM 344 CA ASN A 37 7.432 15.629 -4.711 1.00 0.00 C ATOM 345 C ASN A 37 7.269 15.041 -6.106 1.00 0.00 C ATOM 346 O ASN A 37 8.253 14.748 -6.786 1.00 0.00 O ATOM 347 CB ASN A 37 8.421 16.780 -4.728 1.00 0.00 C ATOM 348 CG ASN A 37 7.959 17.926 -5.585 1.00 0.00 C ATOM 349 OD1 ASN A 37 7.209 17.733 -6.548 1.00 0.00 O ATOM 350 ND2 ASN A 37 8.392 19.115 -5.252 1.00 0.00 N ATOM 0 H ASN A 37 8.857 14.559 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 37 6.462 16.011 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.579 17.134 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.383 16.422 -5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.111 19.931 -5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.010 19.226 -4.448 1.00 0.00 H new ATOM 357 N ARG A 38 6.021 14.872 -6.529 1.00 0.00 N ATOM 358 CA ARG A 38 5.719 14.124 -7.744 1.00 0.00 C ATOM 359 C ARG A 38 6.117 14.909 -8.987 1.00 0.00 C ATOM 360 O ARG A 38 6.245 14.346 -10.074 1.00 0.00 O ATOM 361 CB ARG A 38 4.236 13.790 -7.812 1.00 0.00 C ATOM 362 CG ARG A 38 3.741 12.855 -6.720 1.00 0.00 C ATOM 363 CD ARG A 38 2.263 12.710 -6.750 1.00 0.00 C ATOM 364 NE ARG A 38 1.588 13.980 -6.536 1.00 0.00 N ATOM 365 CZ ARG A 38 0.257 14.165 -6.631 1.00 0.00 C ATOM 366 NH1 ARG A 38 -0.527 13.155 -6.937 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 -0.261 15.362 -6.417 1.00 0.00 N ATOM 0 H ARG A 38 5.202 15.243 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 38 6.297 13.200 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.667 14.718 -7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.024 13.338 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.205 11.876 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.050 13.236 -5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.959 12.295 -7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.952 12.000 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 38 2.163 14.788 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.128 12.231 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.535 13.295 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.347 16.146 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.269 15.502 -6.489 1.00 0.00 H new ATOM 381 N LYS A 39 6.311 16.213 -8.821 1.00 0.00 N ATOM 382 CA LYS A 39 6.620 17.091 -9.943 1.00 0.00 C ATOM 383 C LYS A 39 8.086 16.979 -10.342 1.00 0.00 C ATOM 384 O LYS A 39 8.458 17.297 -11.471 1.00 0.00 O ATOM 385 CB LYS A 39 6.278 18.542 -9.598 1.00 0.00 C ATOM 386 CG LYS A 39 4.788 18.819 -9.452 1.00 0.00 C ATOM 387 CD LYS A 39 4.529 20.277 -9.105 1.00 0.00 C ATOM 388 CE LYS A 39 3.040 20.558 -8.966 1.00 0.00 C ATOM 389 NZ LYS A 39 2.772 21.973 -8.592 1.00 0.00 N1+ ATOM 0 H LYS A 39 6.260 16.686 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 39 6.011 16.776 -10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.778 18.809 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.682 19.192 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.276 18.568 -10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.371 18.178 -8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.037 20.527 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.951 20.918 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.539 20.331 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.615 19.897 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.746 22.121 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.228 22.184 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.154 22.604 -9.325 1.00 0.00 H new ATOM 403 N THR A 40 8.915 16.526 -9.408 1.00 0.00 N ATOM 404 CA THR A 40 10.350 16.418 -9.643 1.00 0.00 C ATOM 405 C THR A 40 10.809 14.967 -9.593 1.00 0.00 C ATOM 406 O THR A 40 11.825 14.606 -10.188 1.00 0.00 O ATOM 407 CB THR A 40 11.144 17.248 -8.618 1.00 0.00 C ATOM 408 OG1 THR A 40 10.901 16.742 -7.299 1.00 0.00 O ATOM 409 CG2 THR A 40 10.731 18.710 -8.680 1.00 0.00 C ATOM 0 H THR A 40 8.617 16.227 -8.479 1.00 0.00 H new ATOM 0 HA THR A 40 10.544 16.812 -10.641 1.00 0.00 H new ATOM 0 HB THR A 40 12.205 17.171 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.408 17.270 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.303 19.281 -7.948 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.926 19.101 -9.679 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.668 18.797 -8.458 1.00 0.00 H new ATOM 417 N GLY A 41 10.055 14.137 -8.880 1.00 0.00 N ATOM 418 CA GLY A 41 10.418 12.737 -8.698 1.00 0.00 C ATOM 419 C GLY A 41 11.429 12.572 -7.571 1.00 0.00 C ATOM 420 O GLY A 41 12.247 11.652 -7.588 1.00 0.00 O ATOM 0 H GLY A 41 9.188 14.410 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.525 12.153 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.835 12.343 -9.625 1.00 0.00 H new ATOM 424 N GLN A 42 11.367 13.468 -6.592 1.00 0.00 N ATOM 425 CA GLN A 42 12.340 13.483 -5.505 1.00 0.00 C ATOM 426 C GLN A 42 11.656 13.664 -4.156 1.00 0.00 C ATOM 427 O GLN A 42 10.605 14.298 -4.062 1.00 0.00 O ATOM 428 CB GLN A 42 13.369 14.596 -5.723 1.00 0.00 C ATOM 429 CG GLN A 42 14.208 14.431 -6.979 1.00 0.00 C ATOM 430 CD GLN A 42 15.247 15.526 -7.129 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.172 16.566 -6.469 1.00 0.00 O ATOM 432 NE2 GLN A 42 16.224 15.298 -7.999 1.00 0.00 N ATOM 0 H GLN A 42 10.653 14.194 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 42 12.852 12.521 -5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.848 15.553 -5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.032 14.636 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.706 13.462 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.555 14.432 -7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.246 14.423 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.952 15.998 -8.143 1.00 0.00 H new ATOM 441 N CYS A 43 12.259 13.104 -3.113 1.00 0.00 N ATOM 442 CA CYS A 43 11.744 13.256 -1.758 1.00 0.00 C ATOM 443 C CYS A 43 12.329 14.489 -1.081 1.00 0.00 C ATOM 444 O CYS A 43 13.535 14.728 -1.142 1.00 0.00 O ATOM 445 CB CYS A 43 12.065 12.019 -0.918 1.00 0.00 C ATOM 446 SG CYS A 43 11.255 10.507 -1.491 1.00 0.00 S ATOM 0 H CYS A 43 13.106 12.540 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 43 10.663 13.374 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.144 11.863 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.770 12.208 0.114 1.00 0.00 H new ATOM 451 N GLU A 44 11.468 15.269 -0.437 1.00 0.00 N ATOM 452 CA GLU A 44 11.887 16.514 0.195 1.00 0.00 C ATOM 453 C GLU A 44 11.454 16.565 1.654 1.00 0.00 C ATOM 454 O GLU A 44 10.410 16.027 2.021 1.00 0.00 O ATOM 455 CB GLU A 44 11.311 17.715 -0.560 1.00 0.00 C ATOM 456 CG GLU A 44 11.797 17.847 -1.996 1.00 0.00 C ATOM 457 CD GLU A 44 11.190 19.020 -2.714 1.00 0.00 C ATOM 458 OE1 GLU A 44 9.990 19.148 -2.695 1.00 0.00 O ATOM 459 OE2 GLU A 44 11.929 19.790 -3.282 1.00 0.00 O1- ATOM 0 H GLU A 44 10.474 15.061 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 44 12.976 16.556 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.224 17.639 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.566 18.626 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.882 17.948 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.560 16.933 -2.540 1.00 0.00 H new ATOM 466 N GLU A 45 12.264 17.214 2.484 1.00 0.00 N ATOM 467 CA GLU A 45 11.933 17.395 3.892 1.00 0.00 C ATOM 468 C GLU A 45 11.355 18.780 4.150 1.00 0.00 C ATOM 469 O GLU A 45 11.858 19.779 3.635 1.00 0.00 O ATOM 470 CB GLU A 45 13.173 17.179 4.763 1.00 0.00 C ATOM 471 CG GLU A 45 12.915 17.278 6.260 1.00 0.00 C ATOM 472 CD GLU A 45 14.151 17.044 7.083 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.192 16.829 6.510 1.00 0.00 O ATOM 474 OE2 GLU A 45 14.053 17.079 8.287 1.00 0.00 O1- ATOM 0 H GLU A 45 13.155 17.624 2.205 1.00 0.00 H new ATOM 0 HA GLU A 45 11.177 16.654 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.590 16.196 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.928 17.915 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.513 18.265 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.154 16.550 6.541 1.00 0.00 H new ATOM 481 N GLN A 46 10.295 18.835 4.949 1.00 0.00 N ATOM 482 CA GLN A 46 9.598 20.088 5.213 1.00 0.00 C ATOM 483 C GLN A 46 9.115 20.156 6.656 1.00 0.00 C ATOM 484 O GLN A 46 8.915 19.128 7.303 1.00 0.00 O ATOM 485 CB GLN A 46 8.414 20.253 4.257 1.00 0.00 C ATOM 486 CG GLN A 46 7.341 19.188 4.404 1.00 0.00 C ATOM 487 CD GLN A 46 6.240 19.329 3.370 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.414 19.992 2.344 1.00 0.00 O ATOM 489 NE2 GLN A 46 5.097 18.706 3.636 1.00 0.00 N ATOM 0 H GLN A 46 9.899 18.025 5.426 1.00 0.00 H new ATOM 0 HA GLN A 46 10.304 20.903 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.963 21.232 4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.785 20.240 3.232 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.797 18.202 4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.908 19.248 5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.998 18.169 4.497 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.319 18.765 2.979 1.00 0.00 H new ATOM 498 N LYS A 47 8.929 21.373 7.155 1.00 0.00 N ATOM 499 CA LYS A 47 8.457 21.578 8.520 1.00 0.00 C ATOM 500 C LYS A 47 6.942 21.443 8.605 1.00 0.00 C ATOM 501 O LYS A 47 6.229 21.728 7.643 1.00 0.00 O ATOM 502 CB LYS A 47 8.893 22.949 9.037 1.00 0.00 C ATOM 503 CG LYS A 47 10.399 23.112 9.198 1.00 0.00 C ATOM 504 CD LYS A 47 10.754 24.503 9.698 1.00 0.00 C ATOM 505 CE LYS A 47 12.256 24.655 9.896 1.00 0.00 C ATOM 506 NZ LYS A 47 12.617 26.006 10.405 1.00 0.00 N1+ ATOM 0 H LYS A 47 9.098 22.234 6.634 1.00 0.00 H new ATOM 0 HA LYS A 47 8.903 20.806 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.528 23.715 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.415 23.129 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.775 22.365 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.891 22.930 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.402 25.249 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.240 24.695 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.608 23.898 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.766 24.476 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.637 