USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 746 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN : amide:sc= 0.812 K(o=1.7,f=-1.6!) USER MOD Set 1.2: A 110 THR OG1 : rot 6:sc= 0.9 USER MOD Set 2.1: A 23 GLN :FLIP amide:sc= -0.666 F(o=-0.35,f=0.44) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 1.1 K(o=0.44,f=-4.9!) USER MOD Set 3.1: A 35 SER OG : rot 44:sc= 1.09 USER MOD Set 3.2: A 56 ASN : amide:sc= 0.581 K(o=1.7,f=-11!) USER MOD Set 4.1: A 25 THR OG1 : rot -15:sc= 1.04 USER MOD Set 4.2: A 46 GLN : amide:sc= 1.32 K(o=2.4,f=-3.6) USER MOD Set 5.1: A 14 SER OG : rot 130:sc= 1.09 USER MOD Set 5.2: A 67 SER OG : rot 75:sc= 2.2 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 157:sc= 1.28 USER MOD Single : A 33 HIS : no HE2:sc= 0.552 K(o=0.55,f=-2.4!) USER MOD Single : A 36 TYR OH : rot 180:sc=-0.00469 USER MOD Single : A 37 ASN : amide:sc= -0.459 K(o=-0.46,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -12:sc= 0.0293 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 52:sc= 0.506 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.066 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 94 TYR OH : rot 180:sc=-0.000375 USER MOD Single : A 96 THR OG1 : rot -104:sc= 1.22 USER MOD Single : A 97 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.2!) USER MOD Single : A 98 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -142:sc= 0 (180deg=-0.152) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 24:sc= 1.34 USER MOD Single : A 112 ASN : amide:sc= -0.578! C(o=-0.58!,f=-14!) USER MOD Single : A 113 LYS NZ :NH3+ -124:sc= 0.291 (180deg=-0.287) USER MOD Single : A 114 ASN : amide:sc= 2.05 K(o=2,f=-10!) USER MOD Single : A 115 ASN : amide:sc= 0.554 K(o=0.55,f=-11!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 123 LYS NZ :NH3+ -115:sc= 1.19 (180deg=-0.411) USER MOD Single : A 125 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 127 LYS NZ :NH3+ -177:sc= 1.08 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 14 3.940 1.120 0.793 1.00 0.00 N ATOM 17 CA SER A 14 4.278 2.495 1.141 1.00 0.00 C ATOM 18 C SER A 14 4.516 3.337 -0.106 1.00 0.00 C ATOM 19 O SER A 14 4.437 4.565 -0.062 1.00 0.00 O ATOM 20 CB SER A 14 5.511 2.522 2.023 1.00 0.00 C ATOM 21 OG SER A 14 6.641 2.082 1.321 1.00 0.00 O ATOM 0 HA SER A 14 3.435 2.921 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.678 3.535 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.352 1.889 2.896 1.00 0.00 H new ATOM 0 HG SER A 14 7.370 2.727 1.436 1.00 0.00 H new ATOM 27 N TRP A 15 4.809 2.670 -1.217 1.00 0.00 N ATOM 28 CA TRP A 15 5.040 3.354 -2.483 1.00 0.00 C ATOM 29 C TRP A 15 3.792 4.099 -2.943 1.00 0.00 C ATOM 30 O TRP A 15 3.867 4.993 -3.785 1.00 0.00 O ATOM 31 CB TRP A 15 5.467 2.355 -3.560 1.00 0.00 C ATOM 32 CG TRP A 15 4.459 1.273 -3.805 1.00 0.00 C ATOM 33 CD1 TRP A 15 4.480 0.009 -3.297 1.00 0.00 C ATOM 34 CD2 TRP A 15 3.269 1.355 -4.627 1.00 0.00 C ATOM 35 NE1 TRP A 15 3.391 -0.699 -3.744 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.639 0.110 -4.557 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.697 2.371 -5.403 1.00 0.00 C ATOM 38 CZ2 TRP A 15 1.460 -0.154 -5.237 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.514 2.106 -6.083 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.912 0.876 -6.001 1.00 0.00 C ATOM 0 H TRP A 15 4.892 1.655 -1.266 1.00 0.00 H new ATOM 0 HA TRP A 15 5.839 4.079 -2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.646 2.892 -4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.413 1.900 -3.268 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.242 -0.380 -2.638 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.177 -1.668 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.166 3.341 -5.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.984 -1.121 -5.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.062 2.880 -6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.007 0.701 -6.540 1.00 0.00 H new ATOM 51 N VAL A 16 2.647 3.724 -2.384 1.00 0.00 N ATOM 52 CA VAL A 16 1.390 4.397 -2.689 1.00 0.00 C ATOM 53 C VAL A 16 1.423 5.854 -2.246 1.00 0.00 C ATOM 54 O VAL A 16 0.909 6.734 -2.937 1.00 0.00 O ATOM 55 CB VAL A 16 0.217 3.679 -1.994 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.061 4.493 -2.128 1.00 0.00 C ATOM 57 CG2 VAL A 16 0.036 2.290 -2.587 1.00 0.00 C ATOM 0 H VAL A 16 2.563 2.957 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 16 1.251 4.364 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 16 0.443 3.579 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.879 3.971 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.920 5.470 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.301 4.622 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.795 1.788 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.175 2.374 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.948 1.711 -2.442 1.00 0.00 H new ATOM 67 N SER A 17 2.030 6.102 -1.091 1.00 0.00 N ATOM 68 CA SER A 17 2.089 7.447 -0.530 1.00 0.00 C ATOM 69 C SER A 17 2.804 8.406 -1.473 1.00 0.00 C ATOM 70 O SER A 17 2.448 9.581 -1.566 1.00 0.00 O ATOM 71 CB SER A 17 2.796 7.422 0.812 1.00 0.00 C ATOM 72 OG SER A 17 2.038 6.729 1.765 1.00 0.00 O ATOM 0 H SER A 17 2.489 5.389 -0.524 1.00 0.00 H new ATOM 0 HA SER A 17 1.067 7.800 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.772 6.949 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.972 8.442 1.154 1.00 0.00 H new ATOM 0 HG SER A 17 2.514 6.725 2.622 1.00 0.00 H new ATOM 78 N CYS A 18 3.814 7.899 -2.171 1.00 0.00 N ATOM 79 CA CYS A 18 4.578 8.709 -3.112 1.00 0.00 C ATOM 80 C CYS A 18 3.688 9.250 -4.223 1.00 0.00 C ATOM 81 O CYS A 18 3.974 10.295 -4.807 1.00 0.00 O ATOM 82 CB CYS A 18 5.713 7.891 -3.729 1.00 0.00 C ATOM 83 SG CYS A 18 7.030 7.461 -2.566 1.00 0.00 S ATOM 0 H CYS A 18 4.123 6.929 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 18 4.996 9.548 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.299 6.974 -4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.144 8.454 -4.557 1.00 0.00 H new ATOM 88 N LEU A 19 2.607 8.533 -4.510 1.00 0.00 N ATOM 89 CA LEU A 19 1.714 8.898 -5.603 1.00 0.00 C ATOM 90 C LEU A 19 0.461 9.590 -5.083 1.00 0.00 C ATOM 91 O LEU A 19 -0.463 9.878 -5.845 1.00 0.00 O ATOM 92 CB LEU A 19 1.321 7.651 -6.405 1.00 0.00 C ATOM 93 CG LEU A 19 2.482 6.879 -7.046 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.943 5.638 -7.746 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.214 7.784 -8.026 1.00 0.00 C ATOM 0 H LEU A 19 2.328 7.695 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 19 2.247 9.593 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.779 6.973 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.630 7.951 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 19 3.187 6.562 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.768 5.090 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.440 5.000 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.234 5.935 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.039 7.236 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.524 8.113 -8.803 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.605 8.653 -7.497 1.00 0.00 H new ATOM 107 N ASP A 20 0.434 9.855 -3.782 1.00 0.00 N ATOM 108 CA ASP A 20 -0.702 10.523 -3.159 1.00 0.00 C ATOM 109 C ASP A 20 -0.497 12.032 -3.114 1.00 0.00 C ATOM 110 O ASP A 20 0.623 12.520 -3.263 1.00 0.00 O ATOM 111 CB ASP A 20 -0.927 9.991 -1.741 1.00 0.00 C ATOM 112 CG ASP A 20 -1.522 8.589 -1.722 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.115 8.204 -2.701 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.376 7.917 -0.729 1.00 0.00 O1- ATOM 0 H ASP A 20 1.188 9.617 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.582 10.311 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.022 9.985 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.591 10.669 -1.205 1.00 0.00 H new ATOM 119 N PRO A 21 -1.585 12.766 -2.909 1.00 0.00 N ATOM 120 CA PRO A 21 -1.515 14.215 -2.760 1.00 0.00 C ATOM 121 C PRO A 21 -0.491 14.611 -1.705 1.00 0.00 C ATOM 122 O PRO A 21 -0.449 14.033 -0.619 1.00 0.00 O ATOM 123 CB PRO A 21 -2.939 14.586 -2.334 1.00 0.00 C ATOM 124 CG PRO A 21 -3.792 13.528 -2.945 1.00 0.00 C ATOM 125 CD PRO A 21 -2.982 12.267 -2.804 1.00 0.00 C ATOM 0 HA PRO A 21 -1.196 14.728 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.039 14.600 -1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.216 15.577 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.750 13.444 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.008 13.747 -3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.165 11.772 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.215 11.546 -3.587 1.00 0.00 H new ATOM 133 N GLU A 22 0.333 15.601 -2.030 1.00 0.00 N ATOM 134 CA GLU A 22 1.424 16.010 -1.153 1.00 0.00 C ATOM 135 C GLU A 22 0.905 16.407 0.223 1.00 0.00 C ATOM 136 O GLU A 22 -0.161 17.011 0.344 1.00 0.00 O ATOM 137 CB GLU A 22 2.199 17.174 -1.772 1.00 0.00 C ATOM 138 CG GLU A 22 3.037 16.797 -2.986 1.00 0.00 C ATOM 139 CD GLU A 22 2.243 16.774 -4.261 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.064 17.032 -4.210 1.00 0.00 O ATOM 141 OE2 GLU A 22 2.815 16.496 -5.289 1.00 0.00 O1- ATOM 0 H GLU A 22 0.266 16.136 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 22 2.093 15.158 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.492 17.952 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.853 17.603 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.858 17.506 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.482 15.815 -2.823 1.00 0.00 H new ATOM 148 N GLN A 23 1.664 16.065 1.258 1.00 0.00 N ATOM 149 CA GLN A 23 1.399 16.565 2.602 1.00 0.00 C ATOM 150 C GLN A 23 1.630 18.068 2.686 1.00 0.00 C ATOM 151 O GLN A 23 2.684 18.567 2.290 1.00 0.00 O ATOM 152 CB GLN A 23 2.278 15.842 3.626 1.00 0.00 C ATOM 153 CG GLN A 23 2.262 16.467 5.010 1.00 0.00 C ATOM 154 CD GLN A 23 0.911 16.340 5.687 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.351 17.469 6.106 1.00 0.00 O flip ATOM 156 NE2 GLN A 23 0.375 15.238 5.833 1.00 0.00 N flip ATOM 0 H GLN A 23 2.469 15.442 1.192 1.00 0.00 H new ATOM 0 HA GLN A 23 0.352 16.367 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.949 14.806 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.304 15.824 3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.022 15.991 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.529 17.521 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.841 14.396 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.534 15.170 6.291 1.00 0.00 H new ATOM 165 N VAL A 24 0.640 18.786 3.205 1.00 0.00 N ATOM 166 CA VAL A 24 0.702 20.241 3.272 1.00 0.00 C ATOM 167 C VAL A 24 1.682 20.701 4.344 1.00 0.00 C ATOM 168 O VAL A 24 1.645 20.224 5.478 1.00 0.00 O ATOM 169 CB VAL A 24 -0.693 20.822 3.572 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.609 22.327 3.781 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.648 20.488 2.436 1.00 0.00 C ATOM 0 H VAL A 24 -0.216 18.383 3.586 1.00 0.00 H new ATOM 0 HA VAL A 24 1.048 20.603 2.304 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.073 20.374 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.603 22.721 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.052 22.541 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.216 22.798 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.632 20.902 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.272 20.917 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.724 19.406 2.331 1.00 0.00 H new ATOM 181 N THR A 25 2.557 21.631 3.979 1.00 0.00 N ATOM 182 CA THR A 25 3.486 22.226 4.932 1.00 0.00 C ATOM 183 C THR A 25 2.743 22.921 6.066 1.00 0.00 C ATOM 184 O THR A 25 1.816 23.695 5.830 1.00 0.00 O ATOM 185 CB THR A 25 4.426 23.229 4.238 1.00 0.00 C ATOM 186 OG1 THR A 25 5.140 22.569 3.185 1.00 0.00 O ATOM 187 CG2 THR A 25 5.420 23.806 5.235 1.00 0.00 C ATOM 0 H THR A 25 2.642 21.990 3.028 1.00 0.00 H new ATOM 0 HA THR A 25 