26.040 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.381 26.722 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.085 26.202 11.277 1.00 0.00 H new ATOM 520 N GLY A 48 6.456 21.007 9.762 1.00 0.00 N ATOM 521 CA GLY A 48 5.023 20.970 10.026 1.00 0.00 C ATOM 522 C GLY A 48 4.642 19.732 10.827 1.00 0.00 C ATOM 523 O GLY A 48 5.502 18.938 11.208 1.00 0.00 O ATOM 0 H GLY A 48 7.035 20.674 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.728 21.865 10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.477 20.979 9.083 1.00 0.00 H new ATOM 527 N THR A 49 3.347 19.572 11.080 1.00 0.00 N ATOM 528 CA THR A 49 2.854 18.452 11.872 1.00 0.00 C ATOM 529 C THR A 49 1.846 17.623 11.086 1.00 0.00 C ATOM 530 O THR A 49 0.970 16.981 11.665 1.00 0.00 O ATOM 531 CB THR A 49 2.211 18.940 13.184 1.00 0.00 C ATOM 532 OG1 THR A 49 1.141 19.846 12.886 1.00 0.00 O ATOM 533 CG2 THR A 49 3.241 19.646 14.052 1.00 0.00 C ATOM 0 H THR A 49 2.620 20.205 10.747 1.00 0.00 H new ATOM 0 HA THR A 49 3.713 17.825 12.113 1.00 0.00 H new ATOM 0 HB THR A 49 1.825 18.076 13.726 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.731 20.155 13.721 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.769 19.984 14.975 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.050 18.956 14.290 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.643 20.505 13.514 1.00 0.00 H new ATOM 541 N GLU A 50 1.976 17.641 9.764 1.00 0.00 N ATOM 542 CA GLU A 50 1.057 16.917 8.894 1.00 0.00 C ATOM 543 C GLU A 50 -0.384 17.345 9.136 1.00 0.00 C ATOM 544 O GLU A 50 -1.173 16.601 9.720 1.00 0.00 O ATOM 545 CB GLU A 50 1.195 15.408 9.111 1.00 0.00 C ATOM 546 CG GLU A 50 2.589 14.859 8.842 1.00 0.00 C ATOM 547 CD GLU A 50 2.688 13.376 9.072 1.00 0.00 C ATOM 548 OE1 GLU A 50 1.751 12.809 9.581 1.00 0.00 O ATOM 549 OE2 GLU A 50 3.703 12.810 8.739 1.00 0.00 O1- ATOM 0 H GLU A 50 2.710 18.150 9.271 1.00 0.00 H new ATOM 0 HA GLU A 50 1.317 17.156 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.918 15.174 10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.484 14.894 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.869 15.081 7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.306 15.370 9.485 1.00 0.00 H new ATOM 556 N CYS A 51 -0.723 18.547 8.683 1.00 0.00 N ATOM 557 CA CYS A 51 -2.023 19.139 8.979 1.00 0.00 C ATOM 558 C CYS A 51 -2.752 19.532 7.700 1.00 0.00 C ATOM 559 O CYS A 51 -2.985 20.714 7.446 1.00 0.00 O ATOM 560 CB CYS A 51 -1.863 20.371 9.868 1.00 0.00 C ATOM 561 SG CYS A 51 -1.085 21.781 9.044 1.00 0.00 S ATOM 0 H CYS A 51 -0.115 19.131 8.109 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.613 18.388 9.504 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.845 20.673 10.232 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.269 20.101 10.741 1.00 0.00 H new ATOM 566 N GLY A 52 -3.110 18.535 6.899 1.00 0.00 N ATOM 567 CA GLY A 52 -3.869 18.770 5.676 1.00 0.00 C ATOM 568 C GLY A 52 -3.079 18.341 4.446 1.00 0.00 C ATOM 569 O GLY A 52 -1.848 18.307 4.468 1.00 0.00 O ATOM 0 H GLY A 52 -2.887 17.555 7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.809 18.220 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.121 19.828 5.599 1.00 0.00 H new ATOM 573 N GLY A 53 -3.793 18.014 3.375 1.00 0.00 N ATOM 574 CA GLY A 53 -3.165 17.504 2.162 1.00 0.00 C ATOM 575 C GLY A 53 -3.545 16.049 1.915 1.00 0.00 C ATOM 576 O GLY A 53 -4.608 15.595 2.338 1.00 0.00 O ATOM 0 H GLY A 53 -4.809 18.093 3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.468 18.112 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.082 17.591 2.246 1.00 0.00 H new ATOM 580 N GLY A 54 -2.670 15.323 1.228 1.00 0.00 N ATOM 581 CA GLY A 54 -2.891 13.906 0.963 1.00 0.00 C ATOM 582 C GLY A 54 -2.201 13.036 2.006 1.00 0.00 C ATOM 583 O GLY A 54 -1.853 13.507 3.089 1.00 0.00 O ATOM 0 H GLY A 54 -1.800 15.693 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.961 13.696 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.515 13.656 -0.029 1.00 0.00 H new ATOM 587 N GLU A 55 -2.005 11.765 1.673 1.00 0.00 N ATOM 588 CA GLU A 55 -1.294 10.844 2.551 1.00 0.00 C ATOM 589 C GLU A 55 0.183 10.764 2.186 1.00 0.00 C ATOM 590 O GLU A 55 0.908 9.899 2.677 1.00 0.00 O ATOM 591 CB GLU A 55 -1.921 9.450 2.483 1.00 0.00 C ATOM 592 CG GLU A 55 -3.366 9.387 2.960 1.00 0.00 C ATOM 593 CD GLU A 55 -3.516 9.724 4.417 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.680 9.323 5.190 1.00 0.00 O ATOM 595 OE2 GLU A 55 -4.469 10.385 4.758 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.329 11.349 0.800 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.377 11.225 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.875 9.094 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.322 8.766 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.969 10.076 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.759 8.386 2.781 1.00 0.00 H new ATOM 602 N ASN A 56 0.623 11.673 1.322 1.00 0.00 N ATOM 603 CA ASN A 56 2.005 11.681 0.857 1.00 0.00 C ATOM 604 C ASN A 56 2.940 12.251 1.917 1.00 0.00 C ATOM 605 O ASN A 56 3.354 13.407 1.836 1.00 0.00 O ATOM 606 CB ASN A 56 2.128 12.462 -0.439 1.00 0.00 C ATOM 607 CG ASN A 56 3.525 12.443 -0.995 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.506 12.420 -0.243 1.00 0.00 O ATOM 609 ND2 ASN A 56 3.634 12.451 -2.299 1.00 0.00 N ATOM 0 H ASN A 56 0.042 12.414 0.930 1.00 0.00 H new ATOM 0 HA ASN A 56 2.301 10.649 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.442 12.046 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.823 13.494 -0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.557 12.438 -2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.796 12.470 -2.881 1.00 0.00 H new ATOM 616 N HIS A 57 3.268 11.432 2.910 1.00 0.00 N ATOM 617 CA HIS A 57 4.212 11.828 3.949 1.00 0.00 C ATOM 618 C HIS A 57 4.918 10.616 4.542 1.00 0.00 C ATOM 619 O HIS A 57 4.348 9.528 4.618 1.00 0.00 O ATOM 620 CB HIS A 57 3.499 12.605 5.061 1.00 0.00 C ATOM 621 CG HIS A 57 2.386 11.842 5.709 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.048 11.870 5.504 1.00 0.00 N flip ATOM 623 CD2 HIS A 57 2.603 10.913 6.705 1.00 0.00 C flip ATOM 624 CE1 HIS A 57 0.487 10.965 6.372 1.00 0.00 C flip ATOM 625 NE2 HIS A 57 1.444 10.402 7.086 1.00 0.00 N flip ATOM 0 H HIS A 57 2.894 10.489 3.018 1.00 0.00 H new ATOM 0 HA HIS A 57 4.959 12.473 3.486 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.228 12.884 5.822 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.100 13.531 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.568 10.645 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.568 10.749 6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.312 9.694 7.808 1.00 0.00 H new ATOM 633 N PHE A 58 6.164 10.811 4.962 1.00 0.00 N ATOM 634 CA PHE A 58 6.983 9.714 5.464 1.00 0.00 C ATOM 635 C PHE A 58 7.762 10.131 6.705 1.00 0.00 C ATOM 636 O PHE A 58 8.046 11.312 6.903 1.00 0.00 O ATOM 637 CB PHE A 58 7.955 9.235 4.383 1.00 0.00 C ATOM 638 CG PHE A 58 7.280 8.781 3.120 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.043 9.673 2.084 1.00 0.00 C ATOM 640 CD2 PHE A 58 6.880 7.463 2.964 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.422 9.257 0.922 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.261 7.044 1.803 1.00 0.00 C ATOM 643 CZ PHE A 58 6.032 7.942 0.781 1.00 0.00 C ATOM 0 H PHE A 58 6.629 11.719 4.965 1.00 0.00 H new ATOM 0 HA PHE A 58 6.313 8.897 5.734 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.646 10.044 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.551 8.414 4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.347 10.704 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.055 6.755 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.242 9.962 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.956 6.014 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.548 7.616 -0.128 1.00 0.00 H new ATOM 653 N GLU A 59 8.105 9.155 7.538 1.00 0.00 N ATOM 654 CA GLU A 59 8.849 9.419 8.763 1.00 0.00 C ATOM 655 C GLU A 59 10.250 9.933 8.457 1.00 0.00 C ATOM 656 O GLU A 59 10.734 10.864 9.100 1.00 0.00 O ATOM 657 CB GLU A 59 8.935 8.153 9.619 1.00 0.00 C ATOM 658 CG GLU A 59 7.615 7.727 10.246 1.00 0.00 C ATOM 659 CD GLU A 59 7.680 6.365 10.878 1.00 0.00 C ATOM 660 OE1 GLU A 59 8.450 5.555 10.420 1.00 0.00 O ATOM 661 OE2 GLU A 59 6.959 6.135 11.820 1.00 0.00 O1- ATOM 0 H GLU A 59 7.879 8.172 7.386 1.00 0.00 H new ATOM 0 HA GLU A 59 8.314 10.190 9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.310 7.337 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.665 8.314 10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.324 8.458 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.838 7.731 9.482 1.00 0.00 H new ATOM 668 N THR A 60 10.897 9.320 7.472 1.00 0.00 N ATOM 669 CA THR A 60 12.240 9.722 7.070 1.00 0.00 C ATOM 670 C THR A 60 12.347 9.850 5.556 1.00 0.00 C ATOM 671 O THR A 60 11.492 9.358 4.820 1.00 0.00 O ATOM 672 CB THR A 60 13.294 8.722 7.580 1.00 0.00 C ATOM 673 OG1 THR A 60 13.108 7.456 6.933 1.00 0.00 O ATOM 674 CG2 THR A 60 13.172 8.540 9.085 1.00 0.00 C ATOM 0 H THR A 60 10.513 8.542 6.936 1.00 0.00 H new ATOM 0 HA THR A 60 12.433 10.697 7.519 1.00 0.00 H new ATOM 0 HB THR A 60 14.285 9.113 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.780 6.821 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.925 7.830 9.428 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.325 9.499 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.179 8.161 9.326 1.00 0.00 H new ATOM 682 N LEU A 61 13.402 10.515 5.097 1.00 0.00 N ATOM 683 CA LEU A 61 13.659 10.650 3.668 1.00 0.00 C ATOM 684 C LEU A 61 14.037 9.311 3.048 1.00 0.00 C ATOM 685 O LEU A 61 13.735 9.048 1.883 1.00 0.00 O ATOM 686 CB LEU A 61 14.781 11.667 3.426 1.00 0.00 C ATOM 687 CG LEU A 61 14.429 13.130 3.727 1.00 0.00 C ATOM 688 CD1 LEU A 61 15.687 13.983 3.641 1.00 0.00 C ATOM 689 CD2 LEU A 61 13.374 13.611 2.742 1.00 0.00 C ATOM 0 H LEU A 61 14.093 10.969 5.694 1.00 0.00 H new ATOM 0 HA LEU A 61 12.742 11.002 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.639 11.386 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.094 11.595 2.384 1.00 0.00 H new ATOM 0 HG LEU A 61 14.023 13.216 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.437 15.022 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.417 13.628 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.108 13.910 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.124 14.650 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.762 13.532 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.480 12.995 2.837 1.00 0.00 H new ATOM 701 N LEU A 62 14.699 8.467 3.832 1.00 0.00 N ATOM 702 CA LEU A 62 15.046 7.122 3.389 1.00 0.00 C ATOM 703 C LEU A 62 13.802 6.259 3.219 1.00 0.00 C ATOM 704 O LEU A 62 13.698 5.482 2.270 1.00 0.00 O ATOM 705 CB LEU A 62 15.999 6.462 4.394 1.00 0.00 C ATOM 706 CG LEU A 62 17.407 7.068 4.471 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.176 6.422 5.616 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.123 6.860 3.145 1.00 0.00 C ATOM 0 H LEU A 62 15.006 8.691 4.778 1.00 0.00 H new ATOM 0 HA LEU A 62 15.541 7.207 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.546 6.514 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.091 5.406 4.140 1.00 0.00 H new ATOM 0 HG LEU A 62 17.342 8.139 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.176 6.852 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.651 6.602 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.252 5.348 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.123 7.290 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.198 5.793 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.561 7.347 2.348 1.00 0.00 H new ATOM 720 N LYS A 63 12.859 6.401 4.145 1.00 0.00 N ATOM 721 CA LYS A 63 11.575 5.718 4.042 1.00 0.00 C ATOM 722 C LYS A 63 10.813 6.163 2.800 1.00 0.00 C ATOM 723 O LYS A 63 10.191 5.349 2.117 1.00 0.00 O ATOM 724 CB LYS A 63 10.733 5.969 5.294 1.00 0.00 C ATOM 725 CG LYS A 63 9.411 5.212 5.325 1.00 0.00 C ATOM 726 CD LYS A 63 8.705 5.388 6.661 1.00 0.00 C ATOM 727 CE LYS A 63 7.414 4.585 6.715 1.00 0.00 C ATOM 728 NZ LYS A 63 6.756 4.679 8.047 1.00 0.00 N1+ ATOM 0 H LYS A 63 12.960 6.984 4.976 1.00 0.00 H new ATOM 0 HA LYS A 63 11.771 4.649 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.317 5.692 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.528 7.037 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.767 5.568 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.592 4.153 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.366 5.072 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.486 6.443 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.730 4.945 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.627 3.540 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.284 3.778 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.472 4.880 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.052 5.444 8.033 1.00 0.00 H new ATOM 742 N CYS A 64 10.865 7.459 2.513 1.00 0.00 N ATOM 743 CA CYS A 64 10.276 7.997 1.292 1.00 0.00 C ATOM 744 C CYS A 64 10.924 7.390 0.054 1.00 0.00 C ATOM 745 O CYS A 64 10.236 6.905 -0.843 1.00 0.00 O ATOM 746 CB CYS A 64 10.429 9.518 1.247 1.00 0.00 C ATOM 747 SG CYS A 64 9.690 10.291 -0.212 1.00 0.00 S ATOM 0 H CYS A 64 11.309 8.157 3.110 1.00 0.00 H new ATOM 0 HA CYS A 64 9.217 7.738 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 64 9.974 9.945 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.490 9.767 1.279 1.00 0.00 H new ATOM 752 N ASN A 65 12.252 7.420 0.013 1.00 0.00 N ATOM 753 CA ASN A 65 12.994 6.909 -1.133 1.00 0.00 C ATOM 754 C ASN A 65 12.674 5.441 -1.386 1.00 0.00 C ATOM 755 O ASN A 65 12.385 5.044 -2.515 1.00 0.00 O ATOM 756 CB ASN A 65 14.486 7.103 -0.934 1.00 0.00 C ATOM 757 CG ASN A 65 14.908 8.537 -1.096 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.225 9.328 -1.757 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.022 8.888 -0.505 1.00 0.00 N ATOM 0 H ASN A 65 12.837 7.793 0.761 1.00 0.00 H new ATOM 0 HA ASN A 65 12.685 7.476 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.764 6.756 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.028 6.485 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.359 9.848 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.553 8.202 0.030 1.00 0.00 H new ATOM 766 N GLU A 66 12.728 4.638 -0.329 1.00 0.00 N ATOM 767 CA GLU A 66 12.504 3.202 -0.445 1.00 0.00 C ATOM 768 C GLU A 66 11.084 2.902 -0.908 1.00 0.00 C ATOM 769 O GLU A 66 10.867 2.028 -1.747 1.00 0.00 O ATOM 770 CB GLU A 66 12.771 2.511 0.894 1.00 0.00 C ATOM 771 CG GLU A 66 14.239 2.461 1.294 1.00 0.00 C ATOM 772 CD GLU A 66 14.454 1.852 2.652 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.486 1.577 3.320 1.00 0.00 O ATOM 774 OE2 GLU A 66 15.589 1.663 3.022 1.00 0.00 O1- ATOM 0 H GLU A 66 12.925 4.958 0.619 1.00 0.00 H new ATOM 0 HA GLU A 66 13.197 2.816 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.212 3.028 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.385 1.493 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.793 1.887 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.648 3.472 1.285 1.00 0.00 H new ATOM 781 N SER A 67 10.120 3.631 -0.356 1.00 0.00 N ATOM 782 CA SER A 67 8.720 3.455 -0.723 1.00 0.00 C ATOM 783 C SER A 67 8.491 3.779 -2.194 1.00 0.00 C ATOM 784 O SER A 67 7.768 3.067 -2.891 1.00 0.00 O ATOM 785 CB SER A 67 7.839 4.335 0.141 1.00 0.00 C ATOM 786 OG SER A 67 7.885 3.931 1.481 1.00 0.00 O ATOM 0 H SER A 67 10.283 4.350 0.348 1.00 0.00 H new ATOM 0 HA SER A 67 8.458 2.410 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.163 5.372 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.811 4.293 -0.220 1.00 0.00 H new ATOM 0 HG SER A 67 8.663 4.335 1.918 1.00 0.00 H new ATOM 792 N CYS A 68 9.112 4.857 -2.661 1.00 0.00 N ATOM 793 CA CYS A 68 8.931 5.310 -4.035 1.00 0.00 C ATOM 794 C CYS A 68 9.762 4.479 -5.003 1.00 0.00 C ATOM 795 O CYS A 68 9.515 4.482 -6.209 1.00 0.00 O ATOM 796 CB CYS A 68 9.320 6.783 -4.171 1.00 0.00 C ATOM 797 SG CYS A 68 8.299 7.910 -3.192 1.00 0.00 S ATOM 0 H CYS A 68 9.746 5.434 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 68 7.877 5.188 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.362 6.902 -3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.254 7.070 -5.221 1.00 0.00 H new ATOM 802 N ASN A 69 10.749 3.767 -4.468 1.00 0.00 N ATOM 803 CA ASN A 69 11.482 2.773 -5.241 1.00 0.00 C ATOM 804 C ASN A 69 10.667 1.498 -5.414 1.00 0.00 C ATOM 805 O ASN A 69 10.779 0.810 -6.428 1.00 0.00 O ATOM 806 CB ASN A 69 12.818 2.468 -4.589 1.00 0.00 C ATOM 807 CG ASN A 69 13.811 3.585 -4.756 1.00 0.00 C ATOM 808 OD1 ASN A 69 13.696 4.401 -5.677 1.00 0.00 O ATOM 809 ND2 ASN A 69 14.785 3.636 -3.883 1.00 0.00 N ATOM 0 H ASN A 69 11.059 3.861 -3.501 1.00 0.00 H new ATOM 0 HA ASN A 69 11.667 3.189 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.665 2.279 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.228 1.555 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.489 4.371 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.840 2.941 -3.139 1.00 0.00 H new ATOM 816 N ASP A 70 9.845 1.188 -4.416 1.00 0.00 N ATOM 817 CA ASP A 70 8.897 0.085 -4.520 1.00 0.00 C ATOM 818 C ASP A 70 7.763 0.422 -5.480 1.00 0.00 C ATOM 819 O ASP A 70 7.187 -0.464 -6.111 1.00 0.00 O ATOM 820 CB ASP A 70 8.323 -0.260 -3.143 1.00 0.00 C ATOM 821 CG ASP A 70 9.333 -0.947 -2.235 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.339 -1.396 -2.731 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.090 -1.016 -1.054 1.00 0.00 O1- ATOM 0 H ASP A 70 9.817 1.686 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 70 9.435 -0.778 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.972 0.653 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.455 -0.908 -3.269 1.00 0.00 H new ATOM 828 N ALA A 71 7.447 1.708 -5.586 1.00 0.00 N ATOM 829 CA ALA A 71 6.439 2.174 -6.531 1.00 0.00 C ATOM 830 C ALA A 71 6.837 1.849 -7.965 1.00 0.00 C ATOM 831 O ALA A 71 8.022 1.808 -8.296 1.00 0.00 O ATOM 832 CB ALA A 71 6.213 3.670 -6.370 1.00 0.00 C ATOM 0 H ALA A 71 7.875 2.447 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 71 5.507 1.652 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.458 4.003 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.873 3.879 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.146 4.201 -6.556 1.00 0.00 H new ATOM 838 N PRO A 72 5.840 1.620 -8.813 1.00 0.00 N ATOM 839 CA PRO A 72 6.082 1.150 -10.172 1.00 0.00 C ATOM 840 C PRO A 72 6.336 2.315 -11.120 1.00 0.00 C ATOM 841 O PRO A 72 6.463 2.127 -12.330 1.00 0.00 O ATOM 842 CB PRO A 72 4.785 0.413 -10.518 1.00 0.00 C ATOM 843 CG PRO A 72 3.727 1.173 -9.793 1.00 0.00 C ATOM 844 CD PRO A 72 4.374 1.565 -8.491 1.00 0.00 C ATOM 0 HA PRO A 72 6.965 0.518 -10.259 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.605 0.407 -11.593 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.820 -0.627 -10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.409 2.049 -10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.840 0.561 -9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.007 2.529 -8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.165 0.837 -7.707 1.00 0.00 H new ATOM 852 N LYS A 73 6.411 3.519 -10.563 1.00 0.00 N ATOM 853 CA LYS A 73 6.585 4.725 -11.364 1.00 0.00 C ATOM 854 C LYS A 73 7.839 4.638 -12.224 1.00 0.00 C ATOM 855 O LYS A 73 8.929 4.360 -11.723 1.00 0.00 O ATOM 856 CB LYS A 73 6.648 5.961 -10.466 1.00 0.00 C ATOM 857 CG LYS A 73 6.685 7.284 -11.218 1.00 0.00 C ATOM 858 CD LYS A 73 6.552 8.465 -10.268 1.00 0.00 C ATOM 859 CE LYS A 73 6.605 9.788 -11.017 1.00 0.00 C ATOM 860 NZ LYS A 73 6.452 10.952 -10.102 1.00 0.00 N1+ ATOM 0 H LYS A 73 6.354 3.686 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 73 5.723 4.813 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.783 5.958 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.534 5.891 -9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.621 7.364 -11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.878 7.311 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.611 8.391 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.352 8.431 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.554 9.866 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.816 9.811 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.678 11.828 