4.083 21.415 5.350 1.00 0.00 H new ATOM 0 HB THR A 25 3.826 24.041 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.057 21.598 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.076 24.513 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.881 24.319 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.016 23.000 5.662 1.00 0.00 H new ATOM 195 N CYS A 26 3.155 22.639 7.297 1.00 0.00 N ATOM 196 CA CYS A 26 2.452 23.137 8.473 1.00 0.00 C ATOM 197 C CYS A 26 3.306 24.135 9.244 1.00 0.00 C ATOM 198 O CYS A 26 4.513 23.947 9.397 1.00 0.00 O ATOM 199 CB CYS A 26 2.066 21.983 9.398 1.00 0.00 C ATOM 200 SG CYS A 26 1.023 22.470 10.793 1.00 0.00 S ATOM 0 H CYS A 26 3.973 22.067 7.506 1.00 0.00 H new ATOM 0 HA CYS A 26 1.550 23.641 8.125 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.544 21.224 8.816 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.975 21.520 9.782 1.00 0.00 H new ATOM 263 N GLY A 31 8.303 19.269 14.372 1.00 0.00 N ATOM 264 CA GLY A 31 9.062 18.258 13.645 1.00 0.00 C ATOM 265 C GLY A 31 8.902 18.427 12.140 1.00 0.00 C ATOM 266 O GLY A 31 8.200 19.327 11.677 1.00 0.00 O ATOM 0 HA2 GLY A 31 10.116 18.329 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.725 17.264 13.940 1.00 0.00 H new ATOM 270 N THR A 32 9.555 17.556 11.379 1.00 0.00 N ATOM 271 CA THR A 32 9.528 17.637 9.923 1.00 0.00 C ATOM 272 C THR A 32 9.098 16.313 9.306 1.00 0.00 C ATOM 273 O THR A 32 8.858 15.335 10.014 1.00 0.00 O ATOM 274 CB THR A 32 10.903 18.046 9.365 1.00 0.00 C ATOM 275 OG1 THR A 32 11.844 16.987 9.582 1.00 0.00 O ATOM 276 CG2 THR A 32 11.402 19.310 10.048 1.00 0.00 C ATOM 0 H THR A 32 10.111 16.784 11.747 1.00 0.00 H new ATOM 0 HA THR A 32 8.798 18.401 9.656 1.00 0.00 H new ATOM 0 HB THR A 32 10.802 18.238 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.575 17.060 8.933 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.375 19.584 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.695 20.121 9.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.494 19.132 11.119 1.00 0.00 H new ATOM 284 N HIS A 33 9.002 16.287 7.981 1.00 0.00 N ATOM 285 CA HIS A 33 8.644 15.070 7.262 1.00 0.00 C ATOM 286 C HIS A 33 9.203 15.083 5.845 1.00 0.00 C ATOM 287 O HIS A 33 9.551 16.138 5.314 1.00 0.00 O ATOM 288 CB HIS A 33 7.123 14.896 7.215 1.00 0.00 C ATOM 289 CG HIS A 33 6.414 15.991 6.481 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.947 17.127 7.109 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.092 16.125 5.173 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.368 17.913 6.217 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.443 17.327 5.036 1.00 0.00 N ATOM 0 H HIS A 33 9.167 17.096 7.383 1.00 0.00 H new ATOM 0 HA HIS A 33 9.082 14.230 7.801 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.890 13.943 6.741 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.740 14.847 8.234 1.00 0.00 H new ATOM 0 HD1 HIS A 33 6.035 17.329 8.105 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.306 15.418 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.912 18.871 6.420 1.00 0.00 H new ATOM 301 N ALA A 34 9.286 13.905 5.236 1.00 0.00 N ATOM 302 CA ALA A 34 9.689 13.791 3.840 1.00 0.00 C ATOM 303 C ALA A 34 8.500 13.455 2.948 1.00 0.00 C ATOM 304 O ALA A 34 7.646 12.648 3.315 1.00 0.00 O ATOM 305 CB ALA A 34 10.778 12.739 3.687 1.00 0.00 C ATOM 0 H ALA A 34 9.079 13.015 5.689 1.00 0.00 H new ATOM 0 HA ALA A 34 10.084 14.757 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.068 12.666 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.644 13.023 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.402 11.774 4.028 1.00 0.00 H new ATOM 311 N SER A 35 8.450 14.080 1.777 1.00 0.00 N ATOM 312 CA SER A 35 7.309 13.938 0.881 1.00 0.00 C ATOM 313 C SER A 35 7.743 14.000 -0.578 1.00 0.00 C ATOM 314 O SER A 35 8.622 14.782 -0.941 1.00 0.00 O ATOM 315 CB SER A 35 6.287 15.023 1.161 1.00 0.00 C ATOM 316 OG SER A 35 5.208 14.938 0.271 1.00 0.00 O ATOM 0 H SER A 35 9.188 14.691 1.426 1.00 0.00 H new ATOM 0 HA SER A 35 6.859 12.962 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.926 14.932 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.758 16.002 1.075 1.00 0.00 H new ATOM 0 HG SER A 35 4.932 14.002 0.180 1.00 0.00 H new ATOM 322 N TYR A 36 7.122 13.172 -1.411 1.00 0.00 N ATOM 323 CA TYR A 36 7.429 13.145 -2.836 1.00 0.00 C ATOM 324 C TYR A 36 6.694 14.253 -3.579 1.00 0.00 C ATOM 325 O TYR A 36 5.480 14.185 -3.772 1.00 0.00 O ATOM 326 CB TYR A 36 7.076 11.781 -3.434 1.00 0.00 C ATOM 327 CG TYR A 36 7.411 11.654 -4.903 1.00 0.00 C ATOM 328 CD1 TYR A 36 8.700 11.322 -5.294 1.00 0.00 C ATOM 329 CD2 TYR A 36 6.430 11.870 -5.860 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.006 11.205 -6.637 1.00 0.00 C ATOM 331 CE2 TYR A 36 6.737 11.753 -7.202 1.00 0.00 C ATOM 332 CZ TYR A 36 8.019 11.423 -7.591 1.00 0.00 C ATOM 333 OH TYR A 36 8.323 11.307 -8.927 1.00 0.00 O ATOM 0 H TYR A 36 6.402 12.510 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 36 8.500 13.313 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.605 11.005 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.010 11.599 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.464 11.155 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.427 12.130 -5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.008 10.945 -6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.973 11.920 -7.947 1.00 0.00 H new ATOM 0 HH TYR A 36 7.522 11.490 -9.462 1.00 0.00 H new ATOM 343 N ASN A 37 7.436 15.274 -3.993 1.00 0.00 N ATOM 344 CA ASN A 37 6.850 16.418 -4.682 1.00 0.00 C ATOM 345 C ASN A 37 6.713 16.151 -6.175 1.00 0.00 C ATOM 346 O ASN A 37 7.703 16.141 -6.907 1.00 0.00 O ATOM 347 CB ASN A 37 7.674 17.669 -4.436 1.00 0.00 C ATOM 348 CG ASN A 37 7.037 18.902 -5.013 1.00 0.00 C ATOM 349 OD1 ASN A 37 6.288 18.829 -5.994 1.00 0.00 O ATOM 350 ND2 ASN A 37 7.320 20.036 -4.423 1.00 0.00 N ATOM 0 H ASN A 37 8.446 15.333 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 37 5.850 16.577 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.812 17.804 -3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.665 17.539 -4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.917 20.906 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.943 20.049 -3.616 1.00 0.00 H new ATOM 357 N ARG A 38 5.481 15.936 -6.622 1.00 0.00 N ATOM 358 CA ARG A 38 5.229 15.458 -7.976 1.00 0.00 C ATOM 359 C ARG A 38 5.503 16.547 -9.005 1.00 0.00 C ATOM 360 O ARG A 38 5.662 16.267 -10.193 1.00 0.00 O ATOM 361 CB ARG A 38 3.791 14.981 -8.117 1.00 0.00 C ATOM 362 CG ARG A 38 3.445 13.744 -7.304 1.00 0.00 C ATOM 363 CD ARG A 38 1.987 13.458 -7.332 1.00 0.00 C ATOM 364 NE ARG A 38 1.216 14.515 -6.698 1.00 0.00 N ATOM 365 CZ ARG A 38 -0.130 14.586 -6.700 1.00 0.00 C ATOM 366 NH1 ARG A 38 -0.836 13.657 -7.305 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 -0.739 15.590 -6.093 1.00 0.00 N ATOM 0 H ARG A 38 4.640 16.086 -6.065 1.00 0.00 H new ATOM 0 HA ARG A 38 5.906 14.624 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.124 15.791 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.594 14.774 -9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.992 12.886 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.769 13.884 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.660 13.339 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.792 12.513 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 38 1.729 15.254 -6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.365 12.882 -7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.855 13.711 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.190 16.310 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.758 15.644 -6.094 1.00 0.00 H new ATOM 381 N LYS A 39 5.558 17.791 -8.541 1.00 0.00 N ATOM 382 CA LYS A 39 5.837 18.923 -9.417 1.00 0.00 C ATOM 383 C LYS A 39 7.319 19.002 -9.760 1.00 0.00 C ATOM 384 O LYS A 39 7.708 19.662 -10.723 1.00 0.00 O ATOM 385 CB LYS A 39 5.377 20.229 -8.766 1.00 0.00 C ATOM 386 CG LYS A 39 3.867 20.361 -8.618 1.00 0.00 C ATOM 387 CD LYS A 39 3.490 21.678 -7.956 1.00 0.00 C ATOM 388 CE LYS A 39 1.982 21.813 -7.811 1.00 0.00 C ATOM 389 NZ LYS A 39 1.599 23.082 -7.133 1.00 0.00 N1+ ATOM 0 H LYS A 39 5.413 18.041 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 39 5.281 18.774 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.835 20.310 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.746 21.066 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.396 20.297 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.483 19.531 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.959 21.741 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.876 22.508 -8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.518 21.774 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.595 20.967 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.563 23.135 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.020 23.109 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.945 23.890 -7.688 1.00 0.00 H new ATOM 403 N THR A 40 8.141 18.325 -8.966 1.00 0.00 N ATOM 404 CA THR A 40 9.582 18.311 -9.189 1.00 0.00 C ATOM 405 C THR A 40 10.065 16.922 -9.587 1.00 0.00 C ATOM 406 O THR A 40 11.105 16.776 -10.228 1.00 0.00 O ATOM 407 CB THR A 40 10.342 18.783 -7.936 1.00 0.00 C ATOM 408 OG1 THR A 40 10.066 17.896 -6.844 1.00 0.00 O ATOM 409 CG2 THR A 40 9.920 20.194 -7.556 1.00 0.00 C ATOM 0 H THR A 40 7.834 17.778 -8.162 1.00 0.00 H new ATOM 0 HA THR A 40 9.788 19.001 -10.007 1.00 0.00 H new ATOM 0 HB THR A 40 11.410 18.780 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.313 17.314 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.467 20.511 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.139 20.874 -8.379 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.850 20.210 -7.348 1.00 0.00 H new ATOM 417 N GLY A 41 9.303 15.904 -9.203 1.00 0.00 N ATOM 418 CA GLY A 41 9.635 14.526 -9.545 1.00 0.00 C ATOM 419 C GLY A 41 10.660 13.950 -8.576 1.00 0.00 C ATOM 420 O GLY A 41 11.427 13.055 -8.929 1.00 0.00 O ATOM 0 H GLY A 41 8.450 16.007 -8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.732 13.916 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.028 14.485 -10.561 1.00 0.00 H new ATOM 424 N GLN A 42 10.667 14.470 -7.353 1.00 0.00 N ATOM 425 CA GLN A 42 11.643 14.057 -6.351 1.00 0.00 C ATOM 426 C GLN A 42 11.124 14.304 -4.941 1.00 0.00 C ATOM 427 O GLN A 42 10.181 15.070 -4.742 1.00 0.00 O ATOM 428 CB GLN A 42 12.968 14.796 -6.557 1.00 0.00 C ATOM 429 CG GLN A 42 12.872 16.303 -6.392 1.00 0.00 C ATOM 430 CD GLN A 42 14.199 16.998 -6.632 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.026 16.532 -7.421 1.00 0.00 O ATOM 432 NE2 GLN A 42 14.411 18.118 -5.950 1.00 0.00 N ATOM 0 H GLN A 42 10.007 15.179 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 42 11.810 12.987 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.701 14.410 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.343 14.574 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.129 16.695 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.521 16.534 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.699 18.467 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.286 18.629 -6.068 1.00 0.00 H new ATOM 441 N CYS A 43 11.744 13.651 -3.964 1.00 0.00 N ATOM 442 CA CYS A 43 11.303 13.747 -2.578 1.00 0.00 C ATOM 443 C CYS A 43 12.084 14.816 -1.824 1.00 0.00 C ATOM 444 O CYS A 43 13.299 14.936 -1.980 1.00 0.00 O ATOM 445 CB CYS A 43 11.469 12.404 -1.866 1.00 0.00 C ATOM 446 SG CYS A 43 10.859 12.390 -0.163 1.00 0.00 S ATOM 0 H CYS A 43 12.555 13.049 -4.107 1.00 0.00 H new ATOM 0 HA CYS A 43 10.249 14.024 -2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.944 11.636 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.525 12.134 -1.864 1.00 0.00 H new ATOM 451 N GLU A 44 11.379 15.590 -1.006 1.00 0.00 N ATOM 452 CA GLU A 44 11.997 16.680 -0.260 1.00 0.00 C ATOM 453 C GLU A 44 11.502 16.712 1.180 1.00 0.00 C ATOM 454 O GLU A 44 10.462 16.138 1.502 1.00 0.00 O ATOM 455 CB GLU A 44 11.710 18.021 -0.938 1.00 0.00 C ATOM 456 CG GLU A 44 10.238 18.409 -0.967 1.00 0.00 C ATOM 457 CD GLU A 44 9.983 19.681 -1.726 1.00 0.00 C ATOM 458 OE1 GLU A 44 10.912 20.215 -2.283 1.00 0.00 O ATOM 459 OE2 GLU A 44 8.857 20.120 -1.748 1.00 0.00 O1- ATOM 0 H GLU A 44 10.378 15.482 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 44 13.073 16.507 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.269 18.802 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.084 17.984 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.663 17.601 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.877 18.523 0.055 1.00 0.00 H new ATOM 466 N GLU A 45 12.254 17.386 2.044 1.00 0.00 N ATOM 467 CA GLU A 45 11.885 17.507 3.449 1.00 0.00 C ATOM 468 C GLU A 45 11.142 18.811 3.714 1.00 0.00 C ATOM 469 O GLU A 45 11.606 19.888 3.338 1.00 0.00 O ATOM 470 CB GLU A 45 13.129 17.429 4.336 1.00 0.00 C ATOM 471 CG GLU A 45 12.840 17.470 5.830 1.00 0.00 C ATOM 472 CD GLU A 45 14.083 17.369 6.670 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.153 17.329 6.111 1.00 0.00 O ATOM 474 OE2 GLU A 45 13.963 17.332 7.872 1.00 0.00 O1- ATOM 0 H GLU A 45 13.124 17.857 1.795 1.00 0.00 H new ATOM 0 HA GLU A 45 11.220 16.678 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.666 16.508 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.793 18.256 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.321 18.398 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.167 16.652 6.087 1.00 0.00 H new ATOM 481 N GLN A 46 9.987 18.707 4.362 1.00 0.00 N ATOM 482 CA GLN A 46 9.202 19.882 4.722 1.00 0.00 C ATOM 483 C GLN A 46 8.917 19.916 6.218 1.00 0.00 C ATOM 484 O GLN A 46 8.832 18.874 6.867 1.00 0.00 O ATOM 485 CB GLN A 46 7.887 19.909 3.938 1.00 0.00 C ATOM 486 CG GLN A 46 8.062 20.021 2.433 1.00 0.00 C ATOM 487 CD GLN A 46 6.736 20.082 1.700 1.00 0.00 C ATOM 488 OE1 GLN A 46 5.672 20.179 2.318 1.00 0.00 O ATOM 489 NE2 GLN A 46 6.791 20.025 0.374 1.00 0.00 N ATOM 0 H GLN A 46 9.573 17.820 4.649 1.00 0.00 H new ATOM 0 HA GLN A 46 9.787 20.765 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.325 19.002 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.286 20.749 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.643 20.914 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.635 19.167 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.693 19.945 -0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.932 20.061 -0.174 1.00 0.00 H new ATOM 498 N LYS A 47 8.770 21.121 6.759 1.00 0.00 N ATOM 499 CA LYS A 47 8.388 21.291 8.156 1.00 0.00 C ATOM 500 C LYS A 47 6.885 21.127 8.340 1.00 0.00 C ATOM 501 O LYS A 47 6.094 21.604 7.527 1.00 0.00 O ATOM 502 CB LYS A 47 8.834 22.661 8.670 1.00 0.00 C ATOM 503 CG LYS A 47 10.344 22.838 8.761 1.00 0.00 C ATOM 504 CD LYS A 47 10.706 24.160 9.420 1.00 0.00 C ATOM 505 CE LYS A 47 12.211 24.295 9.601 1.00 0.00 C ATOM 506 NZ LYS A 47 12.574 25.535 10.340 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.910 21.994 6.251 1.00 0.00 H new ATOM 0 HA LYS A 47 8.889 20.515 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.429 23.431 8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.401 22.824 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.775 22.015 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.778 22.796 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.335 24.985 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.213 24.232 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.591 23.427 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.695 24.300 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.608 25.588 10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.235 26.365 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.134 25.519 11.282 1.00 0.00 H new ATOM 520 N GLY A 48 6.496 20.448 9.414 1.00 0.00 N ATOM 521 CA GLY A 48 5.087 20.290 9.752 1.00 0.00 C ATOM 522 C GLY A 48 4.789 18.873 10.225 1.00 0.00 C ATOM 523 O GLY A 48 5.529 17.938 9.920 1.00 0.00 O ATOM 0 H GLY A 48 7.138 19.998 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.816 21.001 10.532 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.473 20.522 8.882 1.00 0.00 H new ATOM 527 N THR A 49 3.701 18.720 10.973 1.00 0.00 N ATOM 528 CA THR A 49 3.309 17.418 11.498 1.00 0.00 C ATOM 529 C THR A 49 1.861 17.097 11.150 1.00 0.00 C ATOM 530 O THR A 49 0.976 17.171 12.003 1.00 0.00 O ATOM 531 CB THR A 49 3.500 17.355 13.024 1.00 0.00 C ATOM 532 OG1 THR A 49 2.755 18.410 13.646 1.00 0.00 O ATOM 533 CG2 THR A 49 4.971 17.499 13.384 1.00 0.00 C ATOM 0 H THR A 49 3.075 19.483 11.229 1.00 0.00 H new ATOM 0 HA THR A 49 3.955 16.674 11.031 1.00 0.00 H new ATOM 0 HB THR A 49 3.142 16.389 13.380 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.828 18.388 13.328 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.087 17.452 14.467 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.539 16.691 12.923 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.342 18.457 13.021 1.00 0.00 H new ATOM 541 N GLU A 50 1.624 16.741 9.892 1.00 0.00 N ATOM 542 CA GLU A 50 0.302 16.312 9.453 1.00 0.00 C ATOM 543 C GLU A 50 -0.752 17.364 9.772 1.00 0.00 C ATOM 544 O GLU A 50 -1.574 17.181 10.670 1.00 0.00 O ATOM 545 CB GLU A 50 -0.074 14.983 10.111 1.00 0.00 C ATOM 546 CG GLU A 50 0.838 13.820 9.746 1.00 0.00 C ATOM 547 CD GLU A 50 0.370 12.509 10.313 1.00 0.00 C ATOM 548 OE1 GLU A 50 -0.367 12.526 11.269 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.749 11.489 9.788 1.00 0.00 O1- ATOM 0 H GLU A 50 2.332 16.741 9.158 1.00 0.00 H new ATOM 0 HA GLU A 50 0.337 16.178 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.063 15.112 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.096 14.729 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.899 13.740 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.845 14.027 10.107 1.00 0.00 H new ATOM 556 N CYS A 51 -0.724 18.467 9.032 1.00 0.00 N ATOM 557 CA CYS A 51 -1.748 19.497 9.152 1.00 0.00 C ATOM 558 C CYS A 51 -2.536 19.644 7.856 1.00 0.00 C ATOM 559 O CYS A 51 -2.591 20.726 7.272 1.00 0.00 O ATOM 560 CB CYS A 51 -1.119 20.843 9.515 1.00 0.00 C ATOM 561 SG CYS A 51 -0.150 20.816 11.042 1.00 0.00 S ATOM 0 H CYS A 51 -0.001 18.670 8.341 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.429 19.189 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.477 21.165 8.695 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.909 21.587 9.612 1.00 0.00 H new ATOM 566 N GLY A 52 -3.145 18.550 7.413 1.00 0.00 N ATOM 567 CA GLY A 52 -3.936 18.556 6.188 1.00 0.00 C ATOM 568 C GLY A 52 -3.111 18.084 4.997 1.00 0.00 C ATOM 569 O GLY A 52 -1.881 18.076 5.046 1.00 0.00 O ATOM 0 H GLY A 52 -3.106 17.646 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.805 17.910 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.310 19.562 5.999 1.00 0.00 H new ATOM 573 N GLY A 53 -3.795 17.691 3.928 1.00 0.00 N ATOM 574 CA GLY A 53 -3.129 17.165 2.743 1.00 0.00 C ATOM 575 C GLY A 53 -3.435 15.685 2.550 1.00 0.00 C ATOM 576 O GLY A 53 -4.389 15.159 3.123 1.00 0.00 O ATOM 0 H GLY A 53 -4.812 17.727 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.451 17.723 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.052 17.307 2.834 1.00 0.00 H new ATOM 580 N GLY A 54 -2.619 15.018 1.741 1.00 0.00 N ATOM 581 CA GLY A 54 -2.797 13.595 1.477 1.00 0.00 C ATOM 582 C GLY A 54 -1.951 12.749 2.419 1.00 0.00 C ATOM 583 O GLY A 54 -1.525 13.217 3.475 1.00 0.00 O ATOM 0 H GLY A 54 -1.827 15.441 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.848 13.330 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.524 13.377 0.444 1.00 0.00 H new ATOM 587 N GLU A 55 -1.709 11.502 2.030 1.00 0.00 N ATOM 588 CA GLU A 55 -0.887 10.597 2.824 1.00 0.00 C ATOM 589 C GLU A 55 0.562 10.615 2.356 1.00 0.00 C ATOM 590 O GLU A 55 1.372 9.789 2.779 1.00 0.00 O ATOM 591 CB GLU A 55 -1.439 9.172 2.752 1.00 0.00 C ATOM 592 CG GLU A 55 -2.840 9.010 3.325 1.00 0.00 C ATOM 593 CD GLU A 55 -2.904 9.296 4.800 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.001 8.909 5.501 1.00 0.00 O ATOM 595 OE2 GLU A 55 -3.859 9.902 5.226 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.071 11.095 1.168 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.918 10.941 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.446 8.851 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.762 8.506 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.522 9.679 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.187 7.993 3.141 1.00 0.00 H new ATOM 602 N ASN A 56 0.884 11.562 1.481 1.00 0.00 N ATOM 603 CA ASN A 56 2.221 11.649 0.904 1.00 0.00 C ATOM 604 C ASN A 56 3.202 12.285 1.880 1.00 0.00 C ATOM 605 O ASN A 56 3.551 13.458 1.748 1.00 0.00 O ATOM 606 CB ASN A 56 2.189 12.422 -0.401 1.00 0.00 C ATOM 607 CG ASN A 56 3.524 12.445 -1.092 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.574 12.353 -0.444 1.00 0.00 O ATOM 609 ND2 ASN A 56 3.506 12.566 -2.395 1.00 0.00 N ATOM 0 H ASN A 56 0.237 12.280 1.156 1.00 0.00 H new ATOM 0 HA ASN A 56 2.564 10.635 0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.448 11.977 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.868 13.445 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.382 12.587 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.616 12.639 -2.888 1.00 0.00 H new ATOM 616 N HIS A 57 3.643 11.504 2.861 1.00 0.00 N ATOM 617 CA HIS A 57 4.707 11.933 3.761 1.00 0.00 C ATOM 618 C HIS A 57 5.331 10.744 4.482 1.00 0.00 C ATOM 619 O HIS A 57 4.679 9.721 4.689 1.00 0.00 O ATOM 620 CB HIS A 57 4.176 12.938 4.787 1.00 0.00 C ATOM 621 CG HIS A 57 3.064 12.402 5.635 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.774 12.260 5.168 1.00 0.00 N ATOM 623 CD2 HIS A 57 3.049 11.974 6.919 1.00 0.00 C ATOM 624 CE1 HIS A 57 1.013 11.766 6.129 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.763 11.584 7.201 1.00 0.00 N ATOM 0 H HIS A 57 3.280 10.570 3.053 1.00 0.00 H new ATOM 0 HA HIS A 57 5.475 12.414 3.156 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.996 13.251 5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.825 13.827 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.891 11.945 7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.042 11.548 6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.439 11.213 8.094 1.00 0.00 H new ATOM 633 N PHE A 58 6.596 10.887 4.861 1.00 0.00 N ATOM 634 CA PHE A 58 7.359 9.775 5.416 1.00 0.00 C ATOM 635 C PHE A 58 8.148 10.207 6.645 1.00 0.00 C ATOM 636 O PHE A 58 8.376 11.398 6.861 1.00 0.00 O ATOM 637 CB PHE A 58 8.314 9.205 4.366 1.00 0.00 C ATOM 638 CG PHE A 58 7.623 8.680 3.140 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.369 9.512 2.059 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.224 7.354 3.064 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.733 9.031 0.931 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.589 6.870 1.937 1.00 0.00 C ATOM 643 CZ PHE A 58 6.343 7.710 0.869 1.00 0.00 C ATOM 0 H PHE A 58 7.115 11.762 4.794 1.00 0.00 H new ATOM 0 HA PHE A 58 6.649 9.003 5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.019 9.982 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.896 8.401 4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.672 10.548 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.412 6.692 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.541 9.690 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.285 5.835 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.846 7.333 -0.013 1.00 0.00 H new ATOM 653 N GLU A 59 8.562 9.234 7.449 1.00 0.00 N ATOM 654 CA GLU A 59 9.289 9.515 8.681 1.00 0.00 C ATOM 655 C GLU A 59 10.602 10.231 8.395 1.00 0.00 C ATOM 656 O GLU A 59 11.003 11.132 9.133 1.00 0.00 O ATOM 657 CB GLU A 59 9.561 8.218 9.448 1.00 0.00 C ATOM 658 CG GLU A 59 8.319 7.564 10.037 1.00 0.00 C ATOM 659 CD GLU A 59 8.592 6.202 10.612 1.00 0.00 C ATOM 660 OE1 GLU A 59 9.677 5.707 10.427 1.00 0.00 O ATOM 661 OE2 GLU A 59 7.713 5.657 11.237 1.00 0.00 O1- ATOM 