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.472 10.996 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.099 10.846 -9.295 1.00 0.00 H new ATOM 874 N PRO A 74 7.679 4.878 -13.521 1.00 0.00 N ATOM 875 CA PRO A 74 8.789 4.778 -14.461 1.00 0.00 C ATOM 876 C PRO A 74 9.943 5.684 -14.049 1.00 0.00 C ATOM 877 O PRO A 74 9.754 6.877 -13.813 1.00 0.00 O ATOM 878 CB PRO A 74 8.162 5.229 -15.784 1.00 0.00 C ATOM 879 CG PRO A 74 6.725 4.856 -15.653 1.00 0.00 C ATOM 880 CD PRO A 74 6.393 5.144 -14.213 1.00 0.00 C ATOM 0 HA PRO A 74 9.220 3.778 -14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.283 6.301 -15.937 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.627 4.731 -16.635 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.100 5.439 -16.329 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.563 3.806 -15.896 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.063 6.173 -14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.595 4.500 -13.845 1.00 0.00 H new ATOM 888 N PRO A 75 11.138 5.110 -13.966 1.00 0.00 N ATOM 889 CA PRO A 75 12.341 5.882 -13.679 1.00 0.00 C ATOM 890 C PRO A 75 12.505 7.031 -14.666 1.00 0.00 C ATOM 891 O PRO A 75 13.057 8.079 -14.328 1.00 0.00 O ATOM 892 CB PRO A 75 13.460 4.846 -13.827 1.00 0.00 C ATOM 893 CG PRO A 75 12.795 3.546 -13.531 1.00 0.00 C ATOM 894 CD PRO A 75 11.425 3.677 -14.141 1.00 0.00 C ATOM 0 HA PRO A 75 12.328 6.353 -12.696 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.883 4.857 -14.831 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.278 5.042 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.345 2.711 -13.965 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.736 3.365 -12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.418 3.387 -15.192 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.692 3.051 -13.632 1.00 0.00 H new ATOM 902 N CYS A 76 12.024 6.829 -15.887 1.00 0.00 N ATOM 903 CA CYS A 76 12.139 7.838 -16.933 1.00 0.00 C ATOM 904 C CYS A 76 11.500 9.152 -16.504 1.00 0.00 C ATOM 905 O CYS A 76 11.937 10.229 -16.910 1.00 0.00 O ATOM 906 CB CYS A 76 11.478 7.354 -18.224 1.00 0.00 C ATOM 907 SG CYS A 76 11.553 8.543 -19.584 1.00 0.00 S ATOM 0 H CYS A 76 11.550 5.974 -16.177 1.00 0.00 H new ATOM 0 HA CYS A 76 13.202 8.004 -17.110 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.957 6.427 -18.539 1.00 0.00 H new ATOM 0 HB3 CYS A 76 10.434 7.119 -18.019 1.00 0.00 H new ATOM 912 N SER A 77 10.461 9.058 -15.680 1.00 0.00 N ATOM 913 CA SER A 77 9.684 10.228 -15.290 1.00 0.00 C ATOM 914 C SER A 77 10.294 10.914 -14.074 1.00 0.00 C ATOM 915 O SER A 77 9.750 11.894 -13.564 1.00 0.00 O ATOM 916 CB SER A 77 8.253 9.828 -14.990 1.00 0.00 C ATOM 917 OG SER A 77 8.189 8.995 -13.866 1.00 0.00 O ATOM 0 H SER A 77 10.138 8.182 -15.269 1.00 0.00 H new ATOM 0 HA SER A 77 9.696 10.932 -16.122 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.650 10.720 -14.820 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.827 9.315 -15.852 1.00 0.00 H new ATOM 0 HG SER A 77 8.521 8.103 -14.100 1.00 0.00 H new ATOM 923 N LEU A 78 11.426 10.394 -13.613 1.00 0.00 N ATOM 924 CA LEU A 78 12.073 10.909 -12.412 1.00 0.00 C ATOM 925 C LEU A 78 13.299 11.742 -12.761 1.00 0.00 C ATOM 926 O LEU A 78 14.031 11.425 -13.699 1.00 0.00 O ATOM 927 CB LEU A 78 12.479 9.751 -11.491 1.00 0.00 C ATOM 928 CG LEU A 78 11.357 8.775 -11.115 1.00 0.00 C ATOM 929 CD1 LEU A 78 11.915 7.680 -10.217 1.00 0.00 C ATOM 930 CD2 LEU A 78 10.236 9.534 -10.420 1.00 0.00 C ATOM 0 H LEU A 78 11.915 9.615 -14.054 1.00 0.00 H new ATOM 0 HA LEU A 78 11.358 11.549 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.277 9.189 -11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.894 10.169 -10.574 1.00 0.00 H new ATOM 0 HG LEU A 78 10.952 8.309 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.117 6.987 -9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.702 7.142 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.326 8.126 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.438 8.841 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.622 10.008 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.843 10.298 -11.091 1.00 0.00 H new ATOM 942 N GLU A 79 13.520 12.809 -12.000 1.00 0.00 N ATOM 943 CA GLU A 79 14.645 13.704 -12.243 1.00 0.00 C ATOM 944 C GLU A 79 15.964 13.046 -11.860 1.00 0.00 C ATOM 945 O GLU A 79 16.021 12.240 -10.932 1.00 0.00 O ATOM 946 CB GLU A 79 14.468 15.007 -11.461 1.00 0.00 C ATOM 947 CG GLU A 79 15.558 16.041 -11.706 1.00 0.00 C ATOM 948 CD GLU A 79 15.285 17.352 -11.024 1.00 0.00 C ATOM 949 OE1 GLU A 79 14.259 17.473 -10.399 1.00 0.00 O ATOM 950 OE2 GLU A 79 16.104 18.235 -11.128 1.00 0.00 O1- ATOM 0 H GLU A 79 12.934 13.075 -11.209 1.00 0.00 H new ATOM 0 HA GLU A 79 14.669 13.927 -13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.504 15.444 -11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.436 14.776 -10.396 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.512 15.646 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.658 16.209 -12.778 1.00 0.00 H new ATOM 957 N VAL A 80 17.024 13.394 -12.582 1.00 0.00 N ATOM 958 CA VAL A 80 18.366 12.937 -12.242 1.00 0.00 C ATOM 959 C VAL A 80 18.589 12.953 -10.735 1.00 0.00 C ATOM 960 O VAL A 80 18.299 13.945 -10.066 1.00 0.00 O ATOM 961 CB VAL A 80 19.423 13.826 -12.924 1.00 0.00 C ATOM 962 CG1 VAL A 80 20.816 13.479 -12.420 1.00 0.00 C ATOM 963 CG2 VAL A 80 19.340 13.662 -14.434 1.00 0.00 C ATOM 0 H VAL A 80 16.979 13.992 -13.407 1.00 0.00 H new ATOM 0 HA VAL A 80 18.466 11.912 -12.598 1.00 0.00 H new ATOM 0 HB VAL A 80 19.223 14.868 -12.674 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.550 14.117 -12.912 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.863 13.637 -11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.034 12.435 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.090 14.293 -14.910 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.522 12.620 -14.697 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.348 13.955 -14.778 1.00 0.00 H new ATOM 973 N ASP A 81 19.106 11.850 -10.206 1.00 0.00 N ATOM 974 CA ASP A 81 19.374 11.738 -8.777 1.00 0.00 C ATOM 975 C ASP A 81 20.623 10.906 -8.515 1.00 0.00 C ATOM 976 O ASP A 81 20.556 9.680 -8.424 1.00 0.00 O ATOM 977 CB ASP A 81 18.178 11.115 -8.054 1.00 0.00 C ATOM 978 CG ASP A 81 18.359 11.065 -6.543 1.00 0.00 C ATOM 979 OD1 ASP A 81 19.399 11.465 -6.076 1.00 0.00 O ATOM 980 OD2 ASP A 81 17.456 10.628 -5.871 1.00 0.00 O1- ATOM 0 H ASP A 81 19.348 11.019 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 81 19.541 12.744 -8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.280 11.687 -8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.019 10.104 -8.429 1.00 0.00 H new ATOM 985 N TYR A 82 21.762 11.579 -8.394 1.00 0.00 N ATOM 986 CA TYR A 82 23.024 10.906 -8.115 1.00 0.00 C ATOM 987 C TYR A 82 23.391 11.011 -6.641 1.00 0.00 C ATOM 988 O TYR A 82 24.545 10.808 -6.262 1.00 0.00 O ATOM 989 CB TYR A 82 24.144 11.485 -8.983 1.00 0.00 C ATOM 990 CG TYR A 82 24.243 12.994 -8.923 1.00 0.00 C ATOM 991 CD1 TYR A 82 24.967 13.601 -7.908 1.00 0.00 C ATOM 992 CD2 TYR A 82 23.611 13.769 -9.884 1.00 0.00 C ATOM 993 CE1 TYR A 82 25.058 14.979 -7.853 1.00 0.00 C ATOM 994 CE2 TYR A 82 23.703 15.146 -9.830 1.00 0.00 C ATOM 995 CZ TYR A 82 24.422 15.751 -8.819 1.00 0.00 C ATOM 996 OH TYR A 82 24.513 17.123 -8.765 1.00 0.00 O ATOM 0 H TYR A 82 21.837 12.592 -8.485 1.00 0.00 H new ATOM 0 HA TYR A 82 22.900 9.851 -8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 82 25.095 11.055 -8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 82 23.984 11.181 -10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 82 25.460 12.997 -7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 82 23.047 13.296 -10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 82 25.621 15.454 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 82 23.212 15.750 -10.579 1.00 0.00 H new ATOM 0 HH TYR A 82 24.014 17.514 -9.513 1.00 0.00 H new ATOM 1006 N GLY A 83 22.403 11.331 -5.812 1.00 0.00 N ATOM 1007 CA GLY A 83 22.596 11.363 -4.367 1.00 0.00 C ATOM 1008 C GLY A 83 23.309 12.638 -3.935 1.00 0.00 C ATOM 1009 O GLY A 83 23.559 13.527 -4.748 1.00 0.00 O ATOM 0 H GLY A 83 21.460 11.572 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.630 11.296 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.177 10.495 -4.056 1.00 0.00 H new ATOM 1013 N VAL A 84 23.635 12.721 -2.649 1.00 0.00 N ATOM 1014 CA VAL A 84 24.382 13.856 -2.120 1.00 0.00 C ATOM 1015 C VAL A 84 25.588 13.394 -1.312 1.00 0.00 C ATOM 1016 O VAL A 84 25.863 13.919 -0.234 1.00 0.00 O ATOM 1017 CB VAL A 84 23.474 14.724 -1.229 1.00 0.00 C ATOM 1018 CG1 VAL A 84 22.393 15.395 -2.064 1.00 0.00 C ATOM 1019 CG2 VAL A 84 22.856 13.871 -0.132 1.00 0.00 C ATOM 0 H VAL A 84 23.393 12.015 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 84 24.734 14.444 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 84 24.076 15.505 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.760 16.004 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.858 16.029 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 84 21.786 14.633 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.215 14.492 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.263 13.074 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.647 13.435 0.478 1.00 0.00 H new ATOM 1029 N GLY A 85 26.305 12.407 -1.841 1.00 0.00 N ATOM 1030 CA GLY A 85 27.454 11.839 -1.147 1.00 0.00 C ATOM 1031 C GLY A 85 28.741 12.556 -1.533 1.00 0.00 C ATOM 1032 O GLY A 85 28.719 13.724 -1.922 1.00 0.00 O ATOM 0 H GLY A 85 26.110 11.984 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 85 27.304 11.911 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 85 27.539 10.779 -1.387 1.00 0.00 H new ATOM 1036 N ARG A 86 29.862 11.851 -1.423 1.00 0.00 N ATOM 1037 CA ARG A 86 31.169 12.447 -1.669 1.00 0.00 C ATOM 1038 C ARG A 86 31.947 11.657 -2.715 1.00 0.00 C ATOM 1039 O ARG A 86 33.059 12.030 -3.087 1.00 0.00 O ATOM 1040 CB ARG A 86 31.978 12.512 -0.382 1.00 0.00 C ATOM 1041 CG ARG A 86 31.401 13.422 0.690 1.00 0.00 C ATOM 1042 CD ARG A 86 31.434 14.848 0.277 1.00 0.00 C ATOM 1043 NE ARG A 86 30.864 15.720 1.291 1.00 0.00 N ATOM 1044 CZ ARG A 86 29.563 16.066 1.360 