0 H GLU A 59 8.406 8.242 7.269 1.00 0.00 H new ATOM 0 HA GLU A 59 8.667 10.169 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.047 7.509 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.264 8.428 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.911 8.207 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.557 7.480 9.262 1.00 0.00 H new ATOM 668 N THR A 60 11.270 9.826 7.320 1.00 0.00 N ATOM 669 CA THR A 60 12.524 10.450 6.917 1.00 0.00 C ATOM 670 C THR A 60 12.747 10.319 5.416 1.00 0.00 C ATOM 671 O THR A 60 11.942 9.711 4.710 1.00 0.00 O ATOM 672 CB THR A 60 13.717 9.836 7.672 1.00 0.00 C ATOM 673 OG1 THR A 60 14.893 10.620 7.432 1.00 0.00 O ATOM 674 CG2 THR A 60 13.962 8.407 7.212 1.00 0.00 C ATOM 0 H THR A 60 10.963 9.067 6.712 1.00 0.00 H new ATOM 0 HA THR A 60 12.453 11.508 7.170 1.00 0.00 H new ATOM 0 HB THR A 60 13.488 9.829 8.738 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.651 10.229 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.809 7.990 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.074 7.805 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.179 8.401 6.144 1.00 0.00 H new ATOM 682 N LEU A 61 13.844 10.892 4.933 1.00 0.00 N ATOM 683 CA LEU A 61 14.115 10.944 3.501 1.00 0.00 C ATOM 684 C LEU A 61 14.411 9.556 2.947 1.00 0.00 C ATOM 685 O LEU A 61 13.927 9.189 1.876 1.00 0.00 O ATOM 686 CB LEU A 61 15.299 11.877 3.219 1.00 0.00 C ATOM 687 CG LEU A 61 15.667 12.057 1.741 1.00 0.00 C ATOM 688 CD1 LEU A 61 14.474 12.625 0.985 1.00 0.00 C ATOM 689 CD2 LEU A 61 16.875 12.976 1.626 1.00 0.00 C ATOM 0 H LEU A 61 14.561 11.328 5.513 1.00 0.00 H new ATOM 0 HA LEU A 61 13.224 11.330 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.074 12.857 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.172 11.496 3.748 1.00 0.00 H new ATOM 0 HG LEU A 61 15.925 11.093 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.736 12.753 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.631 11.939 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.200 13.590 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.136 13.104 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.637 13.946 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.718 12.537 2.159 1.00 0.00 H new ATOM 701 N LEU A 62 15.210 8.789 3.681 1.00 0.00 N ATOM 702 CA LEU A 62 15.533 7.423 3.288 1.00 0.00 C ATOM 703 C LEU A 62 14.271 6.607 3.040 1.00 0.00 C ATOM 704 O LEU A 62 14.125 5.975 1.994 1.00 0.00 O ATOM 705 CB LEU A 62 16.381 6.746 4.372 1.00 0.00 C ATOM 706 CG LEU A 62 16.911 5.349 4.027 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.181 5.075 4.821 1.00 0.00 C ATOM 708 CD2 LEU A 62 15.841 4.310 4.331 1.00 0.00 C ATOM 0 H LEU A 62 15.646 9.091 4.552 1.00 0.00 H new ATOM 0 HA LEU A 62 16.101 7.469 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.230 7.391 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.784 6.674 5.281 1.00 0.00 H new ATOM 0 HG LEU A 62 17.152 5.295 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.557 4.082 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.935 5.821 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.961 5.126 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.218 3.317 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.586 4.350 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.952 4.518 3.735 1.00 0.00 H new ATOM 720 N LYS A 63 13.361 6.626 4.007 1.00 0.00 N ATOM 721 CA LYS A 63 12.096 5.911 3.884 1.00 0.00 C ATOM 722 C LYS A 63 11.312 6.386 2.667 1.00 0.00 C ATOM 723 O LYS A 63 10.710 5.583 1.953 1.00 0.00 O ATOM 724 CB LYS A 63 11.256 6.085 5.150 1.00 0.00 C ATOM 725 CG LYS A 63 9.948 5.305 5.149 1.00 0.00 C ATOM 726 CD LYS A 63 9.235 5.420 6.489 1.00 0.00 C ATOM 727 CE LYS A 63 7.942 4.618 6.499 1.00 0.00 C ATOM 728 NZ LYS A 63 7.288 4.635 7.836 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.476 7.130 4.886 1.00 0.00 H new ATOM 0 HA LYS A 63 12.323 4.853 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.849 5.775 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.033 7.144 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.300 5.679 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.148 4.256 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.891 5.066 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.017 6.467 6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.257 5.024 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.152 3.588 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.411 4.077 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.931 4.224 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.064 5.616 8.101 1.00 0.00 H new ATOM 742 N CYS A 64 11.323 7.694 2.435 1.00 0.00 N ATOM 743 CA CYS A 64 10.635 8.275 1.288 1.00 0.00 C ATOM 744 C CYS A 64 11.207 7.749 -0.022 1.00 0.00 C ATOM 745 O CYS A 64 10.471 7.268 -0.883 1.00 0.00 O ATOM 746 CB CYS A 64 10.745 9.799 1.311 1.00 0.00 C ATOM 747 SG CYS A 64 9.867 10.623 -0.039 1.00 0.00 S ATOM 0 H CYS A 64 11.802 8.373 3.027 1.00 0.00 H new ATOM 0 HA CYS A 64 9.586 7.986 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.356 10.166 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.798 10.077 1.269 1.00 0.00 H new ATOM 752 N ASN A 65 12.525 7.842 -0.166 1.00 0.00 N ATOM 753 CA ASN A 65 13.190 7.447 -1.402 1.00 0.00 C ATOM 754 C ASN A 65 13.036 5.953 -1.657 1.00 0.00 C ATOM 755 O ASN A 65 12.794 5.528 -2.786 1.00 0.00 O ATOM 756 CB ASN A 65 14.657 7.834 -1.366 1.00 0.00 C ATOM 757 CG ASN A 65 14.870 9.310 -1.558 1.00 0.00 C ATOM 758 OD1 ASN A 65 13.946 10.039 -1.939 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.070 9.765 -1.302 1.00 0.00 N ATOM 0 H ASN A 65 13.154 8.188 0.559 1.00 0.00 H new ATOM 0 HA ASN A 65 12.712 7.978 -2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.086 7.530 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.192 7.289 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.274 10.758 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.802 9.127 -0.990 1.00 0.00 H new ATOM 766 N GLU A 66 13.178 5.160 -0.600 1.00 0.00 N ATOM 767 CA GLU A 66 13.079 3.710 -0.712 1.00 0.00 C ATOM 768 C GLU A 66 11.660 3.279 -1.059 1.00 0.00 C ATOM 769 O GLU A 66 11.457 2.312 -1.793 1.00 0.00 O ATOM 770 CB GLU A 66 13.520 3.043 0.593 1.00 0.00 C ATOM 771 CG GLU A 66 15.012 3.142 0.878 1.00 0.00 C ATOM 772 CD GLU A 66 15.850 2.412 -0.135 1.00 0.00 C ATOM 773 OE1 GLU A 66 15.528 1.291 -0.448 1.00 0.00 O ATOM 774 OE2 GLU A 66 16.814 2.977 -0.597 1.00 0.00 O1- ATOM 0 H GLU A 66 13.362 5.498 0.345 1.00 0.00 H new ATOM 0 HA GLU A 66 13.740 3.393 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.974 3.496 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.238 1.991 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 66 15.305 4.192 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.215 2.738 1.870 1.00 0.00 H new ATOM 781 N SER A 67 10.681 4.003 -0.528 1.00 0.00 N ATOM 782 CA SER A 67 9.280 3.743 -0.840 1.00 0.00 C ATOM 783 C SER A 67 8.968 4.078 -2.292 1.00 0.00 C ATOM 784 O SER A 67 8.328 3.297 -2.996 1.00 0.00 O ATOM 785 CB SER A 67 8.383 4.550 0.079 1.00 0.00 C ATOM 786 OG SER A 67 8.500 4.114 1.405 1.00 0.00 O ATOM 0 H SER A 67 10.832 4.775 0.121 1.00 0.00 H new ATOM 0 HA SER A 67 9.093 2.680 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.646 5.606 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.347 4.460 -0.247 1.00 0.00 H new ATOM 0 HG SER A 67 9.352 4.424 1.777 1.00 0.00 H new ATOM 792 N CYS A 68 9.423 5.245 -2.736 1.00 0.00 N ATOM 793 CA CYS A 68 9.168 5.699 -4.098 1.00 0.00 C ATOM 794 C CYS A 68 9.855 4.798 -5.117 1.00 0.00 C ATOM 795 O CYS A 68 9.405 4.678 -6.256 1.00 0.00 O ATOM 796 CB CYS A 68 9.655 7.136 -4.286 1.00 0.00 C ATOM 797 SG CYS A 68 8.742 8.358 -3.315 1.00 0.00 S ATOM 0 H CYS A 68 9.971 5.894 -2.171 1.00 0.00 H new ATOM 0 HA CYS A 68 8.091 5.656 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.710 7.189 -4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.582 7.398 -5.341 1.00 0.00 H new ATOM 802 N ASN A 69 10.947 4.167 -4.699 1.00 0.00 N ATOM 803 CA ASN A 69 11.683 3.254 -5.566 1.00 0.00 C ATOM 804 C ASN A 69 10.826 2.058 -5.960 1.00 0.00 C ATOM 805 O ASN A 69 11.062 1.426 -6.990 1.00 0.00 O ATOM 806 CB ASN A 69 12.964 2.796 -4.894 1.00 0.00 C ATOM 807 CG ASN A 69 13.853 2.012 -5.819 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.337 2.537 -6.828 1.00 0.00 O ATOM 809 ND2 ASN A 69 14.078 0.764 -5.495 1.00 0.00 N ATOM 0 H ASN A 69 11.342 4.271 -3.764 1.00 0.00 H new ATOM 0 HA ASN A 69 11.944 3.793 -6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.507 3.666 -4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.716 2.183 -4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.674 0.183 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.657 0.372 -4.652 1.00 0.00 H new ATOM 816 N ASP A 70 9.831 1.751 -5.135 1.00 0.00 N ATOM 817 CA ASP A 70 9.001 0.571 -5.341 1.00 0.00 C ATOM 818 C ASP A 70 7.703 0.928 -6.054 1.00 0.00 C ATOM 819 O ASP A 70 6.817 0.087 -6.210 1.00 0.00 O ATOM 820 CB ASP A 70 8.686 -0.104 -4.004 1.00 0.00 C ATOM 821 CG ASP A 70 9.918 -0.702 -3.338 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.842 -1.043 -4.038 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.923 -0.813 -2.135 1.00 0.00 O1- ATOM 0 H ASP A 70 9.580 2.305 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 70 9.562 -0.121 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.234 0.625 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.948 -0.890 -4.164 1.00 0.00 H new ATOM 874 N PRO A 74 7.106 4.964 -13.996 1.00 0.00 N ATOM 875 CA PRO A 74 8.267 4.749 -14.852 1.00 0.00 C ATOM 876 C PRO A 74 9.482 5.507 -14.333 1.00 0.00 C ATOM 877 O PRO A 74 9.385 6.678 -13.968 1.00 0.00 O ATOM 878 CB PRO A 74 7.800 5.289 -16.207 1.00 0.00 C ATOM 879 CG PRO A 74 6.328 5.054 -16.208 1.00 0.00 C ATOM 880 CD PRO A 74 5.903 5.342 -14.792 1.00 0.00 C ATOM 0 HA PRO A 74 8.584 3.707 -14.897 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.034 6.348 -16.316 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.287 4.769 -17.032 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.821 5.709 -16.916 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.089 4.030 -16.494 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.642 6.391 -14.655 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.030 4.756 -14.506 1.00 0.00 H new ATOM 888 N PRO A 75 10.626 4.832 -14.304 1.00 0.00 N ATOM 889 CA PRO A 75 11.861 5.438 -13.821 1.00 0.00 C ATOM 890 C PRO A 75 12.146 6.752 -14.537 1.00 0.00 C ATOM 891 O PRO A 75 12.664 7.696 -13.940 1.00 0.00 O ATOM 892 CB PRO A 75 12.916 4.377 -14.148 1.00 0.00 C ATOM 893 CG PRO A 75 12.173 3.087 -14.072 1.00 0.00 C ATOM 894 CD PRO A 75 10.821 3.398 -14.656 1.00 0.00 C ATOM 0 HA PRO A 75 11.831 5.694 -12.762 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.344 4.533 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.741 4.404 -13.437 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.679 2.303 -14.636 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.090 2.736 -13.043 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.801 3.241 -15.734 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.042 2.768 -14.228 1.00 0.00 H new ATOM 902 N CYS A 76 11.805 6.807 -15.820 1.00 0.00 N ATOM 903 CA CYS A 76 12.131 7.961 -16.650 1.00 0.00 C ATOM 904 C CYS A 76 11.211 9.136 -16.345 1.00 0.00 C ATOM 905 O CYS A 76 11.423 10.246 -16.834 1.00 0.00 O ATOM 906 CB CYS A 76 12.019 7.605 -18.133 1.00 0.00 C ATOM 907 SG CYS A 76 13.266 6.427 -18.705 1.00 0.00 S ATOM 0 H CYS A 76 11.303 6.065 -16.308 1.00 0.00 H new ATOM 0 HA CYS A 76 13.157 8.249 -16.422 1.00 0.00 H new ATOM 0 HB2 CYS A 76 11.029 7.190 -18.322 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.100 8.518 -18.722 1.00 0.00 H new ATOM 912 N SER A 77 10.189 8.886 -15.534 1.00 0.00 N ATOM 913 CA SER A 77 9.270 9.937 -15.113 1.00 0.00 C ATOM 914 C SER A 77 9.699 10.545 -13.784 1.00 0.00 C ATOM 915 O SER A 77 9.052 11.458 -13.270 1.00 0.00 O ATOM 916 CB SER A 77 7.863 9.384 -14.995 1.00 0.00 C ATOM 917 OG SER A 77 7.387 8.953 -16.240 1.00 0.00 O ATOM 0 H SER A 77 9.976 7.963 -15.155 1.00 0.00 H new ATOM 0 HA SER A 77 9.288 10.722 -15.869 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.853 8.553 -14.290 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.200 10.150 -14.593 1.00 0.00 H new ATOM 0 HG SER A 77 6.479 8.599 -16.138 1.00 0.00 H new ATOM 923 N LEU A 78 10.795 10.035 -13.232 1.00 0.00 N ATOM 924 CA LEU A 78 11.337 10.555 -11.983 1.00 0.00 C ATOM 925 C LEU A 78 12.581 11.399 -12.231 1.00 0.00 C ATOM 926 O LEU A 78 13.298 11.192 -13.210 1.00 0.00 O ATOM 927 CB LEU A 78 11.676 9.401 -11.031 1.00 0.00 C ATOM 928 CG LEU A 78 10.482 8.761 -10.311 1.00 0.00 C ATOM 929 CD1 LEU A 78 9.827 7.735 -11.226 1.00 0.00 C ATOM 930 CD2 LEU A 78 10.957 8.115 -9.018 1.00 0.00 C ATOM 0 H LEU A 78 11.326 9.261 -13.631 1.00 0.00 H new ATOM 0 HA LEU A 78 10.577 11.189 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.193 8.627 -11.598 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.376 9.767 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 78 9.743 9.523 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.979 7.280 -10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.481 8.227 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.552 6.963 -11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.109 7.660 -8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.698 7.348 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.405 8.873 -8.376 1.00 0.00 H new ATOM 942 N GLU A 79 12.832 12.350 -11.338 1.00 0.00 N ATOM 943 CA GLU A 79 13.913 13.311 -11.526 1.00 0.00 C ATOM 944 C GLU A 79 15.255 12.715 -11.122 1.00 0.00 C ATOM 945 O GLU A 79 15.319 11.814 -10.285 1.00 0.00 O ATOM 946 CB GLU A 79 13.644 14.581 -10.716 1.00 0.00 C ATOM 947 CG GLU A 79 14.574 15.742 -11.041 1.00 0.00 C ATOM 948 CD GLU A 79 14.506 16.160 -12.483 1.00 0.00 C ATOM 949 OE1 GLU A 79 13.698 15.622 -13.201 1.00 0.00 O ATOM 950 OE2 GLU A 79 15.263 17.020 -12.867 1.00 0.00 O1- ATOM 0 H GLU A 79 12.301 12.476 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 79 13.954 13.564 -12.586 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.615 14.896 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.732 14.346 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.319 16.593 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.598 15.460 -10.798 1.00 0.00 H new ATOM 957 N VAL A 80 16.327 13.222 -11.722 1.00 0.00 N ATOM 958 CA VAL A 80 17.672 12.752 -11.415 1.00 0.00 C ATOM 959 C VAL A 80 17.987 12.913 -9.933 1.00 0.00 C ATOM 960 O VAL A 80 17.789 13.985 -9.360 1.00 0.00 O ATOM 961 CB VAL A 80 18.712 13.527 -12.245 1.00 0.00 C ATOM 962 CG1 VAL A 80 20.123 13.154 -11.815 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.508 13.244 -13.726 1.00 0.00 C ATOM 0 H VAL A 80 16.290 13.960 -12.425 1.00 0.00 H new ATOM 0 HA VAL A 80 17.718 11.693 -11.669 1.00 0.00 H new ATOM 0 HB VAL A 80 18.577 14.595 -12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.845 13.711 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.259 13.398 -10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.278 12.085 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.247 13.796 -14.307 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.624 12.176 -13.912 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.507 13.557 -14.022 1.00 0.00 H new ATOM 973 N ASP A 81 18.478 11.843 -9.318 1.00 0.00 N ATOM 974 CA ASP A 81 18.869 11.879 -7.913 1.00 0.00 C ATOM 975 C ASP A 81 20.039 10.941 -7.643 1.00 0.00 C ATOM 976 O ASP A 81 19.853 9.738 -7.462 1.00 0.00 O ATOM 977 CB ASP A 81 17.687 11.502 -7.017 1.00 0.00 C ATOM 978 CG ASP A 81 18.007 11.620 -5.533 1.00 0.00 C ATOM 979 OD1 ASP A 81 19.151 11.831 -5.207 1.00 0.00 O ATOM 980 OD2 ASP A 81 17.105 11.497 -4.740 1.00 0.00 O1- ATOM 0 H ASP A 81 18.615 10.939 -9.770 1.00 0.00 H new ATOM 0 HA ASP A 81 19.182 12.897 -7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.839 12.145 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.382 10.479 -7.238 1.00 0.00 H new ATOM 985 N TYR A 82 21.244 11.499 -7.617 1.00 0.00 N ATOM 986 CA TYR A 82 22.449 10.710 -7.389 1.00 0.00 C ATOM 987 C TYR A 82 22.944 10.862 -5.956 1.00 0.00 C ATOM 988 O TYR A 82 24.098 10.562 -5.653 1.00 0.00 O ATOM 989 CB TYR A 82 23.547 11.113 -8.375 1.00 0.00 C ATOM 990 CG TYR A 82 23.797 12.604 -8.436 1.00 0.00 C ATOM 991 CD1 TYR A 82 24.665 13.199 -7.532 1.00 0.00 C ATOM 992 CD2 TYR A 82 23.158 13.376 -9.395 1.00 0.00 C ATOM 993 CE1 TYR A 82 24.893 14.560 -7.587 1.00 0.00 C ATOM 994 CE2 TYR A 82 23.386 14.737 -9.450 1.00 0.00 C ATOM 995 CZ TYR A 82 24.250 15.329 -8.551 1.00 0.00 C ATOM 996 OH TYR A 82 24.477 16.685 -8.606 1.00 0.00 O ATOM 0 H TYR A 82 21.413 12.496 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 82 22.198 9.662 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 82 24.473 10.610 -8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 82 23.277 10.758 -9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 82 25.162 12.598 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 82 22.482 12.913 -10.099 1.00 0.00 H new ATOM 0 HE1 TYR A 82 25.568 15.025 -6.884 1.00 0.00 H new ATOM 0 HE2 TYR A 82 22.888 15.338 -10.196 1.00 0.00 H new ATOM 0 HH TYR A 82 23.953 17.075 -9.336 1.00 0.00 H new ATOM 1006 N GLY A 83 22.063 11.331 -5.078 1.00 0.00 N ATOM 1007 CA GLY A 83 22.377 11.429 -3.658 1.00 0.00 C ATOM 1008 C GLY A 83 23.201 12.675 -3.361 1.00 0.00 C ATOM 1009 O GLY A 83 23.568 13.420 -4.270 1.00 0.00 O ATOM 0 H GLY A 83 21.126 11.649 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.454 11.454 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.927 10.542 -3.342 1.00 0.00 H new ATOM 1013 N VAL A 84 23.490 12.897 -2.083 1.00 0.00 N ATOM 1014 CA VAL A 84 24.332 14.014 -1.670 1.00 0.00 C ATOM 1015 C VAL A 84 25.434 13.553 -0.726 1.00 0.00 C ATOM 1016 O VAL A 84 25.693 14.186 0.298 1.00 0.00 O ATOM 1017 CB VAL A 84 23.483 15.094 -0.975 1.00 0.00 C ATOM 1018 CG1 VAL A 84 22.536 15.750 -1.969 1.00 0.00 C ATOM 1019 CG2 VAL A 84 22.709 14.480 0.182 1.00 0.00 C ATOM 0 H VAL A 84 23.153 12.317 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 84 24.792 14.431 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 84 24.146 15.865 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.944 16.511 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.113 16.214 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 84 21.872 14.996 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.111 15.250 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.053 13.695 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.408 14.054 0.902 1.00 0.00 H new ATOM 1029 N GLY A 85 26.082 12.446 -1.076 1.00 0.00 N ATOM 1030 CA GLY A 85 27.043 11.807 -0.185 1.00 0.00 C ATOM 1031 C GLY A 85 28.470 12.209 -0.533 1.00 0.00 C ATOM 1032 O GLY A 85 28.747 13.378 -0.800 1.00 0.00 O ATOM 0 H GLY A 85 25.958 11.973 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.826 12.084 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 85 26.941 10.724 -0.253 1.00 0.00 H new ATOM 1036 N ARG A 86 29.372 11.234 -0.530 1.00 0.00 N ATOM 1037 CA ARG A 86 30.797 11.508 -0.670 1.00 0.00 C ATOM 1038 C ARG A 86 31.475 10.462 -1.545 1.00 0.00 C ATOM 1039 O ARG A 86 32.658 10.579 -1.865 1.00 0.00 O ATOM 1040 CB ARG A 86 31.473 11.540 0.693 1.00 0.00 C ATOM 1041 CG ARG A 86 31.026 12.673 1.602 1.00 0.00 C ATOM 1042 CD ARG A 86 31.454 13.997 1.082 1.00 0.00 C ATOM 1043 NE ARG A 86 31.075 15.080 1.975 1.00 0.00 N ATOM 1044 CZ ARG A 86 29.899 15.736 1.924 1.00 0.00 C ATOM 1045 NH1 ARG A 86 29.002 15.409 1.021 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 29.649 16.709 2.783 1.00 0.00 N ATOM 0 H ARG A 86 29.141 10.245 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 86 30.898 12.483 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 86 31.285 10.593 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 86 32.551 11.615 0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 86 29.941 12.654 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 86 31.439 12.523 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 86 32.535 14.001 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 86 31.008 14.163 0.101 1.00 0.00 H new ATOM 0 HE ARG A 86 31.746 15.363 2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 86 29.196 14.658 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 86 28.112 15.906 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 86 30.346 16.963 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 86 28.759 17.206 2.745 1.00 0.00 H new ATOM 1060 N ALA A 87 30.719 9.439 -1.931 1.00 0.00 N ATOM 1061 CA ALA A 87 31.238 8.385 -2.794 1.00 0.00 C ATOM 1062 C ALA A 87 31.400 8.877 -4.227 1.00 0.00 C ATOM 1063 O ALA A 87 30.856 9.915 -4.602 1.00 0.00 O ATOM 1064 CB ALA A 87 30.325 7.169 -2.752 1.00 0.00 C ATOM 0 H ALA A 87 29.743 9.318 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 87 32.222 8.100 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 87 30.726 6.391 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 87 30.265 6.794 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 87 29.329 7.450 -3.094 1.00 0.00 H new ATOM 1070 N ASN A 88 32.151 8.124 -5.024 1.00 0.00 N ATOM 1071 CA ASN A 88 32.388 8.484 -6.417 1.00 0.00 C ATOM 1072 C ASN A 88 32.104 7.309 -7.344 1.00 0.00 C ATOM 1073 O ASN A 88 33.025 6.696 -7.885 1.00 0.00 O ATOM 1074 CB ASN A 88 33.809 8.982 -6.606 1.00 0.00 C ATOM 1075 CG ASN A 88 34.093 10.229 -5.816 1.00 0.00 C ATOM 1076 OD1 ASN A 88 33.634 11.321 -6.170 1.00 0.00 O ATOM 1077 ND2 ASN A 88 34.842 10.089 -4.752 1.00 0.00 N ATOM 0 H ASN A 88 32.606 7.260 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 88 31.702 9.290 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 88 34.507 8.200 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 88 33.984 9.178 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 88 35.068 10.901 -4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 88 35.199 9.168 -4.497 1.00 0.00 H new ATOM 1084 N ILE A 89 30.825 7.000 -7.525 1.00 0.00 N ATOM 1085 CA ILE A 89 30.417 5.895 -8.385 1.00 0.00 C ATOM 1086 C ILE A 89 29.659 6.400 -9.607 1.00 0.00 C ATOM 1087 O ILE A 89 28.506 6.818 -9.505 1.00 0.00 O ATOM 1088 CB ILE A 89 29.540 4.893 -7.614 1.00 0.00 C ATOM 1089 CG1 ILE A 89 30.296 4.345 -6.400 1.00 0.00 C ATOM 1090 CG2 ILE A 89 29.100 3.758 -8.527 1.00 0.00 C ATOM 1091 CD1 ILE A 89 29.436 3.529 -5.462 1.00 0.00 C ATOM 0 H ILE A 89 30.051 7.500 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 89 31.324 5.391 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 89 28.650 5.413 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 89 31.124 3.728 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 89 30.730 5.178 -5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 89 28.481 3.059 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 89 28.526 4.163 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 89 29.978 3.238 -8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 89 30.042 3.176 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 89 28.622 4.148 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 89 29.023 2.674 -5.998 1.00 0.00 H new ATOM 1103 N PRO A 90 30.314 6.357 -10.762 1.00 0.00 N ATOM 1104 CA PRO A 90 29.687 6.765 -12.013 1.00 0.00 C ATOM 1105 C PRO A 90 28.434 5.946 -12.294 1.00 0.00 C ATOM 1106 O PRO A 90 28.491 4.719 -12.387 1.00 0.00 O ATOM 1107 CB PRO A 90 30.782 6.497 -13.051 1.00 0.00 C ATOM 1108 CG PRO A 90 32.051 6.577 -12.273 1.00 0.00 C ATOM 1109 CD PRO A 90 31.714 5.956 -10.943 1.00 0.00 C ATOM 0 HA PRO A 90 29.351 7.802 -12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.660 5.518 -13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.759 7.235 -13.853 1.00 0.00 H new ATOM 0 HG2 PRO A 90 32.857 6.038 -12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.382 7.609 -12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.829 4.872 -10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.352 6.333 -10.144 1.00 0.00 H new ATOM 1117 N ARG A 91 27.304 6.630 -12.430 1.00 0.00 N ATOM 1118 CA ARG A 91 26.046 5.974 -12.764 1.00 0.00 C ATOM 1119 C ARG A 91 25.212 6.829 -13.710 1.00 0.00 C ATOM 1120 O ARG A 91 25.419 8.038 -13.814 1.00 0.00 O ATOM 1121 CB ARG A 91 25.242 5.684 -11.505 1.00 0.00 C ATOM 1122 CG ARG A 91 25.903 4.722 -10.531 1.00 0.00 C ATOM 1123 CD ARG A 91 25.004 4.381 -9.399 1.00 0.00 C ATOM 1124 NE ARG A 91 23.829 3.648 -9.842 1.00 0.00 N ATOM 1125 CZ ARG A 91 23.782 2.314 -10.022 1.00 0.00 C ATOM 1126 NH1 ARG A 91 24.850 1.582 -9.794 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 22.663 1.740 -10.429 1.00 0.00 N ATOM 0 H ARG A 91 27.233 7.641 -12.314 1.00 0.00 H new ATOM 0 HA ARG A 91 26.289 5.036 -13.262 1.00 0.00 H new ATOM 0 HB2 ARG A 91 25.050 6.625 -10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.274 5.276 -11.796 1.00 0.00 H new ATOM 0 HG2 ARG A 91 26.188 3.811 -11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 91 26.820 5.167 -10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 91 25.550 3.784 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 91 24.693 5.296 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 91 22.980 4.182 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.714 2.024 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.814 0.572 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.834 2.307 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 91 22.628 0.730 -10.565 1.00 0.00 H new ATOM 1141 N TRP A 92 24.269 6.195 -14.397 1.00 0.00 N ATOM 1142 CA TRP A 92 23.520 6.855 -15.460 1.00 0.00 C ATOM 1143 C TRP A 92 22.147 7.298 -14.973 1.00 0.00 C ATOM 1144 O TRP A 92 21.430 6.534 -14.327 1.00 0.00 O ATOM 1145 CB TRP A 92 23.362 5.920 -16.661 1.00 0.00 C ATOM 1146 CG TRP A 92 24.622 5.748 -17.454 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.581 4.799 -17.264 1.00 0.00 C ATOM 1148 CD2 TRP A 92 25.068 6.549 -18.575 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.589 4.954 -18.183 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.291 6.020 -18.994 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.534 7.657 -19.246 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 26.998 6.559 -20.057 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 25.242 8.197 -20.312 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.442 7.661 -20.708 1.00 0.00 C ATOM 0 H TRP A 92 24.004 5.223 -14.237 1.00 0.00 H new ATOM 0 HA TRP A 92 24.082 7.739 -15.762 1.00 0.00 H new ATOM 0 HB2 TRP A 92 23.027 4.944 -16.310 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.581 6.309 -17.314 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.552 4.035 -16.501 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.424 4.372 -18.252 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.590 8.083 -18.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 27.944 6.142 -20.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.842 9.052 -20.837 1.00 0.00 H new ATOM 0 HH2 TRP A 92 26.968 8.102 -21.542 1.00 0.00 H new ATOM 1165 N TYR A 93 21.785 8.538 -15.287 1.00 0.00 N ATOM 1166 CA TYR A 93 20.486 9.077 -14.901 1.00 0.00 C ATOM 1167 C TYR A 93 19.800 9.756 -16.080 1.00 0.00 C ATOM 1168 O TYR A 93 20.458 10.339 -16.942 1.00 0.00 O ATOM 1169 CB TYR A 93 20.639 10.060 -13.739 1.00 0.00 C ATOM 1170 CG TYR A 93 21.208 9.437 -12.483 1.00 0.00 C ATOM 1171 CD1 TYR A 93 22.572 9.208 -12.379 1.00 0.00 C ATOM 1172 CD2 TYR A 93 20.365 9.095 -11.436 1.00 0.00 C ATOM 1173 CE1 TYR A 93 23.091 8.639 -11.232 1.00 0.00 C ATOM 1174 CE2 TYR A 93 20.885 8.525 -10.289 1.00 0.00 C ATOM 1175 CZ TYR A 93 22.242 8.298 -10.186 1.00 0.00 C ATOM 1176 OH TYR A 93 22.759 7.731 -9.044 1.00 0.00 O ATOM 0 H TYR A 93 22.373 9.188 -15.808 1.00 0.00 H new ATOM 0 HA TYR A 93 19.860 8.245 -14.578 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.286 10.880 -14.052 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.665 10.492 -13.510 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.228 9.474 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.303 9.274 -11.517 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.153 8.460 -11.149 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.229 8.257 -9.474 1.00 0.00 H new ATOM 0 HH TYR A 93 22.034 7.554 -8.409 1.00 0.00 H new ATOM 1186 N TYR A 94 18.474 9.676 -16.112 1.00 0.00 N ATOM 1187 CA TYR A 94 17.697 10.277 -17.190 1.00 0.00 C ATOM 1188 C TYR A 94 17.324 11.717 -16.864 1.00 0.00 C ATOM 1189 O TYR A 94 16.674 11.987 -15.853 1.00 0.00 O ATOM 1190 CB TYR A 94 16.437 9.452 -17.465 1.00 0.00 C ATOM 1191 CG TYR A 94 15.549 10.035 -18.541 1.00 0.00 C ATOM 1192 CD1 TYR A 94 15.969 10.036 -19.863 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.313 10.569 -18.206 1.00 0.00 C ATOM 1194 CE1 TYR A 94 15.158 10.569 -20.846 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.501 11.101 -19.189 1.00 0.00 C ATOM 1196 CZ TYR A 94 13.920 11.103 -20.504 1.00 0.00 C ATOM 1197 OH TYR A 94 13.112 11.633 -21.483 1.00 0.00 O ATOM 0 H TYR A 94 17.915 9.201 -15.404 1.00 0.00 H new ATOM 0 HA TYR A 94 18.317 10.283 -18.086 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.731 8.444 -17.756 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.864 9.363 -16.542 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.931 9.620 -20.124 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.986 10.569 -17.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.484 10.571 -21.876 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.538 11.515 -18.928 1.00 0.00 H new ATOM 0 HH TYR A 94 12.282 11.963 -21.079 1.00 0.00 H new ATOM 1207 N ASP A 95 17.739 12.640 -17.725 1.00 0.00 N ATOM 1208 CA ASP A 95 17.371 14.043 -17.580 1.00 0.00 C ATOM 1209 C ASP A 95 16.007 14.321 -18.198 1.00 0.00 C ATOM 1210 O ASP A 95 15.845 14.273 -19.417 1.00 0.00 O ATOM 1211 CB ASP A 95 18.425 14.944 -18.230 1.00 0.00 C ATOM 1212 CG ASP A 95 18.121 16.426 -18.065 1.00 0.00 C ATOM 1213 OD1 ASP A 95 16.978 16.759 -17.857 1.00 0.00 O ATOM 1214 OD2 ASP A 95 19.034 17.213 -18.149 1.00 0.00 O1- ATOM 0 H ASP A 95 18.331 12.441 -18.531 1.00 0.00 H new ATOM 0 HA ASP A 95 17.319 14.263 -16.514 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.400 14.728 -17.793 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.492 14.708 -19.292 1.00 0.00 H new ATOM 1219 N THR A 96 15.027 14.612 -17.348 1.00 0.00 N ATOM 1220 CA THR A 96 13.643 14.734 -17.789 1.00 0.00 C ATOM 1221 C THR A 96 13.404 16.063 -18.495 1.00 0.00 C ATOM 1222 O THR A 96 12.452 16.206 -19.263 1.00 0.00 O ATOM 1223 CB THR A 96 12.670 14.596 -16.603 1.00 0.00 C ATOM 1224 OG1 THR A 96 12.844 15.702 -15.707 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.923 13.297 -15.854 1.00 0.00 C ATOM 0 H THR A 96 15.166 14.768 -16.350 1.00 0.00 H new ATOM 0 HA THR A 96 13.457 13.924 -18.495 1.00 0.00 H new ATOM 0 HB THR A 96 11.650 14.589 -16.988 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.346 15.408 -14.919 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.226 13.217 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.779 12.454 -16.529 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.945 13.288 -15.476 1.00 0.00 H new ATOM 1233 N ASN A 97 14.273 17.032 -18.230 1.00 0.00 N ATOM 1234 CA ASN A 97 14.119 18.372 -18.785 1.00 0.00 C ATOM 1235 C ASN A 97 14.736 18.467 -20.174 1.00 0.00 C ATOM 1236 O ASN A 97 14.223 19.170 -21.045 1.00 0.00 O ATOM 1237 CB ASN A 97 14.728 19.407 -17.858 1.00 0.00 C ATOM 1238 CG ASN A 97 13.917 19.613 -16.609 1.00 0.00 C ATOM 1239 OD1 ASN A 97 12.687 19.486 -16.625 1.00 0.00 O ATOM 1240 ND2 ASN A 97 14.581 19.930 -15.527 1.00 0.00 N ATOM 0 H ASN A 97 15.092 16.915 -17.634 1.00 0.00 H new ATOM 0 HA ASN A 97 13.052 18.576 -18.878 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.736 19.096 -17.585 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.819 20.355 -18.388 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.084 20.083 -14.650 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.596 20.024 -15.561 1.00 0.00 H new ATOM 1247 N ASN A 98 15.840 17.755 -20.376 1.00 0.00 N ATOM 1248 CA ASN A 98 16.518 17.742 -21.666 1.00 0.00 C ATOM 1249 C ASN A 98 16.251 16.444 -22.416 1.00 0.00 C ATOM 1250 O ASN A 98 16.663 16.283 -23.565 1.00 0.00 O ATOM 1251 CB ASN A 98 18.010 17.959 -21.488 1.00 0.00 C ATOM 1252 CG ASN A 98 18.341 19.350 -21.022 1.00 0.00 C ATOM 1253 OD1 ASN A 98 18.100 20.330 -21.736 1.00 0.00 O ATOM 1254 ND2 ASN A 98 18.887 19.454 -19.838 1.00 0.00 N ATOM 0 H ASN A 98 16.284 17.179 -19.661 1.00 0.00 H new ATOM 0 HA ASN A 98 16.118 18.562 -22.263 1.00 0.00 H new ATOM 0 HB2 ASN A 98 18.395 17.237 -20.767 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.517 17.766 -22.434 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.132 20.372 -19.468 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.067 18.617 -19.284 1.00 0.00 H new ATOM 1261 N ALA A 99 15.559 15.519 -21.760 1.00 0.00 N ATOM 1262 CA ALA A 99 15.191 14.252 -22.381 1.00 0.00 C ATOM 1263 C ALA A 99 16.419 13.516 -22.900 1.00 0.00 C ATOM 1264 O ALA A 99 16.472 13.119 -24.064 1.00 0.00 O ATOM 1265 CB ALA A 99 14.198 14.485 -23.511 1.00 0.00 C ATOM 0 H ALA A 99 15.241 15.623 -20.796 1.00 0.00 H new ATOM 0 HA ALA A 99 14.721 13.629 -21.620 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.933 13.530 -23.965 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.301 14.960 -23.115 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.649 15.132 -24.264 1.00 0.00 H new ATOM 1271 N THR A 100 17.407 13.336 -22.029 1.00 0.00 N ATOM 1272 CA THR A 100 18.662 12.702 -22.414 1.00 0.00 C ATOM 1273 C THR A 100 19.300 11.981 -21.233 1.00 0.00 C ATOM 1274 O THR A 100 19.073 12.341 -20.078 1.00 0.00 O ATOM 1275 CB THR A 100 19.651 13.734 -22.986 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.809 13.059 -23.495 1.00 0.00 O ATOM 1277 CG2 THR A 100 20.077 14.720 -21.908 1.00 0.00 C ATOM 0 H THR A 100 17.362 13.621 -21.051 1.00 0.00 H new ATOM 0 HA THR A 100 18.430 11.970 -23.187 1.00 0.00 H new ATOM 0 HB THR A 100 19.157 14.281 -23.790 1.00 0.00 H new ATOM 0 HG1 THR A 100 21.437 13.717 -23.860 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.776 15.442 -22.331 1.00 0.00 H new ATOM 0 HG22 THR A 100 19.200 15.244 -21.527 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.560 14.181 -21.093 1.00 0.00 H new ATOM 1285 N CYS A 101 20.099 10.963 -21.531 1.00 0.00 N ATOM 1286 CA CYS A 101 20.763 10.181 -20.493 1.00 0.00 C ATOM 1287 C CYS A 101 22.187 10.669 -20.263 1.00 0.00 C ATOM 1288 O CYS A 101 22.975 10.782 -21.202 1.00 0.00 O ATOM 1289 CB CYS A 101 20.791 8.700 -20.871 1.00 0.00 C ATOM 1290 SG CYS A 101 19.154 7.963 -21.094 1.00 0.00 S ATOM 0 H CYS A 101 20.303 10.659 -22.483 1.00 0.00 H new ATOM 0 HA CYS A 101 20.194 10.309 -19.572 1.00 0.00 H new ATOM 0 HB2 CYS A 101 21.359 8.582 -21.794 1.00 0.00 H new ATOM 0 HB3 CYS A 101 21.323 8.148 -20.096 1.00 0.00 H new ATOM 1295 N GLU A 102 22.513 10.957 -19.007 1.00 0.00 N ATOM 1296 CA GLU A 102 23.828 11.479 -18.657 1.00 0.00 C ATOM 1297 C GLU A 102 24.421 10.728 -17.472 1.00 0.00 C ATOM 1298 O GLU A 102 23.703 10.069 -16.719 1.00 0.00 O ATOM 1299 CB GLU A 102 23.741 12.972 -18.335 1.00 0.00 C ATOM 1300 CG GLU A 102 23.340 13.847 -19.514 1.00 0.00 C ATOM 1301 CD GLU A 102 23.360 15.314 -19.187 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.617 15.648 -18.055 1.00 0.00 O ATOM 1303 OE2 GLU A 102 23.119 16.103 -20.071 1.00 0.00 O1- ATOM 0 H GLU A 102 21.883 10.837 -18.214 1.00 0.00 H new ATOM 0 HA GLU A 102 24.483 11.336 -19.517 1.00 0.00 H new ATOM 0 HB2 GLU A 102 23.021 13.116 -17.530 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.708 13.308 -17.961 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.016 13.656 -20.348 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.340 13.567 -19.844 1.00 0.00 H new ATOM 1310 N MET A 103 25.736 10.830 -17.311 1.00 0.00 N ATOM 1311 CA MET A 103 26.426 10.172 -16.208 1.00 0.00 C ATOM 1312 C MET A 103 26.659 11.136 -15.051 1.00 0.00 C ATOM 1313 O MET