1.00 0.00 C ATOM 1045 NH1 ARG A 86 28.713 15.606 0.469 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 29.142 16.867 2.324 1.00 0.00 N ATOM 0 H ARG A 86 29.891 10.865 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 86 31.003 13.457 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 86 32.067 11.505 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 86 32.987 12.849 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 86 30.373 13.128 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 86 31.965 13.298 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 86 32.464 15.145 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 86 30.884 14.968 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 86 31.493 16.097 2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 86 29.038 14.988 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 86 27.728 15.868 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 86 29.802 17.223 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 86 28.158 17.129 2.376 1.00 0.00 H new ATOM 1060 N ALA A 87 31.354 10.565 -3.185 1.00 0.00 N ATOM 1061 CA ALA A 87 31.968 9.748 -4.225 1.00 0.00 C ATOM 1062 C ALA A 87 31.754 10.359 -5.604 1.00 0.00 C ATOM 1063 O ALA A 87 30.895 11.221 -5.784 1.00 0.00 O ATOM 1064 CB ALA A 87 31.413 8.331 -4.182 1.00 0.00 C ATOM 0 H ALA A 87 30.448 10.225 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 87 33.041 9.713 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 87 31.881 7.733 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 87 31.625 7.886 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 87 30.335 8.357 -4.341 1.00 0.00 H new ATOM 1070 N ASN A 88 32.541 9.907 -6.574 1.00 0.00 N ATOM 1071 CA ASN A 88 32.413 10.380 -7.947 1.00 0.00 C ATOM 1072 C ASN A 88 32.442 9.220 -8.934 1.00 0.00 C ATOM 1073 O ASN A 88 33.401 9.059 -9.689 1.00 0.00 O ATOM 1074 CB ASN A 88 33.504 11.384 -8.271 1.00 0.00 C ATOM 1075 CG ASN A 88 33.434 12.612 -7.406 1.00 0.00 C ATOM 1076 OD1 ASN A 88 32.559 13.466 -7.590 1.00 0.00 O ATOM 1077 ND2 ASN A 88 34.339 12.716 -6.466 1.00 0.00 N ATOM 0 H ASN A 88 33.275 9.213 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 88 31.447 10.876 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 88 34.478 10.910 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 88 33.425 11.676 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 88 34.341 13.527 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 88 35.042 11.986 -6.352 1.00 0.00 H new ATOM 1084 N ILE A 89 31.386 8.413 -8.923 1.00 0.00 N ATOM 1085 CA ILE A 89 31.286 7.269 -9.821 1.00 0.00 C ATOM 1086 C ILE A 89 30.368 7.571 -10.998 1.00 0.00 C ATOM 1087 O ILE A 89 29.173 7.807 -10.821 1.00 0.00 O ATOM 1088 CB ILE A 89 30.771 6.027 -9.073 1.00 0.00 C ATOM 1089 CG1 ILE A 89 31.722 5.658 -7.931 1.00 0.00 C ATOM 1090 CG2 ILE A 89 30.607 4.858 -10.032 1.00 0.00 C ATOM 1091 CD1 ILE A 89 31.172 4.608 -6.993 1.00 0.00 C ATOM 0 H ILE A 89 30.586 8.531 -8.301 1.00 0.00 H new ATOM 0 HA ILE A 89 32.287 7.066 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 89 29.795 6.260 -8.646 1.00 0.00 H new ATOM 0 HG12 ILE A 89 32.660 5.298 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 89 31.954 6.557 -7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 89 30.242 3.988 -9.486 1.00 0.00 H new ATOM 0 HG22 ILE A 89 29.892 5.124 -10.811 1.00 0.00 H new ATOM 0 HG23 ILE A 89 31.569 4.623 -10.487 1.00 0.00 H new ATOM 0 HD11 ILE A 89 31.903 4.400 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 89 30.250 4.972 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 89 30.967 3.694 -7.550 1.00 0.00 H new ATOM 1103 N PRO A 90 30.933 7.564 -12.201 1.00 0.00 N ATOM 1104 CA PRO A 90 30.164 7.825 -13.411 1.00 0.00 C ATOM 1105 C PRO A 90 28.982 6.871 -13.529 1.00 0.00 C ATOM 1106 O PRO A 90 29.158 5.675 -13.760 1.00 0.00 O ATOM 1107 CB PRO A 90 31.188 7.597 -14.527 1.00 0.00 C ATOM 1108 CG PRO A 90 32.499 7.905 -13.888 1.00 0.00 C ATOM 1109 CD PRO A 90 32.369 7.367 -12.488 1.00 0.00 C ATOM 0 HA PRO A 90 29.725 8.822 -13.436 1.00 0.00 H new ATOM 0 HB2 PRO A 90 31.155 6.571 -14.894 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.998 8.248 -15.381 1.00 0.00 H new ATOM 0 HG2 PRO A 90 33.322 7.430 -14.421 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.697 8.977 -13.885 1.00 0.00 H new ATOM 0 HD2 PRO A 90 32.654 6.317 -12.429 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.001 7.909 -11.785 1.00 0.00 H new ATOM 1117 N ARG A 91 27.777 7.407 -13.370 1.00 0.00 N ATOM 1118 CA ARG A 91 26.560 6.630 -13.570 1.00 0.00 C ATOM 1119 C ARG A 91 25.578 7.365 -14.473 1.00 0.00 C ATOM 1120 O ARG A 91 25.522 8.594 -14.474 1.00 0.00 O ATOM 1121 CB ARG A 91 25.891 6.331 -12.236 1.00 0.00 C ATOM 1122 CG ARG A 91 26.688 5.425 -11.310 1.00 0.00 C ATOM 1123 CD ARG A 91 26.676 4.015 -11.777 1.00 0.00 C ATOM 1124 NE ARG A 91 25.330 3.465 -11.808 1.00 0.00 N ATOM 1125 CZ ARG A 91 25.021 2.223 -12.229 1.00 0.00 C ATOM 1126 NH1 ARG A 91 25.970 1.417 -12.651 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 23.764 1.815 -12.218 1.00 0.00 N ATOM 0 H ARG A 91 27.617 8.378 -13.103 1.00 0.00 H new ATOM 0 HA ARG A 91 26.845 5.694 -14.051 1.00 0.00 H new ATOM 0 HB2 ARG A 91 25.700 7.273 -11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.922 5.869 -12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 91 27.717 5.780 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 91 26.274 5.478 -10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 91 27.114 3.959 -12.774 1.00 0.00 H new ATOM 0 HD3 ARG A 91 27.300 3.410 -11.120 1.00 0.00 H new ATOM 0 HE ARG A 91 24.567 4.061 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 91 26.940 1.732 -12.660 1.00 0.00 H new ATOM 0 HH12 ARG A 91 25.736 0.477 -12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.028 2.440 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.530 0.875 -12.537 1.00 0.00 H new ATOM 1141 N TRP A 92 24.805 6.604 -15.241 1.00 0.00 N ATOM 1142 CA TRP A 92 23.912 7.181 -16.238 1.00 0.00 C ATOM 1143 C TRP A 92 22.587 7.601 -15.614 1.00 0.00 C ATOM 1144 O TRP A 92 21.942 6.817 -14.919 1.00 0.00 O ATOM 1145 CB TRP A 92 23.653 6.180 -17.366 1.00 0.00 C ATOM 1146 CG TRP A 92 24.848 5.940 -18.239 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.729 4.906 -18.148 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.299 6.756 -19.347 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.695 5.020 -19.118 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.446 6.146 -19.862 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.828 7.936 -19.935 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 27.138 6.676 -20.939 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.521 8.467 -21.017 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.646 7.852 -21.506 1.00 0.00 C ATOM 0 H TRP A 92 24.779 5.586 -15.192 1.00 0.00 H new ATOM 0 HA TRP A 92 24.399 8.067 -16.646 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.333 5.232 -16.933 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.830 6.543 -17.982 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.676 4.111 -17.419 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.471 4.373 -19.262 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.943 8.425 -19.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 28.025 6.197 -21.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 25.169 9.377 -21.480 1.00 0.00 H new ATOM 0 HH2 TRP A 92 27.162 8.288 -22.349 1.00 0.00 H new ATOM 1165 N TYR A 93 22.188 8.843 -15.866 1.00 0.00 N ATOM 1166 CA TYR A 93 20.911 9.351 -15.378 1.00 0.00 C ATOM 1167 C TYR A 93 20.137 10.052 -16.487 1.00 0.00 C ATOM 1168 O TYR A 93 20.724 10.707 -17.349 1.00 0.00 O ATOM 1169 CB TYR A 93 21.129 10.303 -14.200 1.00 0.00 C ATOM 1170 CG TYR A 93 21.812 9.660 -13.014 1.00 0.00 C ATOM 1171 CD1 TYR A 93 23.195 9.688 -12.910 1.00 0.00 C ATOM 1172 CD2 TYR A 93 21.056 9.042 -12.029 1.00 0.00 C ATOM 1173 CE1 TYR A 93 23.819 9.100 -11.827 1.00 0.00 C ATOM 1174 CE2 TYR A 93 21.680 8.454 -10.946 1.00 0.00 C ATOM 1175 CZ TYR A 93 23.056 8.482 -10.843 1.00 0.00 C ATOM 1176 OH TYR A 93 23.677 7.897 -9.764 1.00 0.00 O ATOM 0 H TYR A 93 22.731 9.517 -16.406 1.00 0.00 H new ATOM 0 HA TYR A 93 20.320 8.500 -15.039 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.726 11.151 -14.536 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.165 10.699 -13.881 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.784 10.170 -13.676 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.979 9.021 -12.109 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.896 9.120 -11.745 1.00 0.00 H new ATOM 0 HE2 TYR A 93 21.091 7.972 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 93 24.563 8.298 -9.639 1.00 0.00 H new ATOM 1186 N TYR A 94 18.816 9.910 -16.460 1.00 0.00 N ATOM 1187 CA TYR A 94 17.959 10.527 -17.466 1.00 0.00 C ATOM 1188 C TYR A 94 17.523 11.922 -17.037 1.00 0.00 C ATOM 1189 O TYR A 94 16.905 12.094 -15.986 1.00 0.00 O ATOM 1190 CB TYR A 94 16.736 9.649 -17.738 1.00 0.00 C ATOM 1191 CG TYR A 94 15.814 10.199 -18.803 1.00 0.00 C ATOM 1192 CD1 TYR A 94 16.175 10.123 -20.140 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.607 10.781 -18.443 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.332 10.626 -21.113 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.765 11.283 -19.415 1.00 0.00 C ATOM 1196 CZ TYR A 94 14.124 11.207 -20.746 1.00 0.00 C ATOM 1197 OH TYR A 94 13.285 11.708 -21.714 1.00 0.00 O ATOM 0 H TYR A 94 18.315 9.373 -15.752 1.00 0.00 H new ATOM 0 HA TYR A 94 18.536 10.621 -18.386 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.072 8.657 -18.039 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.174 9.528 -16.812 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.115 9.671 -20.421 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.326 10.841 -17.402 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.611 10.568 -22.155 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.825 11.735 -19.134 1.00 0.00 H new ATOM 0 HH TYR A 94 12.482 12.079 -21.291 1.00 0.00 H new ATOM 1207 N ASP A 95 17.847 12.916 -17.857 1.00 0.00 N ATOM 1208 CA ASP A 95 17.422 14.287 -17.604 1.00 0.00 C ATOM 1209 C ASP A 95 16.065 14.569 -18.237 1.00 0.00 