A 103 27.165 12.241 -15.243 1.00 0.00 O ATOM 1314 CB MET A 103 27.753 9.587 -16.689 1.00 0.00 C ATOM 1315 CG MET A 103 28.551 8.866 -15.612 1.00 0.00 C ATOM 1316 SD MET A 103 30.094 8.172 -16.237 1.00 0.00 S ATOM 1317 CE MET A 103 29.484 6.754 -17.145 1.00 0.00 C ATOM 0 H MET A 103 26.346 11.363 -17.931 1.00 0.00 H new ATOM 0 HA MET A 103 25.792 9.362 -15.847 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.555 8.891 -17.504 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.363 10.392 -17.099 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.772 9.561 -14.802 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.943 8.067 -15.189 1.00 0.00 H new ATOM 0 HE1 MET A 103 30.170 5.917 -17.015 1.00 0.00 H new ATOM 0 HE2 MET A 103 28.499 6.478 -16.769 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.412 7.003 -18.204 1.00 0.00 H new ATOM 1327 N PHE A 104 26.287 10.709 -13.849 1.00 0.00 N ATOM 1328 CA PHE A 104 26.469 11.527 -12.656 1.00 0.00 C ATOM 1329 C PHE A 104 27.263 10.780 -11.592 1.00 0.00 C ATOM 1330 O PHE A 104 27.389 9.557 -11.642 1.00 0.00 O ATOM 1331 CB PHE A 104 25.114 11.950 -12.085 1.00 0.00 C ATOM 1332 CG PHE A 104 24.336 12.866 -12.987 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.513 12.352 -13.978 1.00 0.00 C ATOM 1334 CD2 PHE A 104 24.426 14.242 -12.846 1.00 0.00 C ATOM 1335 CE1 PHE A 104 22.797 13.194 -14.808 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.711 15.086 -13.673 1.00 0.00 C ATOM 1337 CZ PHE A 104 22.895 14.561 -14.656 1.00 0.00 C ATOM 0 H PHE A 104 25.857 9.800 -13.675 1.00 0.00 H new ATOM 0 HA PHE A 104 27.030 12.415 -12.946 1.00 0.00 H new ATOM 0 HB2 PHE A 104 24.519 11.058 -11.887 1.00 0.00 H new ATOM 0 HB3 PHE A 104 25.272 12.446 -11.128 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.431 11.282 -14.102 1.00 0.00 H new ATOM 0 HD2 PHE A 104 25.063 14.659 -12.080 1.00 0.00 H new ATOM 0 HE1 PHE A 104 22.160 12.781 -15.576 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.790 16.156 -13.551 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.335 15.219 -15.304 1.00 0.00 H new ATOM 1347 N THR A 105 27.797 11.523 -10.628 1.00 0.00 N ATOM 1348 CA THR A 105 28.584 10.933 -9.552 1.00 0.00 C ATOM 1349 C THR A 105 27.699 10.530 -8.380 1.00 0.00 C ATOM 1350 O THR A 105 27.236 11.379 -7.618 1.00 0.00 O ATOM 1351 CB THR A 105 29.675 11.904 -9.066 1.00 0.00 C ATOM 1352 OG1 THR A 105 30.553 12.224 -10.154 1.00 0.00 O ATOM 1353 CG2 THR A 105 30.480 11.280 -7.937 1.00 0.00 C ATOM 0 H THR A 105 27.699 12.537 -10.570 1.00 0.00 H new ATOM 0 HA THR A 105 29.062 10.040 -9.954 1.00 0.00 H new ATOM 0 HB THR A 105 29.195 12.811 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 105 31.246 12.844 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.247 11.981 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 105 29.817 11.047 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 105 30.954 10.364 -8.291 1.00 0.00 H new ATOM 1361 N TYR A 106 27.467 9.229 -8.240 1.00 0.00 N ATOM 1362 CA TYR A 106 26.635 8.711 -7.160 1.00 0.00 C ATOM 1363 C TYR A 106 27.329 8.856 -5.812 1.00 0.00 C ATOM 1364 O TYR A 106 28.444 8.370 -5.621 1.00 0.00 O ATOM 1365 CB TYR A 106 26.277 7.246 -7.417 1.00 0.00 C ATOM 1366 CG TYR A 106 25.318 6.665 -6.401 1.00 0.00 C ATOM 1367 CD1 TYR A 106 24.122 7.312 -6.127 1.00 0.00 C ATOM 1368 CD2 TYR A 106 25.635 5.485 -5.744 1.00 0.00 C ATOM 1369 CE1 TYR A 106 23.246 6.781 -5.199 1.00 0.00 C ATOM 1370 CE2 TYR A 106 24.759 4.955 -4.816 1.00 0.00 C ATOM 1371 CZ TYR A 106 23.569 5.599 -4.544 1.00 0.00 C ATOM 1372 OH TYR A 106 22.697 5.070 -3.620 1.00 0.00 O ATOM 0 H TYR A 106 27.844 8.513 -8.862 1.00 0.00 H new ATOM 0 HA TYR A 106 25.717 9.299 -7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 106 25.837 7.158 -8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.192 6.653 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 106 23.875 8.231 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 106 26.566 4.981 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 106 22.314 7.283 -4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 106 25.006 4.037 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 106 21.790 5.390 -3.806 1.00 0.00 H new ATOM 1382 N GLY A 107 26.663 9.528 -4.879 1.00 0.00 N ATOM 1383 CA GLY A 107 27.277 9.883 -3.605 1.00 0.00 C ATOM 1384 C GLY A 107 27.072 8.784 -2.570 1.00 0.00 C ATOM 1385 O GLY A 107 27.730 8.768 -1.529 1.00 0.00 O ATOM 0 H GLY A 107 25.697 9.838 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.343 10.057 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.848 10.816 -3.239 1.00 0.00 H new ATOM 1389 N GLY A 108 26.156 7.867 -2.862 1.00 0.00 N ATOM 1390 CA GLY A 108 25.924 6.715 -1.999 1.00 0.00 C ATOM 1391 C GLY A 108 24.770 6.970 -1.038 1.00 0.00 C ATOM 1392 O GLY A 108 24.680 6.344 0.019 1.00 0.00 O ATOM 0 H GLY A 108 25.562 7.899 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 108 25.706 5.838 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 108 26.829 6.493 -1.434 1.00 0.00 H new ATOM 1396 N ILE A 109 23.889 7.892 -1.411 1.00 0.00 N ATOM 1397 CA ILE A 109 22.765 8.265 -0.561 1.00 0.00 C ATOM 1398 C ILE A 109 21.437 7.900 -1.212 1.00 0.00 C ATOM 1399 O ILE A 109 20.850 8.701 -1.938 1.00 0.00 O ATOM 1400 CB ILE A 109 22.788 9.773 -0.251 1.00 0.00 C ATOM 1401 CG1 ILE A 109 24.131 10.171 0.368 1.00 0.00 C ATOM 1402 CG2 ILE A 109 21.641 10.143 0.677 1.00 0.00 C ATOM 1403 CD1 ILE A 109 24.416 9.499 1.692 1.00 0.00 C ATOM 0 H ILE A 109 23.932 8.395 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 109 22.864 7.708 0.371 1.00 0.00 H new ATOM 0 HB ILE A 109 22.664 10.320 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 109 24.930 9.927 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 109 24.150 11.252 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 109 21.672 11.212 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 109 20.693 9.894 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 109 21.735 9.588 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 109 25.384 9.831 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 109 23.639 9.763 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 109 24.431 8.418 1.555 1.00 0.00 H new ATOM 1415 N THR A 110 20.968 6.685 -0.946 1.00 0.00 N ATOM 1416 CA THR A 110 19.667 6.244 -1.433 1.00 0.00 C ATOM 1417 C THR A 110 19.477 6.600 -2.901 1.00 0.00 C ATOM 1418 O THR A 110 20.367 6.380 -3.723 1.00 0.00 O ATOM 1419 CB THR A 110 18.526 6.858 -0.600 1.00 0.00 C ATOM 1420 OG1 THR A 110 18.476 8.273 -0.824 1.00 0.00 O ATOM 1421 CG2 THR A 110 18.743 6.590 0.881 1.00 0.00 C ATOM 0 H THR A 110 21.470 5.988 -0.396 1.00 0.00 H new ATOM 0 HA THR A 110 19.636 5.159 -1.329 1.00 0.00 H new ATOM 0 HB THR A 110 17.585 6.401 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 110 19.114 8.516 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.927 7.031 1.454 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.769 5.514 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 110 19.688 7.032 1.196 1.00 0.00 H new ATOM 1429 N GLY A 111 18.313 7.153 -3.226 1.00 0.00 N ATOM 1430 CA GLY A 111 17.975 7.471 -4.607 1.00 0.00 C ATOM 1431 C GLY A 111 16.593 6.943 -4.972 1.00 0.00 C ATOM 1432 O GLY A 111 15.918 6.323 -4.150 1.00 0.00 O ATOM 0 H GLY A 111 17.587 7.390 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.004 8.551 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 111 18.720 7.039 -5.275 1.00 0.00 H new ATOM 1436 N ASN A 112 16.178 7.192 -6.209 1.00 0.00 N ATOM 1437 CA ASN A 112 14.863 6.768 -6.676 1.00 0.00 C ATOM 1438 C ASN A 112 14.975 5.895 -7.919 1.00 0.00 C ATOM 1439 O ASN A 112 16.066 5.456 -8.285 1.00 0.00 O ATOM 1440 CB ASN A 112 13.979 7.972 -6.947 1.00 0.00 C ATOM 1441 CG ASN A 112 14.495 8.827 -8.070 1.00 0.00 C ATOM 1442 OD1 ASN A 112 14.970 8.314 -9.090 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.411 10.122 -7.904 1.00 0.00 N ATOM 0 H ASN A 112 16.734 7.686 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 112 14.404 6.171 -5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 112 12.972 7.632 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 112 13.904 8.574 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 112 14.745 10.752 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.011 10.501 -7.046 1.00 0.00 H new ATOM 1450 N LYS A 113 13.841 5.646 -8.566 1.00 0.00 N ATOM 1451 CA LYS A 113 13.782 4.697 -9.671 1.00 0.00 C ATOM 1452 C LYS A 113 14.678 5.135 -10.822 1.00 0.00 C ATOM 1453 O LYS A 113 15.220 4.304 -11.550 1.00 0.00 O ATOM 1454 CB LYS A 113 12.342 4.534 -10.159 1.00 0.00 C ATOM 1455 CG LYS A 113 11.413 3.851 -9.163 1.00 0.00 C ATOM 1456 CD LYS A 113 10.037 3.612 -9.765 1.00 0.00 C ATOM 1457 CE LYS A 113 10.043 2.418 -10.707 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.239 1.135 -9.979 1.00 0.00 N1+ ATOM 0 H LYS A 113 12.950 6.089 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 113 14.143 3.736 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.939 5.518 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.348 3.959 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.846 2.900 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.319 4.467 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.313 3.444 -8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.715 4.502 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.101 2.384 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.836 2.542 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.063 0.636 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.400 1.329 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.391 0.542 -10.086 1.00 0.00 H new ATOM 1472 N ASN A 114 14.831 6.446 -10.981 1.00 0.00 N ATOM 1473 CA ASN A 114 15.712 6.996 -12.004 1.00 0.00 C ATOM 1474 C ASN A 114 17.176 6.772 -11.650 1.00 0.00 C ATOM 1475 O ASN A 114 17.831 7.651 -11.090 1.00 0.00 O ATOM 1476 CB ASN A 114 15.432 8.473 -12.212 1.00 0.00 C ATOM 1477 CG ASN A 114 16.198 9.049 -13.370 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.178 8.458 -13.837 1.00 0.00 O ATOM 1479 ND2 ASN A 114 15.769 10.191 -13.843 1.00 0.00 N ATOM 0 H ASN A 114 14.355 7.147 -10.413 1.00 0.00 H new ATOM 0 HA ASN A 114 15.510 6.470 -12.937 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.365 8.617 -12.380 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.688 9.019 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.248 10.630 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.955 10.643 -13.425 1.00 0.00 H new ATOM 1486 N ASN A 115 17.685 5.590 -11.979 1.00 0.00 N ATOM 1487 CA ASN A 115 19.041 5.208 -11.602 1.00 0.00 C ATOM 1488 C ASN A 115 19.478 3.941 -12.327 1.00 0.00 C ATOM 1489 O ASN A 115 19.075 2.836 -11.963 1.00 0.00 O ATOM 1490 CB ASN A 115 19.147 5.027 -10.099 1.00 0.00 C ATOM 1491 CG ASN A 115 20.557 4.771 -9.645 1.00 0.00 C ATOM 1492 OD1 ASN A 115 21.477 4.668 -10.465 1.00 0.00 O ATOM 1493 ND2 ASN A 115 20.745 4.667 -8.355 1.00 0.00 N ATOM 0 H ASN A 115 17.178 4.879 -12.507 1.00 0.00 H new ATOM 0 HA ASN A 115 19.711 6.014 -11.902 1.00 0.00 H new ATOM 0 HB2 ASN A 115 18.765 5.919 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 115 18.514 4.195 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 115 21.681 4.494 -7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 115 19.956 4.759 -7.716 1.00 0.00 H new ATOM 1500 N PHE A 116 20.304 4.108 -13.354 1.00 0.00 N ATOM 1501 CA PHE A 116 20.571 3.035 -14.305 1.00 0.00 C ATOM 1502 C PHE A 116 22.038 2.625 -14.275 1.00 0.00 C ATOM 1503 O PHE A 116 22.909 3.426 -13.936 1.00 0.00 O ATOM 1504 CB PHE A 116 20.185 3.467 -15.720 1.00 0.00 C ATOM 1505 CG PHE A 116 18.767 3.947 -15.843 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.471 5.301 -15.789 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.726 3.046 -16.010 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.166 5.743 -15.901 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.422 3.485 -16.124 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.142 4.836 -16.069 1.00 0.00 C