C ATOM 1210 O ASP A 95 15.937 14.610 -19.460 1.00 0.00 O ATOM 1211 CB ASP A 95 18.457 15.278 -18.141 1.00 0.00 C ATOM 1212 CG ASP A 95 18.096 16.729 -17.850 1.00 0.00 C ATOM 1213 OD1 ASP A 95 16.942 16.997 -17.615 1.00 0.00 O ATOM 1214 OD2 ASP A 95 18.978 17.554 -17.867 1.00 0.00 O1- ATOM 0 H ASP A 95 18.403 12.797 -18.704 1.00 0.00 H new ATOM 0 HA ASP A 95 17.333 14.411 -16.525 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.429 15.055 -17.700 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.557 15.143 -19.218 1.00 0.00 H new ATOM 1219 N THR A 96 15.054 14.762 -17.396 1.00 0.00 N ATOM 1220 CA THR A 96 13.681 14.896 -17.867 1.00 0.00 C ATOM 1221 C THR A 96 13.439 16.272 -18.474 1.00 0.00 C ATOM 1222 O THR A 96 12.503 16.463 -19.250 1.00 0.00 O ATOM 1223 CB THR A 96 12.677 14.650 -16.726 1.00 0.00 C ATOM 1224 OG1 THR A 96 12.860 15.638 -15.703 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.876 13.265 -16.130 1.00 0.00 C ATOM 0 H THR A 96 15.160 14.829 -16.384 1.00 0.00 H new ATOM 0 HA THR A 96 13.529 14.141 -18.638 1.00 0.00 H new ATOM 0 HB THR A 96 11.667 14.719 -17.130 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.219 15.481 -14.978 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.158 13.109 -15.325 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.725 12.511 -16.903 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.888 13.181 -15.734 1.00 0.00 H new ATOM 1233 N ASN A 97 14.288 17.229 -18.115 1.00 0.00 N ATOM 1234 CA ASN A 97 14.139 18.602 -18.584 1.00 0.00 C ATOM 1235 C ASN A 97 14.774 18.786 -19.956 1.00 0.00 C ATOM 1236 O ASN A 97 14.274 19.548 -20.784 1.00 0.00 O ATOM 1237 CB ASN A 97 14.736 19.575 -17.584 1.00 0.00 C ATOM 1238 CG ASN A 97 13.930 19.671 -16.319 1.00 0.00 C ATOM 1239 OD1 ASN A 97 12.724 19.396 -16.314 1.00 0.00 O ATOM 1240 ND2 ASN A 97 14.572 20.055 -15.245 1.00 0.00 N ATOM 0 H ASN A 97 15.088 17.079 -17.500 1.00 0.00 H new ATOM 0 HA ASN A 97 13.073 18.812 -18.677 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.752 19.263 -17.341 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.807 20.562 -18.041 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.077 20.138 -14.357 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.567 20.272 -15.296 1.00 0.00 H new ATOM 1247 N ASN A 98 15.877 18.085 -20.192 1.00 0.00 N ATOM 1248 CA ASN A 98 16.569 18.152 -21.474 1.00 0.00 C ATOM 1249 C ASN A 98 16.327 16.893 -22.296 1.00 0.00 C ATOM 1250 O ASN A 98 16.753 16.800 -23.447 1.00 0.00 O ATOM 1251 CB ASN A 98 18.055 18.378 -21.268 1.00 0.00 C ATOM 1252 CG ASN A 98 18.363 19.749 -20.733 1.00 0.00 C ATOM 1253 OD1 ASN A 98 18.144 20.758 -21.414 1.00 0.00 O ATOM 1254 ND2 ASN A 98 18.866 19.806 -19.527 1.00 0.00 N ATOM 0 H ASN A 98 16.312 17.463 -19.511 1.00 0.00 H new ATOM 0 HA ASN A 98 16.164 18.998 -22.029 1.00 0.00 H new ATOM 0 HB2 ASN A 98 18.441 17.628 -20.578 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.575 18.237 -22.215 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.094 20.709 -19.112 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.030 18.947 -19.002 1.00 0.00 H new ATOM 1261 N ALA A 99 15.639 15.925 -21.699 1.00 0.00 N ATOM 1262 CA ALA A 99 15.297 14.689 -22.391 1.00 0.00 C ATOM 1263 C ALA A 99 16.542 13.998 -22.932 1.00 0.00 C ATOM 1264 O ALA A 99 16.614 13.664 -24.115 1.00 0.00 O ATOM 1265 CB ALA A 99 14.315 14.968 -23.519 1.00 0.00 C ATOM 0 H ALA A 99 15.307 15.974 -20.736 1.00 0.00 H new ATOM 0 HA ALA A 99 14.826 14.020 -21.671 1.00 0.00 H new ATOM 0 HB1 ALA A 99 14.069 14.035 -24.026 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.406 15.409 -23.109 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.765 15.660 -24.230 1.00 0.00 H new ATOM 1271 N THR A 100 17.521 13.786 -22.059 1.00 0.00 N ATOM 1272 CA THR A 100 18.783 13.173 -22.457 1.00 0.00 C ATOM 1273 C THR A 100 19.412 12.405 -21.302 1.00 0.00 C ATOM 1274 O THR A 100 19.256 12.778 -20.139 1.00 0.00 O ATOM 1275 CB THR A 100 19.774 14.231 -22.975 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.957 13.584 -23.462 1.00 0.00 O ATOM 1277 CG2 THR A 100 20.151 15.198 -21.863 1.00 0.00 C ATOM 0 H THR A 100 17.465 14.030 -21.070 1.00 0.00 H new ATOM 0 HA THR A 100 18.561 12.473 -23.263 1.00 0.00 H new ATOM 0 HB THR A 100 19.298 14.788 -23.782 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.586 14.259 -23.793 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.852 15.939 -22.247 1.00 0.00 H new ATOM 0 HG22 THR A 100 19.255 15.701 -21.499 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.616 14.648 -21.045 1.00 0.00 H new ATOM 1285 N CYS A 101 20.122 11.331 -21.628 1.00 0.00 N ATOM 1286 CA CYS A 101 20.753 10.493 -20.616 1.00 0.00 C ATOM 1287 C CYS A 101 22.256 10.736 -20.557 1.00 0.00 C ATOM 1288 O CYS A 101 22.968 10.521 -21.538 1.00 0.00 O ATOM 1289 CB CYS A 101 20.492 9.014 -20.903 1.00 0.00 C ATOM 1290 SG CYS A 101 21.185 7.889 -19.668 1.00 0.00 S ATOM 0 H CYS A 101 20.275 11.020 -22.587 1.00 0.00 H new ATOM 0 HA CYS A 101 20.316 10.759 -19.653 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.416 8.851 -20.964 1.00 0.00 H new ATOM 0 HB3 CYS A 101 20.908 8.765 -21.879 1.00 0.00 H new ATOM 1295 N GLU A 102 22.732 11.187 -19.402 1.00 0.00 N ATOM 1296 CA GLU A 102 24.127 11.583 -19.250 1.00 0.00 C ATOM 1297 C GLU A 102 24.731 10.999 -17.979 1.00 0.00 C ATOM 1298 O GLU A 102 24.009 10.566 -17.080 1.00 0.00 O ATOM 1299 CB GLU A 102 24.250 13.108 -19.231 1.00 0.00 C ATOM 1300 CG GLU A 102 23.794 13.792 -20.513 1.00 0.00 C ATOM 1301 CD GLU A 102 23.960 15.285 -20.470 1.00 0.00 C ATOM 1302 OE1 GLU A 102 24.354 15.791 -19.447 1.00 0.00 O ATOM 1303 OE2 GLU A 102 23.692 15.921 -21.462 1.00 0.00 O1- ATOM 0 H GLU A 102 22.171 11.288 -18.556 1.00 0.00 H new ATOM 0 HA GLU A 102 24.679 11.190 -20.104 1.00 0.00 H new ATOM 0 HB2 GLU A 102 23.665 13.497 -18.398 1.00 0.00 H new ATOM 0 HB3 GLU A 102 25.290 13.374 -19.042 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.361 13.392 -21.354 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.746 13.553 -20.693 1.00 0.00 H new ATOM 1310 N MET A 103 26.057 10.991 -17.910 1.00 0.00 N ATOM 1311 CA MET A 103 26.760 10.481 -16.739 1.00 0.00 C ATOM 1312 C MET A 103 26.924 11.563 -15.680 1.00 0.00 C ATOM 1313 O MET A 103 27.334 12.684 -15.982 1.00 0.00 O ATOM 1314 CB MET A 103 28.122 9.920 -17.143 1.00 0.00 C ATOM 1315 CG MET A 103 28.057 8.655 -17.987 1.00 0.00 C ATOM 1316 SD MET A 103 29.689 8.053 -18.466 1.00 0.00 S ATOM 1317 CE MET A 103 30.118 9.226 -19.749 1.00 0.00 C ATOM 0 H MET A 103 26.668 11.332 -18.652 1.00 0.00 H new ATOM 0 HA MET A 103 26.161 9.679 -16.308 1.00 0.00 H new ATOM 0 HB2 MET A 103 28.666 10.685 -17.698 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.697 9.711 -16.241 1.00 0.00 H new ATOM 0 HG2 MET A 103 27.537 7.877 -17.429 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.469 8.851 -18.884 1.00 0.00 H new ATOM 0 HE1 MET A 103 31.016 8.887 -20.266 1.00 0.00 H new ATOM 0 HE2 MET A 103 29.296 9.303 -20.461 1.00 0.00 H new ATOM 0 HE3 MET A 103 30.304 10.203 -19.302 1.00 0.00 H new ATOM 1327 N PHE A 104 26.602 11.222 -14.437 1.00 0.00 N ATOM 1328 CA PHE A 104 26.777 12.142 -13.319 1.00 0.00 C ATOM 1329 C PHE A 104 27.593 11.503 -12.203 1.00 0.00 C ATOM 1330 O PHE A 104 27.744 10.282 -12.152 1.00 0.00 O ATOM 1331 CB PHE A 104 25.419 12.587 -12.775 1.00 0.00 C ATOM 1332 CG PHE A 104 24.631 13.436 -13.732 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.864 12.853 -14.729 1.00 0.00 C ATOM 1334 CD2 PHE A 104 24.656 14.819 -13.637 1.00 0.00 C ATOM 1335 CE1 PHE A 104 23.139 13.633 -15.610 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.932 15.602 -14.515 1.00 0.00 C ATOM 1337 CZ PHE A 104 23.173 15.007 -15.503 1.00 0.00 C ATOM 0 H PHE A 104 26.218 10.313 -14.178 1.00 0.00 H new ATOM 0 HA PHE A 104 27.319 13.013 -13.688 1.00 0.00 H new ATOM 0 HB2 PHE A 104 24.833 11.704 -12.520 1.00 0.00 H new ATOM 0 HB3 PHE A 104 25.573 13.145 -11.851 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.833 11.777 -14.818 1.00 0.00 H new ATOM 0 HD2 PHE A 104 25.249 15.290 -12.867 1.00 0.00 H new ATOM 0 HE1 PHE A 104 22.546 13.166 -16.382 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.960 16.678 -14.429 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.607 15.617 -16.191 1.00 0.00 H new ATOM 1347 N THR A 105 28.117 12.335 -11.309 1.00 0.00 N ATOM 1348 CA THR A 105 28.975 11.860 -10.230 1.00 0.00 C ATOM 1349 C THR A 105 28.157 11.211 -9.121 1.00 0.00 C ATOM 1350 O THR A 105 27.719 11.882 -8.186 1.00 0.00 O ATOM 1351 CB THR A 105 29.819 13.007 -9.647 1.00 0.00 C ATOM 1352 OG1 THR A 105 28.955 14.062 -9.202 1.00 0.00 O ATOM 1353 CG2 THR A 105 30.778 13.551 -10.695 1.00 0.00 C ATOM 0 H THR A 105 27.962 13.343 -11.311 1.00 0.00 H new ATOM 0 HA THR A 105 29.644 11.112 -10.655 1.00 0.00 H new ATOM 0 HB THR A 105 30.396 12.621 -8.807 1.00 0.00 H new ATOM 0 HG1 THR A 105 28.195 13.679 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.366 14.361 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 105 31.445 12.755 -11.026 1.00 0.00 H new ATOM 0 HG23 THR A 105 30.211 13.927 -11.547 1.00 0.00 H new ATOM 1361 N TYR A 106 27.954 9.903 -9.230 1.00 0.00 N ATOM 1362 CA TYR A 106 27.250 9.148 -8.200 1.00 0.00 C ATOM 1363 C TYR A 106 27.920 9.314 -6.841 1.00 0.00 C ATOM 1364 O TYR A 106 29.034 8.837 -6.625 1.00 0.00 O ATOM 1365 CB TYR A 106 27.178 7.666 -8.577 1.00 0.00 C ATOM 1366 CG TYR A 106 26.400 6.823 -7.591 1.00 0.00 C ATOM 1367 CD1 TYR A 106 25.109 7.185 -7.235 1.00 0.00 C ATOM 1368 CD2 TYR A 106 26.977 5.687 -7.043 1.00 0.00 C ATOM 1369 CE1 TYR A 106 24.399 6.415 -6.335 1.00 0.00 C ATOM 1370 CE2 TYR A 106 26.267 4.917 -6.143 1.00 0.00 C ATOM 1371 CZ TYR A 106 24.983 5.278 -5.789 1.00 0.00 C ATOM 1372 OH TYR A 106 24.275 4.510 -4.893 1.00 0.00 O ATOM 0 H TYR A 106 28.267 9.343 -10.023 1.00 0.00 H new ATOM 0 HA TYR A 106 26.237 9.543 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 106 26.720 7.573 -9.562 1.00 0.00 H new ATOM 0 HB3 TYR A 106 28.191 7.272 -8.658 1.00 0.00 H new ATOM 0 HD1 TYR A 106 24.659 8.069 -7.662 1.00 0.00 H new ATOM 0 HD2 TYR A 106 27.982 5.405 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 106 23.394 6.695 -6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 106 26.716 4.033 -5.716 1.00 0.00 H new ATOM 0 HH TYR A 106 24.825 3.751 -4.606 1.00 0.00 H new ATOM 1382 N GLY A 107 27.234 9.994 -5.929 1.00 0.00 N ATOM 1383 CA GLY A 107 27.815 10.348 -4.640 1.00 0.00 C ATOM 1384 C GLY A 107 27.838 9.151 -3.698 1.00 0.00 C ATOM 1385 O GLY A 107 28.611 9.116 -2.741 1.00 0.00 O ATOM 0 H GLY A 107 26.273 10.311 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.830 10.719 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.241 11.158 -4.189 1.00 0.00 H new ATOM 1389 N GLY A 108 26.985 8.171 -3.976 1.00 0.00 N ATOM 1390 CA GLY A 108 26.916 6.962 -3.163 1.00 0.00 C ATOM 1391 C GLY A 108 25.505 6.732 -2.636 1.00 0.00 C ATOM 1392 O GLY A 108 25.221 5.704 -2.022 1.00 0.00 O ATOM 0 H GLY A 108 26.331 8.190 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 108 27.230 6.103 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.611 7.043 -2.327 1.00 0.00 H new ATOM 1396 N ILE A 109 24.623 7.696 -2.881 1.00 0.00 N ATOM 1397 CA ILE A 109 23.226 7.574 -2.485 1.00 0.00 C ATOM 1398 C ILE A 109 22.320 7.422 -3.700 1.00 0.00 C ATOM 1399 O ILE A 109 22.227 8.323 -4.534 1.00 0.00 O ATOM 1400 CB ILE A 109 22.779 8.795 -1.661 1.00 0.00 C ATOM 1401 CG1 ILE A 109 23.627 8.922 -0.392 1.00 0.00 C ATOM 1402 CG2 ILE A 109 21.303 8.690 -1.311 1.00 0.00 C ATOM 1403 CD1 ILE A 109 23.419 10.220 0.354 1.00 0.00 C ATOM 0 H ILE A 109 24.852 8.571 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 109 23.141 6.678 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 109 22.925 9.692 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 109 23.395 8.090 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 109 24.680 8.832 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 109 21.004 9.562 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 109 20.714 8.647 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 109 21.131 7.786 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 109 24.053 10.236 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 109 23.679 11.057 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 109 22.374 10.304 0.654 1.00 0.00 H new ATOM 1415 N THR A 110 21.653 6.276 -3.795 1.00 0.00 N ATOM 1416 CA THR A 110 20.845 5.956 -4.965 1.00 0.00 C ATOM 1417 C THR A 110 19.644 6.886 -5.077 1.00 0.00 C ATOM 1418 O THR A 110 19.367 7.433 -6.145 1.00 0.00 O ATOM 1419 CB THR A 110 20.364 4.493 -4.923 1.00 0.00 C ATOM 1420 OG1 THR A 110 21.496 3.615 -4.931 1.00 0.00 O ATOM 1421 CG2 THR A 110 19.481 4.187 -6.123 1.00 0.00 C ATOM 0 H THR A 110 21.657 5.554 -3.075 1.00 0.00 H new ATOM 0 HA THR A 110 21.478 6.094 -5.841 1.00 0.00 H new ATOM 0 HB THR A 110 19.785 4.343 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 110 22.321 4.144 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 110 19.151 3.149 -6.076 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.612 4.845 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.046 4.347 -7.041 1.00 0.00 H new ATOM 1429 N GLY A 111 18.933 7.063 -3.968 1.00 0.00 N ATOM 1430 CA GLY A 111 17.759 7.926 -3.940 1.00 0.00 C ATOM 1431 C GLY A 111 16.589 7.289 -4.677 1.00 0.00 C ATOM 1432 O GLY A 111 16.103 6.226 -4.290 1.00 0.00 O ATOM 0 H GLY A 111 19.150 6.619 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 111 17.476 8.126 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 111 18.000 8.886 -4.396 1.00 0.00 H new ATOM 1436 N ASN A 112 16.140 7.944 -5.743 1.00 0.00 N ATOM 1437 CA ASN A 112 15.000 7.462 -6.514 1.00 0.00 C ATOM 1438 C ASN A 112 15.430 6.427 -7.545 1.00 0.00 C ATOM 1439 O ASN A 112 16.581 5.989 -7.556 1.00 0.00 O ATOM 1440 CB ASN A 112 14.282 8.619 -7.185 1.00 0.00 C ATOM 1441 CG ASN A 112 15.095 9.243 -8.285 1.00 0.00 C ATOM 1442 OD1 ASN A 112 16.024 8.623 -8.816 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.764 10.458 -8.639 1.00 0.00 N ATOM 0 H ASN A 112 16.549 8.811 -6.093 1.00 0.00 H new ATOM 0 HA ASN A 112 14.309 6.979 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.335 8.267 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 112 14.045 9.377 -6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.280 10.931 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.990 10.932 -8.173 1.00 0.00 H new ATOM 1450 N LYS A 113 14.500 6.040 -8.412 1.00 0.00 N ATOM 1451 CA LYS A 113 14.700 4.893 -9.289 1.00 0.00 C ATOM 1452 C LYS A 113 15.555 5.262 -10.494 1.00 0.00 C ATOM 1453 O LYS A 113 15.968 4.395 -11.264 1.00 0.00 O ATOM 1454 CB LYS A 113 13.354 4.331 -9.750 1.00 0.00 C ATOM 1455 CG LYS A 113 12.486 3.777 -8.629 1.00 0.00 C ATOM 1456 CD LYS A 113 11.083 3.457 -9.123 1.00 0.00 C ATOM 1457 CE LYS A 113 11.079 2.232 -10.026 1.00 0.00 C ATOM 1458 NZ LYS A 113 9.715 1.915 -10.528 1.00 0.00 N1+ ATOM 0 H LYS A 113 13.599 6.505 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 113 15.227 4.127 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.803 5.118 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.535 3.540 -10.478 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.945 2.876 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.431 4.502 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.426 3.285 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.683 4.313 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.746 2.402 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.472 1.376 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.757 1.074 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.084 1.727 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.350 2.722 -11.073 1.00 0.00 H new ATOM 1472 N ASN A 114 15.817 6.555 -10.653 1.00 0.00 N ATOM 1473 CA ASN A 114 16.589 7.046 -11.788 1.00 0.00 C ATOM 1474 C ASN A 114 18.070 6.726 -11.627 1.00 0.00 C ATOM 1475 O ASN A 114 18.818 7.492 -11.021 1.00 0.00 O ATOM 1476 CB ASN A 114 16.382 8.539 -11.968 1.00 0.00 C ATOM 1477 CG ASN A 114 16.994 9.057 -13.240 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.998 8.522 -13.724 1.00 0.00 O ATOM 1479 ND2 ASN A 114 16.408 10.089 -13.792 1.00 0.00 N ATOM 0 H ASN A 114 15.506 7.282 -10.009 1.00 0.00 H new ATOM 0 HA ASN A 114 16.231 6.536 -12.682 1.00 0.00 H new ATOM 0 HB2 ASN A 114 15.314 8.757 -11.968 1.00 0.00 H new ATOM 0 HB3 ASN A 114 16.815 9.067 -11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.778 10.484 -14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 114 15.581 10.499 -13.358 1.00 0.00 H new ATOM 1486 N ASN A 115 18.487 5.589 -12.175 1.00 0.00 N ATOM 1487 CA ASN A 115 19.885 5.181 -12.122 1.00 0.00 C ATOM 1488 C ASN A 115 20.153 4.011 -13.060 1.00 0.00 C ATOM 1489 O ASN A 115 19.828 2.866 -12.747 1.00 0.00 O ATOM 1490 CB ASN A 115 20.286 4.830 -10.701 1.00 0.00 C ATOM 1491 CG ASN A 115 21.755 4.535 -10.572 1.00 0.00 C ATOM 1492 OD1 ASN A 115 22.442 4.289 -11.570 1.00 0.00 O ATOM 1493 ND2 ASN A 115 22.250 4.554 -9.360 1.00 0.00 N ATOM 0 H ASN A 115 17.875 4.934 -12.661 1.00 0.00 H new ATOM 0 HA ASN A 115 20.492 6.023 -12.455 1.00 0.00 H new ATOM 0 HB2 ASN A 115 20.025 5.656 -10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 115 19.714 3.963 -10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 115 23.240 4.361 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 115 21.645 4.762 -8.565 1.00 0.00 H new ATOM 1500 N PHE A 116 20.749 4.305 -14.210 1.00 0.00 N ATOM 1501 CA PHE A 116 20.778 3.362 -15.321 1.00 0.00 C ATOM 1502 C PHE A 116 22.188 2.839 -15.564 1.00 0.00 C ATOM 1503 O PHE A 116 23.171 3.483 -15.196 1.00 0.00 O ATOM 1504 CB PHE A 116 20.246 4.021 -16.596 1.00 0.00 C ATOM 1505 CG PHE A 116 18.853 4.566 -16.460 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.643 5.897 -16.129 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.750 3.751 -16.662 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.362 6.400 -16.004 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.468 4.251 -16.538 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.275 5.577 -16.209 1.00 0.00 C ATOM 0 H PHE A 116 21.219 5.191 -14.397 1.00 0.00 H new ATOM 0 HA PHE A 116 20.138 2.520 -15.057 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.917 4.831 -16.882 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.263 3.291 -17.406 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.490 6.547 -15.967 1.00 0.00 H new ATOM 0 HD2 PHE A 116 17.895 2.712 -16.920 1.00 0.00 H new ATOM 0 HE1 PHE A 116 17.212 7.438 -15.746 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.618 3.605 -16.698 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.274 5.970 -16.112 1.00 0.00 H new ATOM 1520 N GLU A 117 22.281 1.669 -16.186 1.00 0.00 N ATOM 1521 CA GLU A 117 23.572 1.072 -16.506 1.00 0.00 C ATOM 1522 C GLU A 117 24.142 1.650 -17.795 1.00 0.00 C ATOM 1523 O GLU A 117 25.357 1.683 -17.987 1.00 0.00 O ATOM 1524 CB GLU A 117 23.440 -0.448 -16.633 1.00 0.00 C ATOM 1525 CG GLU A 117 22.981 -1.147 -15.361 1.00 0.00 C ATOM 1526 CD GLU A 117 23.914 -0.925 -14.203 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.100 -0.868 -14.422 1.00 0.00 O ATOM 1528 OE2 GLU A 117 23.439 -0.812 -13.097 1.00 0.00 O1- ATOM 0 H GLU A 117 21.476 1.115 -16.479 1.00 0.00 H new ATOM 0 HA GLU A 117 24.258 1.306 -15.692 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.734 -0.674 -17.432 1.00 0.00 H new ATOM 0 HB3 GLU A 117 24.403 -0.861 -16.933 1.00 0.00 H new ATOM 0 HG2 GLU A 117 21.987 -0.789 -15.094 1.00 0.00 H new ATOM 0 HG3 GLU A 117 22.894 -2.217 -15.551 1.00 0.00 H new ATOM 1535 N SER A 118 23.257 2.106 -18.675 1.00 0.00 N ATOM 1536 CA SER A 118 23.668 2.637 -19.970 1.00 0.00 C ATOM 1537 C SER A 118 22.668 3.661 -20.488 1.00 0.00 C ATOM 1538 O SER A 118 21.533 3.730 -20.015 1.00 0.00 O ATOM 1539 CB SER A 118 23.816 1.509 -20.973 1.00 0.00 C ATOM 1540 OG SER A 118 22.573 0.933 -21.267 1.00 0.00 O ATOM 0 H SER A 118 22.250 2.119 -18.515 1.00 0.00 H new ATOM 0 HA SER A 118 24.629 3.134 -19.840 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.271 1.888 -21.888 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.488 0.749 -20.575 1.00 0.00 H new ATOM 0 HG SER A 118 22.693 0.209 -21.917 1.00 0.00 H new ATOM 1546 N GLU A 119 23.094 4.457 -21.463 1.00 0.00 N ATOM 1547 CA GLU A 119 22.211 5.424 -22.104 1.00 0.00 C ATOM 1548 C GLU A 119 21.170 4.728 -22.972 1.00 0.00 C ATOM 1549 O GLU A 119 20.141 5.312 -23.311 1.00 0.00 O ATOM 1550 CB GLU A 119 23.023 6.406 -22.953 1.00 0.00 C ATOM 1551 CG GLU A 119 23.697 5.780 -24.166 1.00 0.00 C ATOM 1552 CD GLU A 119 25.010 5.128 -23.834 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.163 4.674 -22.726 1.00 0.00 O ATOM 1554 OE2 GLU A 119 25.861 5.084 -24.691 1.00 0.00 O1- ATOM 0 H GLU A 119 24.047 4.451 -21.827 1.00 0.00 H new ATOM 0 HA GLU A 119 21.692 5.973 -21.319 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.364 7.206 -23.291 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.786 6.865 -22.325 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.029 5.038 -24.604 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.859 6.548 -24.922 1.00 0.00 H new ATOM 1561 N GLU A 120 21.444 3.478 -23.328 1.00 0.00 N ATOM 1562 CA GLU A 120 20.475 2.654 -24.041 1.00 0.00 C ATOM 1563 C GLU A 120 19.341 2.219 -23.122 1.00 0.00 C ATOM 1564 O GLU A 120 18.176 2.203 -23.522 1.00 0.00 O ATOM 1565 CB GLU A 120 21.159 1.424 -24.640 1.00 0.00 C ATOM 1566 CG GLU A 120 22.135 1.733 -25.767 1.00 0.00 C ATOM 1567 CD GLU A 120 21.471 2.359 -26.961 1.00 0.00 C ATOM 1568 OE1 GLU A 120 20.478 1.836 -27.407 1.00 0.00 O ATOM 1569 OE2 GLU A 120 21.956 3.363 -27.428 1.00 0.00 O1- ATOM 0 H GLU A 120 22.331 3.012 -23.134 1.00 0.00 H new ATOM 0 HA GLU A 120 20.053 3.256 -24.846 1.00 0.00 H new ATOM 0 HB2 GLU A 120 21.692 0.898 -23.848 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.394 0.744 -25.015 1.00 0.00 H new ATOM 0 HG2 GLU A 120 22.910 2.403 -25.396 1.00 0.00 H new ATOM 0 HG3 GLU A 120 22.630 0.812 -26.074 1.00 0.00 H new ATOM 1576 N GLU A 121 19.687 1.868 -21.888 1.00 0.00 N ATOM 1577 CA GLU A 121 18.690 1.529 -20.880 1.00 0.00 C ATOM 1578 C GLU A 121 17.787 2.717 -20.577 1.00 0.00 C ATOM 1579 O GLU A 121 16.575 2.564 -20.419 1.00 0.00 O ATOM 1580 CB GLU A 121 19.371 1.053 -19.595 1.00 0.00 C ATOM 1581 CG GLU A 121 18.419 0.484 -18.552 1.00 0.00 C ATOM 1582 CD GLU A 121 19.124 0.018 -17.309 1.00 0.00 C ATOM 1583 OE1 GLU A 121 20.325 0.137 -17.250 1.00 0.00 O ATOM 1584 OE2 GLU A 121 18.462 -0.456 -16.417 1.00 0.00 O1- ATOM 0 H GLU A 121 20.652 1.811 -21.562 1.00 0.00 H new ATOM 0 HA GLU A 121 18.074 0.723 -21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.109 0.292 -19.850 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.915 1.889 -19.155 1.00 0.00 H new ATOM 0 HG2 GLU A 121 17.685 1.244 -18.284 1.00 0.00 H new ATOM 0 HG3 GLU A 121 17.869 -0.351 -18.986 1.00 0.00 H new ATOM 1591 N CYS A 122 18.383 3.902 -20.497 1.00 0.00 N ATOM 1592 CA CYS A 122 17.619 5.137 -20.368 1.00 0.00 C ATOM 1593 C CYS A 122 16.523 5.219 -21.423 1.00 0.00 C ATOM 1594 O CYS A 122 15.350 5.409 -21.100 1.00 0.00 O ATOM 1595 CB CYS A 122 18.536 6.353 -20.498 1.00 0.00 C ATOM 1596 SG CYS A 122 19.612 6.623 -19.070 1.00 0.00 S ATOM 0 H CYS A 122 19.394 4.033 -20.519 1.00 0.00 H new ATOM 0 HA CYS A 122 17.158 5.134 -19.380 1.00 0.00 H new ATOM 0 HB2 CYS A 122 19.154 6.235 -21.388 1.00 0.00 H new ATOM 0 HB3 CYS A 122 17.924 7.242 -20.651 1.00 0.00 H new ATOM 1601 N LYS A 123 16.911 5.075 -22.685 1.00 0.00 N ATOM 1602 CA LYS A 123 15.977 5.218 -23.795 1.00 0.00 C ATOM 1603 C LYS A 123 14.893 4.148 -23.745 1.00 0.00 C ATOM 1604 O LYS A 123 13.711 4.439 -23.927 1.00 0.00 O ATOM 1605 CB LYS A 123 16.718 5.153 -25.131 1.00 0.00 C ATOM 1606 CG LYS A 123 17.565 6.380 -25.441 1.00 0.00 C ATOM 1607 CD LYS A 123 18.176 6.293 -26.832 1.00 0.00 C ATOM 1608 CE LYS A 123 19.323 5.293 -26.872 1.00 0.00 C ATOM 1609 NZ LYS A 123 20.028 5.308 -28.183 1.00 0.00 N1+ ATOM 0 H LYS A 123 17.868 4.859 -22.965 1.00 0.00 H new ATOM 0 HA LYS A 123 15.498 6.193 -23.703 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.361 4.273 -25.134 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.989 5.018 -25.930 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.950 7.277 -25.367 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.357 6.475 -24.699 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.410 6.000 -27.550 1.00 0.00 H new ATOM 0 HD3 LYS A 123 18.537 7.276 -27.135 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.032 5.522 -26.076 1.00 0.00 H new ATOM 0 HE3 LYS A 123 18.938 4.292 -26.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.812 4.625 -28.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.362 5.048 -28.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.403 6.261 -28.365 1.00 0.00 H new ATOM 1623 N GLU A 124 15.303 2.910 -23.495 1.00 0.00 N ATOM 1624 CA GLU A 124 14.381 1.781 -23.505 1.00 0.00 C ATOM 1625 C GLU A 124 13.393 1.867 -22.349 1.00 0.00 C ATOM 1626 O GLU A 124 12.235 1.468 -22.478 1.00 0.00 O ATOM 1627 CB GLU A 124 15.152 0.461 -23.432 1.00 0.00 C ATOM 1628 CG GLU A 124 15.986 0.151 -24.668 1.00 0.00 C ATOM 1629 CD GLU A 124 15.157 0.025 -25.916 1.00 0.00 C ATOM 1630 OE1 GLU A 124 14.204 -0.716 -25.901 1.00 0.00 O ATOM 1631 OE2 GLU A 124 15.478 0.671 -26.886 1.00 0.00 O1- ATOM 0 H GLU A 124 16.269 2.663 -23.283 1.00 0.00 H new ATOM 0 HA GLU A 124 13.821 1.817 -24.439 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.809 0.485 -22.562 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.443 -0.352 -23.274 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.726 0.939 -24.808 1.00 0.00 H new ATOM 0 HG3 GLU A 124 16.534 -0.777 -24.507 1.00 0.00 H new ATOM 1638 N THR A 125 13.857 2.389 -21.218 1.00 0.00 N ATOM 1639 CA THR A 125 12.989 2.627 -20.072 1.00 0.00 C ATOM 1640 C THR A 125 11.901 3.641 -20.405 1.00 0.00 C ATOM 1641 O THR A 125 10.746 3.479 -20.011 1.00 0.00 O ATOM 1642 CB THR A 125 13.797 3.118 -18.856 1.00 0.00 C ATOM 1643 OG1 THR A 125 14.756 2.119 -18.483 1.00 0.00 O ATOM 1644 CG2 THR A 125 12.876 3.395 -17.679 1.00 0.00 C ATOM 0 H THR A 125 14.831 2.655 -21.071 1.00 0.00 H new ATOM 0 HA THR A 125 12.518 1.676 -19.822 1.00 0.00 H new ATOM 0 HB THR A 125 14.309 4.041 -19.128 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.599 2.283 -18.955 1.00 0.00 H new ATOM 0 HG21 THR A 125 13.465 3.741 -16.830 1.00 0.00 H new ATOM 0 HG22 THR A 125 12.153 4.162 -17.956 1.00 0.00 H new ATOM 0 HG23 THR A 125 12.349 2.481 -17.407 1.00 0.00 H new ATOM 1652 N CYS A 126 12.277 4.687 -21.133 1.00 0.00 N ATOM 1653 CA CYS A 126 11.329 5.715 -21.544 1.00 0.00 C ATOM 1654 C CYS A 126 10.360 5.184 -22.592 1.00 0.00 C ATOM 1655 O CYS A 126 9.209 5.615 -22.663 1.00 0.00 O ATOM 1656 CB CYS A 126 12.065 6.931 -22.108 1.00 0.00 C ATOM 1657 SG CYS A 126 12.995 7.870 -20.872 1.00 0.00 S ATOM 0 H CYS A 126 13.233 4.845 -21.451 1.00 0.00 H new ATOM 0 HA CYS A 126 10.764 6.010 -20.660 1.00 0.00 H new ATOM 0 HB2 CYS A 126 12.751 6.598 -22.887 1.00 0.00 H new ATOM 0 HB3 CYS A 126 11.341 7.593 -22.582 1.00 0.00 H new ATOM 1662 N LYS A 127 10.832 4.244 -23.405 1.00 0.00 N ATOM 1663 CA LYS A 127 9.969 3.543 -24.348 1.00 0.00 C ATOM 1664 C LYS A 127 8.927 2.702 -23.621 1.00 0.00 C ATOM 1665 O LYS A 127 7.795 2.563 -24.084 1.00 0.00 O ATOM 1666 CB LYS A 127 10.800 2.661 -25.280 1.00 0.00 C ATOM 1667 CG LYS A 127 11.655 3.430 -26.278 1.00 0.00 C ATOM 1668 CD LYS A 127 12.475 2.488 -27.146 1.00 0.00 C ATOM 1669 CE LYS A 127 13.451 3.253 -28.027 1.00 0.00 C ATOM 1670 NZ LYS A 127 14.302 2.341 -28.839 1.00 0.00 N1+ ATOM 0 H LYS A 127 11.808 3.950 -23.429 1.00 0.00 H new ATOM 0 HA LYS A 127 9.447 4.292 -24.943 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.449 2.027 -24.677 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.129 2.000 -25.829 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.015 4.045 -26.910 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.321 4.107 -25.743 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.024 1.792 -26.512 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.808 1.893 -27.770 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.897 3.918 -28.690 1.00 0.00 H new ATOM 0 HE3 LYS A 127 14.086 3.882 -27.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.009 2.898 -29.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.786 1.668 -28.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.707 1.819 -29.513 1.00 0.00 H new ATOM 1684 N GLY A 128 9.316 2.143 -22.481 1.00 0.00 N ATOM 1685 CA GLY A 128 8.392 1.389 -21.643 1.00 0.00 C ATOM 1686 C GLY A 128 8.787 -0.081 -21.571 1.00 0.00 C ATOM 1687 O GLY A 128 7.930 -0.961 -21.490 1.00 0.00 O ATOM 0 H GLY A 128 10.267 2.198 -22.116 1.00 0.00 H new ATOM 0 HA2 GLY A 128 8.378 1.814 -20.639 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.381 1.478 -22.041 1.00 0.00 H new ATOM 1691 N PHE A 129 10.089 -0.340 -21.602 1.00 0.00 N ATOM 1692 CA PHE A 129 10.601 -1.703 -21.518 1.00 0.00 C ATOM 1693 C PHE A 129 11.330 -1.937 -20.201 1.00 0.00 C ATOM 1694 O PHE A 129 12.300 -2.693 -20.142 1.00 0.00 O ATOM 1695 CB PHE A 129 11.545 -1.993 -22.687 1.00 0.00 C ATOM 1696 CG PHE A 129 10.885 -1.905 -24.033 1.00 0.00 C ATOM 1697 CD1 PHE A 129 11.208 -0.884 -24.915 1.00 0.00 C ATOM 1698 CD2 PHE A 129 9.940 -2.843 -24.422 1.00 0.00 C ATOM 1699 CE1 PHE A 129 10.602 -0.803 -26.154 1.00 0.00 C ATOM 1700 CE2 PHE A 129 9.334 -2.765 -25.660 1.00 0.00 C ATOM 1701 CZ PHE A 129 9.665 -1.743 -26.527 1.00 0.00 C ATOM 0 H PHE A 129 10.810 0.377 -21.685 1.00 0.00 H new ATOM 0 HA PHE A 129 9.748 -2.380 -21.567 1.00 0.00 H new ATOM 0 HB2 PHE A 129 12.377 -1.290 -22.654 1.00 0.00 H new ATOM 0 HB3 PHE A 129 11.966 -2.991 -22.563 1.00 0.00 H new ATOM 0 HD1 PHE A 129 11.941 -0.144 -24.630 1.00 0.00 H new ATOM 0 HD2 PHE A 129 9.675 -3.644 -23.748 1.00 0.00 H new ATOM 0 HE1 PHE A 129 10.863 -0.003 -26.831 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.601 -3.503 -25.950 1.00 0.00 H new ATOM 0 HZ PHE A 129 9.191 -1.680 -27.495 1.00 0.00 H new ATOM 1711 N SER A 130 10.858 -1.284 -19.145 1.00 0.00 N ATOM 1712 CA SER A 130 11.474 -1.406 -17.829 1.00 0.00 C ATOM 1713 C SER A 130 10.547 -0.891 -16.736 1.00 0.00 C ATOM 1714 O SER A 130 9.656 -1.584 -16.329 1.00 0.00 O ATOM 1715 CB SER A 130 12.785 -0.644 -17.794 1.00 0.00 C ATOM 1716 OG SER A 130 13.376 -0.721 -16.526 1.00 0.00 O ATOM 0 H SER A 130 10.049 -0.663 -19.175 1.00 0.00 H new ATOM 0 HA SER A 130 11.665 -2.463 -17.644 1.00 0.00 H new ATOM 0 HB2 SER A 130 13.466 -1.050 -18.542 1.00 0.00 H new ATOM 0 HB3 SER A 130 12.610 0.400 -18.055 1.00 0.00 H new ATOM 0 HG SER A 130 14.221 -0.224 -16.528 1.00 0.00 H new TER 1722 SER A 130