ATOM 0 H PHE A 116 20.801 4.977 -13.549 1.00 0.00 H new ATOM 0 HA PHE A 116 19.966 2.176 -14.014 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.857 4.262 -16.043 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.335 2.628 -16.399 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.268 6.017 -15.658 1.00 0.00 H new ATOM 0 HD2 PHE A 116 17.938 1.988 -16.051 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.949 6.800 -15.857 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.621 2.772 -16.256 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.123 5.181 -16.157 1.00 0.00 H new ATOM 1520 N GLU A 117 22.304 1.373 -14.632 1.00 0.00 N ATOM 1521 CA GLU A 117 23.669 0.860 -14.664 1.00 0.00 C ATOM 1522 C GLU A 117 24.385 1.279 -15.941 1.00 0.00 C ATOM 1523 O GLU A 117 25.608 1.421 -15.960 1.00 0.00 O ATOM 1524 CB GLU A 117 23.667 -0.666 -14.546 1.00 0.00 C ATOM 1525 CG GLU A 117 23.180 -1.192 -13.203 1.00 0.00 C ATOM 1526 CD GLU A 117 24.139 -0.906 -12.080 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.322 -0.910 -12.320 1.00 0.00 O ATOM 1528 OE2 GLU A 117 23.686 -0.684 -10.982 1.00 0.00 O1- ATOM 0 H GLU A 117 21.592 0.695 -14.903 1.00 0.00 H new ATOM 0 HA GLU A 117 24.205 1.285 -13.815 1.00 0.00 H new ATOM 0 HB2 GLU A 117 23.037 -1.078 -15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 117 24.678 -1.033 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 117 22.214 -0.744 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 117 23.023 -2.268 -13.275 1.00 0.00 H new ATOM 1535 N SER A 118 23.617 1.476 -17.007 1.00 0.00 N ATOM 1536 CA SER A 118 24.185 1.774 -18.316 1.00 0.00 C ATOM 1537 C SER A 118 23.291 2.726 -19.101 1.00 0.00 C ATOM 1538 O SER A 118 22.099 2.846 -18.820 1.00 0.00 O ATOM 1539 CB SER A 118 24.388 0.493 -19.101 1.00 0.00 C ATOM 1540 OG SER A 118 23.158 -0.093 -19.431 1.00 0.00 O ATOM 0 H SER A 118 22.598 1.435 -16.990 1.00 0.00 H new ATOM 0 HA SER A 118 25.149 2.260 -18.162 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.950 0.705 -20.011 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.983 -0.207 -18.514 1.00 0.00 H new ATOM 0 HG SER A 118 23.314 -0.917 -19.938 1.00 0.00 H new ATOM 1546 N GLU A 119 23.874 3.401 -20.086 1.00 0.00 N ATOM 1547 CA GLU A 119 23.109 4.249 -20.992 1.00 0.00 C ATOM 1548 C GLU A 119 22.011 3.458 -21.691 1.00 0.00 C ATOM 1549 O GLU A 119 20.909 3.964 -21.906 1.00 0.00 O ATOM 1550 CB GLU A 119 24.032 4.888 -22.032 1.00 0.00 C ATOM 1551 CG GLU A 119 23.333 5.841 -22.991 1.00 0.00 C ATOM 1552 CD GLU A 119 24.275 6.475 -23.976 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.463 6.338 -23.805 1.00 0.00 O ATOM 1554 OE2 GLU A 119 23.807 7.096 -24.901 1.00 0.00 O1- ATOM 0 H GLU A 119 24.876 3.377 -20.277 1.00 0.00 H new ATOM 0 HA GLU A 119 22.641 5.034 -20.398 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.824 5.429 -21.514 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.511 4.097 -22.609 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.559 5.299 -23.534 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.833 6.623 -22.419 1.00 0.00 H new ATOM 1561 N GLU A 120 22.317 2.214 -22.043 1.00 0.00 N ATOM 1562 CA GLU A 120 21.339 1.332 -22.670 1.00 0.00 C ATOM 1563 C GLU A 120 20.090 1.195 -21.809 1.00 0.00 C ATOM 1564 O GLU A 120 18.971 1.387 -22.287 1.00 0.00 O ATOM 1565 CB GLU A 120 21.950 -0.048 -22.922 1.00 0.00 C ATOM 1566 CG GLU A 120 21.009 -1.039 -23.592 1.00 0.00 C ATOM 1567 CD GLU A 120 21.651 -2.374 -23.848 1.00 0.00 C ATOM 1568 OE1 GLU A 120 22.811 -2.522 -23.545 1.00 0.00 O ATOM 1569 OE2 GLU A 120 20.981 -3.247 -24.347 1.00 0.00 O1- ATOM 0 H GLU A 120 23.236 1.793 -21.905 1.00 0.00 H new ATOM 0 HA GLU A 120 21.052 1.776 -23.623 1.00 0.00 H new ATOM 0 HB2 GLU A 120 22.838 0.069 -23.544 1.00 0.00 H new ATOM 0 HB3 GLU A 120 22.280 -0.465 -21.971 1.00 0.00 H new ATOM 0 HG2 GLU A 120 20.129 -1.179 -22.964 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.662 -0.621 -24.537 1.00 0.00 H new ATOM 1576 N GLU A 121 20.286 0.863 -20.538 1.00 0.00 N ATOM 1577 CA GLU A 121 19.176 0.709 -19.606 1.00 0.00 C ATOM 1578 C GLU A 121 18.352 1.986 -19.514 1.00 0.00 C ATOM 1579 O GLU A 121 17.121 1.944 -19.520 1.00 0.00 O ATOM 1580 CB GLU A 121 19.694 0.324 -18.218 1.00 0.00 C ATOM 1581 CG GLU A 121 20.219 -1.101 -18.116 1.00 0.00 C ATOM 1582 CD GLU A 121 20.709 -1.447 -16.737 1.00 0.00 C ATOM 1583 OE1 GLU A 121 20.662 -0.597 -15.880 1.00 0.00 O ATOM 1584 OE2 GLU A 121 21.130 -2.562 -16.540 1.00 0.00 O1- ATOM 0 H GLU A 121 21.205 0.695 -20.129 1.00 0.00 H new ATOM 0 HA GLU A 121 18.534 -0.087 -19.983 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.491 1.013 -17.937 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.890 0.455 -17.494 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.428 -1.795 -18.400 1.00 0.00 H new ATOM 0 HG3 GLU A 121 21.032 -1.235 -18.829 1.00 0.00 H new ATOM 1591 N CYS A 122 19.037 3.122 -19.430 1.00 0.00 N ATOM 1592 CA CYS A 122 18.369 4.416 -19.367 1.00 0.00 C ATOM 1593 C CYS A 122 17.428 4.610 -20.549 1.00 0.00 C ATOM 1594 O CYS A 122 16.232 4.841 -20.371 1.00 0.00 O ATOM 1595 CB CYS A 122 19.395 5.550 -19.348 1.00 0.00 C ATOM 1596 SG CYS A 122 18.666 7.204 -19.276 1.00 0.00 S ATOM 0 H CYS A 122 20.055 3.172 -19.404 1.00 0.00 H new ATOM 0 HA CYS A 122 17.786 4.438 -18.447 1.00 0.00 H new ATOM 0 HB2 CYS A 122 20.052 5.417 -18.489 1.00 0.00 H new ATOM 0 HB3 CYS A 122 20.017 5.477 -20.240 1.00 0.00 H new ATOM 1601 N LYS A 123 17.975 4.514 -21.756 1.00 0.00 N ATOM 1602 CA LYS A 123 17.223 4.828 -22.965 1.00 0.00 C ATOM 1603 C LYS A 123 16.127 3.801 -23.215 1.00 0.00 C ATOM 1604 O LYS A 123 15.005 4.152 -23.579 1.00 0.00 O ATOM 1605 CB LYS A 123 18.159 4.905 -24.173 1.00 0.00 C ATOM 1606 CG LYS A 123 19.067 6.127 -24.189 1.00 0.00 C ATOM 1607 CD LYS A 123 19.975 6.125 -25.410 1.00 0.00 C ATOM 1608 CE LYS A 123 20.778 7.413 -25.505 1.00 0.00 C ATOM 1609 NZ LYS A 123 21.749 7.381 -26.633 1.00 0.00 N1+ ATOM 0 H LYS A 123 18.938 4.221 -21.923 1.00 0.00 H new ATOM 0 HA LYS A 123 16.751 5.800 -22.821 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.777 4.008 -24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.559 4.902 -25.083 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.461 7.033 -24.185 1.00 0.00 H new ATOM 0 HG3 LYS A 123 19.673 6.145 -23.283 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.654 5.274 -25.359 1.00 0.00 H new ATOM 0 HD3 LYS A 123 19.375 6.001 -26.312 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.099 8.255 -25.635 1.00 0.00 H new ATOM 0 HE3 LYS A 123 21.313 7.577 -24.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.718 7.411 -26.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 21.617 6.507 -27.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 21.591 8.203 -27.250 1.00 0.00 H new ATOM 1623 N GLU A 124 16.459 2.529 -23.017 1.00 0.00 N ATOM 1624 CA GLU A 124 15.535 1.441 -23.313 1.00 0.00 C ATOM 1625 C GLU A 124 14.368 1.428 -22.334 1.00 0.00 C ATOM 1626 O GLU A 124 13.243 1.086 -22.698 1.00 0.00 O ATOM 1627 CB GLU A 124 16.263 0.096 -23.272 1.00 0.00 C ATOM 1628 CG GLU A 124 17.263 -0.112 -24.400 1.00 0.00 C ATOM 1629 CD GLU A 124 16.631 -0.044 -25.762 1.00 0.00 C ATOM 1630 OE1 GLU A 124 15.623 -0.678 -25.961 1.00 0.00 O ATOM 1631 OE2 GLU A 124 17.157 0.644 -26.606 1.00 0.00 O1- ATOM 0 H GLU A 124 17.362 2.227 -22.652 1.00 0.00 H new ATOM 0 HA GLU A 124 15.140 1.603 -24.316 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.785 0.008 -22.319 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.524 -0.705 -23.306 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.045 0.644 -24.330 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.745 -1.082 -24.277 1.00 0.00 H new ATOM 1638 N THR A 125 14.644 1.802 -21.089 1.00 0.00 N ATOM 1639 CA THR A 125 13.595 1.968 -20.089 1.00 0.00 C ATOM 1640 C THR A 125 12.617 3.064 -20.493 1.00 0.00 C ATOM 1641 O THR A 125 11.405 2.912 -20.347 1.00 0.00 O ATOM 1642 CB THR A 125 14.193 2.291 -18.707 1.00 0.00 C ATOM 1643 OG1 THR A 125 14.999 1.192 -18.264 1.00 0.00 O ATOM 1644 CG2 THR A 125 13.087 2.545 -17.694 1.00 0.00 C ATOM 0 H THR A 125 15.586 1.996 -20.748 1.00 0.00 H new ATOM 0 HA THR A 125 13.055 1.023 -20.027 1.00 0.00 H new ATOM 0 HB THR A 125 14.806 3.188 -18.793 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.920 1.315 -18.576 1.00 0.00 H new ATOM 0 HG21 THR A 125 13.528 2.772 -16.723 1.00 0.00 H new ATOM 0 HG22 THR A 125 12.479 3.388 -18.022 1.00 0.00 H new ATOM 0 HG23 THR A 125 12.460 1.657 -17.609 1.00 0.00 H new ATOM 1652 N CYS A 126 13.152 4.169 -21.001 1.00 0.00 N ATOM 1653 CA CYS A 126 12.325 5.274 -21.472 1.00 0.00 C ATOM 1654 C CYS A 126 11.497 4.864 -22.683 1.00 0.00 C ATOM 1655 O CYS A 126 10.369 5.324 -22.859 1.00 0.00 O ATOM 1656 CB CYS A 126 13.194 6.478 -21.838 1.00 0.00 C ATOM 1657 SG CYS A 126 14.023 7.247 -20.426 1.00 0.00 S ATOM 0 H CYS A 126 14.156 4.323 -21.097 1.00 0.00 H new ATOM 0 HA CYS A 126 11.650 5.547 -20.661 1.00 0.00 H new ATOM 0 HB2 CYS A 126 13.947 6.163 -22.560 1.00 0.00 H new ATOM 0 HB3 CYS A 126 12.572 7.225 -22.331 1.00 0.00 H new ATOM 1662 N LYS A 127 12.064 3.998 -23.515 1.00 0.00 N ATOM 1663 CA LYS A 127 11.328 3.413 -24.630 1.00 0.00 C ATOM 1664 C LYS A 127 10.180 2.542 -24.136 1.00 0.00 C ATOM 1665 O LYS A 127 9.095 2.539 -24.718 1.00 0.00 O ATOM 1666 CB LYS A 127 12.265 2.593 -25.519 1.00 0.00 C ATOM 1667 CG LYS A 127 13.262 3.424 -26.316 1.00 0.00 C ATOM 1668 CD LYS A 127 14.186 2.538 -27.138 1.00 0.00 C ATOM 1669 CE LYS A 127 15.280 3.354 -27.812 1.00 0.00 C ATOM 1670 NZ LYS A 127 16.229 2.493 -28.569 1.00 0.00 N1+ ATOM 0 H LYS A 127 13.032 3.685 -23.439 1.00 0.00 H new ATOM 0 HA LYS A 127 10.908 4.230 -25.217 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.815 1.889 -24.895 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.665 2.004 -26.212 1.00 0.00 H new ATOM 0 HG2 LYS A 127 12.725 4.105 -26.976 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.853 4.038 -25.636 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.637 1.783 -26.494 1.00 0.00 H new ATOM 0 HD3 LYS A 127 13.607 2.008 -27.894 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.827 4.078 -28.489 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.826 3.921 -27.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 16.987 3.081 -28.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.642 1.785 -27.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.722 2.010 -29.338 1.00 0.00 H new ATOM 1684 N GLY A 128 10.426 1.803 -23.059 1.00 0.00 N ATOM 1685 CA GLY A 128 9.399 0.961 -22.457 1.00 0.00 C ATOM 1686 C GLY A 128 9.833 -0.499 -22.424 1.00 0.00 C ATOM 1687 O GLY A 128 9.014 -1.404 -22.578 1.00 0.00 O ATOM 0 H GLY A 128 11.329 1.770 -22.585 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.192 1.304 -21.444 1.00 0.00 H new ATOM 0 HA3 GLY A 128 8.471 1.055 -23.021 1.00 0.00 H new ATOM 1691 N PHE A 129 11.127 -0.721 -22.221 1.00 0.00 N ATOM 1692 CA PHE A 129 11.670 -2.072 -22.147 1.00 0.00 C ATOM 1693 C PHE A 129 12.358 -2.317 -20.810 1.00 0.00 C ATOM 1694 O PHE A 129 12.937 -1.404 -20.222 1.00 0.00 O ATOM 1695 CB PHE A 129 12.661 -2.312 -23.287 1.00 0.00 C ATOM 1696 CG PHE A 129 12.048 -2.207 -24.655 1.00 0.00 C ATOM 1697 CD1 PHE A 129 12.141 -1.030 -25.383 1.00 0.00 C ATOM 1698 CD2 PHE A 129 11.378 -3.283 -25.216 1.00 0.00 C ATOM 1699 CE1 PHE A 129 11.577 -0.932 -26.641 1.00 0.00 C ATOM 1700 CE2 PHE A 129 10.815 -3.188 -26.473 1.00 0.00 C ATOM 1701 CZ PHE A 129 10.915 -2.011 -27.187 1.00 0.00 C ATOM 0 H PHE A 129 11.820 0.018 -22.105 1.00 0.00 H new ATOM 0 HA PHE A 129 10.837 -2.769 -22.240 1.00 0.00 H new ATOM 0 HB2 PHE A 129 13.474 -1.591 -23.207 1.00 0.00 H new ATOM 0 HB3 PHE A 129 13.101 -3.303 -23.171 1.00 0.00 H new ATOM 0 HD1 PHE A 129 12.660 -0.181 -24.962 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.295 -4.207 -24.663 1.00 0.00 H new ATOM 0 HE1 PHE A 129 11.655 -0.009 -27.197 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.296 -4.035 -26.898 1.00 0.00 H new ATOM 0 HZ PHE A 129 10.476 -1.936 -28.171 1.00 0.00 H new