USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 438 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 8 SER OG : rot 65:sc= -1.63! USER MOD Set 1.2: A 10 GLN :FLIP amide:sc= -1.01 F(o=-4.2!,f=-2.6) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.53! C(o=-4.2!,f=-12!) USER MOD Set 2.2: A 15 THR OG1 : rot 41:sc= -0.717 USER MOD Set 3.1: A 4 HIS :FLIP no HD1:sc= -3.47! C(o=-12!,f=-11!) USER MOD Set 3.2: A 6 GLN :FLIP amide:sc= -1.76! C(o=-12!,f=-11!) USER MOD Set 3.3: A 61 ASN : amide:sc= -5.27! C(o=-11!,f=-12!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -59:sc= 0.0208 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 104:sc= 0.727 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00742 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.3!) USER MOD Single : A 25 TYR OH : rot 30:sc= 0.00021 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -8:sc= 0.187! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.12) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -14.302 5.623 -7.419 1.00 0.00 N ATOM 2 CA LEU A 1 -12.958 5.658 -6.779 1.00 0.00 C ATOM 3 C LEU A 1 -12.786 4.425 -5.891 1.00 0.00 C ATOM 4 O LEU A 1 -13.156 4.423 -4.734 1.00 0.00 O ATOM 5 CB LEU A 1 -12.834 6.923 -5.927 1.00 0.00 C ATOM 6 CG LEU A 1 -12.073 7.993 -6.710 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.287 9.357 -6.054 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.580 7.655 -6.713 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.421 6.461 -8.023 1.00 0.00 H new ATOM 0 H2 LEU A 1 -14.388 4.763 -7.998 1.00 0.00 H new ATOM 0 H3 LEU A 1 -15.037 5.620 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.186 5.661 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.824 7.290 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.312 6.698 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 1 -12.441 8.024 -7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.744 10.119 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.350 9.597 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -11.920 9.329 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.036 8.417 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.212 7.624 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.428 6.683 -7.183 1.00 0.00 H new ATOM 22 N GLU A 2 -12.231 3.373 -6.427 1.00 0.00 N ATOM 23 CA GLU A 2 -12.039 2.139 -5.616 1.00 0.00 C ATOM 24 C GLU A 2 -10.672 1.528 -5.929 1.00 0.00 C ATOM 25 O GLU A 2 -10.331 1.295 -7.072 1.00 0.00 O ATOM 26 CB GLU A 2 -13.135 1.129 -5.961 1.00 0.00 C ATOM 27 CG GLU A 2 -13.029 0.746 -7.438 1.00 0.00 C ATOM 28 CD GLU A 2 -14.421 0.438 -7.989 1.00 0.00 C ATOM 29 OE1 GLU A 2 -15.189 -0.197 -7.283 1.00 0.00 O ATOM 30 OE2 GLU A 2 -14.697 0.839 -9.108 1.00 0.00 O ATOM 0 H GLU A 2 -11.903 3.315 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.091 2.390 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.036 0.241 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.116 1.556 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.575 1.560 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.381 -0.123 -7.553 1.00 0.00 H new ATOM 37 N CYS A 3 -9.888 1.262 -4.921 1.00 0.00 N ATOM 38 CA CYS A 3 -8.546 0.663 -5.160 1.00 0.00 C ATOM 39 C CYS A 3 -8.539 -0.782 -4.658 1.00 0.00 C ATOM 40 O CYS A 3 -9.469 -1.232 -4.018 1.00 0.00 O ATOM 41 CB CYS A 3 -7.487 1.470 -4.405 1.00 0.00 C ATOM 42 SG CYS A 3 -6.099 1.820 -5.510 1.00 0.00 S ATOM 0 H CYS A 3 -10.119 1.434 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.323 0.679 -6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.917 2.401 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.142 0.913 -3.534 1.00 0.00 H new ATOM 47 N HIS A 4 -7.498 -1.514 -4.942 1.00 0.00 N ATOM 48 CA HIS A 4 -7.434 -2.928 -4.480 1.00 0.00 C ATOM 49 C HIS A 4 -6.193 -3.122 -3.603 1.00 0.00 C ATOM 50 O HIS A 4 -5.104 -2.716 -3.956 1.00 0.00 O ATOM 51 CB HIS A 4 -7.345 -3.862 -5.692 1.00 0.00 C ATOM 52 CG HIS A 4 -8.352 -3.449 -6.730 1.00 0.00 C ATOM 53 ND1 HIS A 4 -9.541 -2.767 -6.637 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.190 -3.744 -8.074 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -10.108 -2.641 -7.902 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -9.254 -3.248 -8.731 1.00 0.00 N flip ATOM 0 H HIS A 4 -6.689 -1.194 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.331 -3.160 -3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.341 -3.830 -6.114 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.529 -4.891 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.360 -4.276 -8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -11.039 -2.157 -8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.392 -3.326 -9.739 1.00 0.00 H new ATOM 64 N ASN A 5 -6.345 -3.747 -2.468 1.00 0.00 N ATOM 65 CA ASN A 5 -5.171 -3.975 -1.580 1.00 0.00 C ATOM 66 C ASN A 5 -4.668 -5.406 -1.789 1.00 0.00 C ATOM 67 O ASN A 5 -5.217 -6.347 -1.258 1.00 0.00 O ATOM 68 CB ASN A 5 -5.591 -3.792 -0.119 1.00 0.00 C ATOM 69 CG ASN A 5 -6.302 -2.447 0.046 1.00 0.00 C ATOM 70 OD1 ASN A 5 -6.617 -1.790 -0.926 1.00 0.00 O ATOM 71 ND2 ASN A 5 -6.568 -2.009 1.246 1.00 0.00 N ATOM 0 H ASN A 5 -7.232 -4.110 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.381 -3.263 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.252 -4.604 0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.716 -3.834 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.041 -1.114 1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.303 -2.562 2.061 1.00 0.00 H new ATOM 78 N GLN A 6 -3.639 -5.580 -2.571 1.00 0.00 N ATOM 79 CA GLN A 6 -3.120 -6.957 -2.819 1.00 0.00 C ATOM 80 C GLN A 6 -1.996 -7.276 -1.833 1.00 0.00 C ATOM 81 O GLN A 6 -1.804 -6.591 -0.848 1.00 0.00 O ATOM 82 CB GLN A 6 -2.579 -7.051 -4.248 1.00 0.00 C ATOM 83 CG GLN A 6 -3.348 -6.092 -5.159 1.00 0.00 C ATOM 84 CD GLN A 6 -2.932 -6.325 -6.613 1.00 0.00 C ATOM 85 OE1 GLN A 6 -2.775 -7.545 -7.047 1.00 0.00 O flip ATOM 86 NE2 GLN A 6 -2.748 -5.386 -7.362 1.00 0.00 N flip ATOM 0 H GLN A 6 -3.136 -4.832 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.932 -7.672 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.517 -6.806 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.675 -8.072 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.421 -6.249 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.145 -5.060 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.871 -4.432 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.471 -5.552 -8.330 1.00 0.00 H new ATOM 95 N GLN A 7 -1.255 -8.320 -2.093 1.00 0.00 N ATOM 96 CA GLN A 7 -0.144 -8.698 -1.174 1.00 0.00 C ATOM 97 C GLN A 7 1.047 -9.229 -1.982 1.00 0.00 C ATOM 98 O GLN A 7 1.274 -10.419 -2.059 1.00 0.00 O ATOM 99 CB GLN A 7 -0.629 -9.785 -0.213 1.00 0.00 C ATOM 100 CG GLN A 7 -0.497 -9.292 1.229 1.00 0.00 C ATOM 101 CD GLN A 7 0.634 -10.050 1.927 1.00 0.00 C ATOM 102 OE1 GLN A 7 0.474 -11.196 2.297 1.00 0.00 O ATOM 103 NE2 GLN A 7 1.779 -9.455 2.123 1.00 0.00 N ATOM 0 H GLN A 7 -1.372 -8.928 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 7 0.169 -7.819 -0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.667 -10.038 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.044 -10.694 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.293 -8.221 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.435 -9.444 1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.913 -8.493 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.539 -9.952 2.587 1.00 0.00 H new ATOM 112 N SER A 8 1.814 -8.353 -2.575 1.00 0.00 N ATOM 113 CA SER A 8 2.998 -8.805 -3.366 1.00 0.00 C ATOM 114 C SER A 8 2.547 -9.360 -4.720 1.00 0.00 C ATOM 115 O SER A 8 3.248 -10.130 -5.347 1.00 0.00 O ATOM 116 CB SER A 8 3.747 -9.891 -2.590 1.00 0.00 C ATOM 117 OG SER A 8 3.409 -11.168 -3.116 1.00 0.00 O ATOM 0 H SER A 8 1.672 -7.343 -2.546 1.00 0.00 H new ATOM 0 HA SER A 8 3.659 -7.955 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.822 -9.729 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.488 -9.841 -1.532 1.00 0.00 H new ATOM 0 HG SER A 8 3.734 -11.239 -4.038 1.00 0.00 H new ATOM 123 N SER A 9 1.391 -8.973 -5.182 1.00 0.00 N ATOM 124 CA SER A 9 0.912 -9.475 -6.501 1.00 0.00 C ATOM 125 C SER A 9 0.507 -10.947 -6.382 1.00 0.00 C ATOM 126 O SER A 9 0.872 -11.768 -7.201 1.00 0.00 O ATOM 127 CB SER A 9 2.032 -9.335 -7.533 1.00 0.00 C ATOM 128 OG SER A 9 1.477 -9.397 -8.840 1.00 0.00 O ATOM 0 H SER A 9 0.758 -8.332 -4.705 1.00 0.00 H new ATOM 0 HA SER A 9 0.047 -8.891 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.556 -8.389 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.767 -10.129 -7.399 1.00 0.00 H new ATOM 0 HG SER A 9 1.015 -10.253 -8.959 1.00 0.00 H new ATOM 134 N GLN A 10 -0.250 -11.284 -5.375 1.00 0.00 N ATOM 135 CA GLN A 10 -0.687 -12.700 -5.208 1.00 0.00 C ATOM 136 C GLN A 10 -2.212 -12.738 -5.108 1.00 0.00 C ATOM 137 O GLN A 10 -2.884 -13.361 -5.906 1.00 0.00 O ATOM 138 CB GLN A 10 -0.077 -13.275 -3.927 1.00 0.00 C ATOM 139 CG GLN A 10 1.443 -13.120 -3.972 1.00 0.00 C ATOM 140 CD GLN A 10 1.984 -13.760 -5.252 1.00 0.00 C ATOM 141 OE1 GLN A 10 1.328 -14.745 -5.802 1.00 0.00 O flip ATOM 142 NE2 GLN A 10 3.013 -13.360 -5.757 1.00 0.00 N flip ATOM 0 H GLN A 10 -0.586 -10.640 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.357 -13.293 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.480 -12.759 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.343 -14.327 -3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.713 -12.064 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.893 -13.592 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.526 -12.590 -5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.364 -13.794 -6.611 1.00 0.00 H new ATOM 151 N THR A 11 -2.759 -12.062 -4.138 1.00 0.00 N ATOM 152 CA THR A 11 -4.238 -12.037 -3.983 1.00 0.00 C ATOM 153 C THR A 11 -4.694 -10.578 -3.874 1.00 0.00 C ATOM 154 O THR A 11 -4.549 -9.964 -2.836 1.00 0.00 O ATOM 155 CB THR A 11 -4.633 -12.793 -2.712 1.00 0.00 C ATOM 156 OG1 THR A 11 -3.735 -13.875 -2.509 1.00 0.00 O ATOM 157 CG2 THR A 11 -6.058 -13.329 -2.859 1.00 0.00 C ATOM 0 H THR A 11 -2.242 -11.523 -3.443 1.00 0.00 H new ATOM 0 HA THR A 11 -4.711 -12.513 -4.842 1.00 0.00 H new ATOM 0 HB THR A 11 -4.588 -12.118 -1.857 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.985 -14.359 -1.695 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.339 -13.867 -1.954 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.745 -12.497 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.106 -14.005 -3.713 1.00 0.00 H new ATOM 165 N PRO A 12 -5.219 -10.057 -4.955 1.00 0.00 N ATOM 166 CA PRO A 12 -5.688 -8.661 -5.011 1.00 0.00 C ATOM 167 C PRO A 12 -7.017 -8.506 -4.268 1.00 0.00 C ATOM 168 O PRO A 12 -7.999 -9.145 -4.587 1.00 0.00 O ATOM 169 CB PRO A 12 -5.856 -8.396 -6.509 1.00 0.00 C ATOM 170 CG PRO A 12 -6.017 -9.779 -7.182 1.00 0.00 C ATOM 171 CD PRO A 12 -5.400 -10.808 -6.216 1.00 0.00 C ATOM 0 HA PRO A 12 -5.001 -7.960 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.727 -7.769 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.991 -7.868 -6.909 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.068 -10.001 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.512 -9.802 -8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.056 -11.667 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.451 -11.189 -6.593 1.00 0.00 H new ATOM 179 N THR A 13 -7.052 -7.654 -3.278 1.00 0.00 N ATOM 180 CA THR A 13 -8.314 -7.450 -2.513 1.00 0.00 C ATOM 181 C THR A 13 -8.990 -6.159 -2.988 1.00 0.00 C ATOM 182 O THR A 13 -8.345 -5.269 -3.503 1.00 0.00 O ATOM 183 CB THR A 13 -7.989 -7.343 -1.021 1.00 0.00 C ATOM 184 OG1 THR A 13 -6.754 -7.993 -0.760 1.00 0.00 O ATOM 185 CG2 THR A 13 -9.092 -8.012 -0.207 1.00 0.00 C ATOM 0 H THR A 13 -6.260 -7.091 -2.967 1.00 0.00 H new ATOM 0 HA THR A 13 -8.986 -8.292 -2.677 1.00 0.00 H new ATOM 0 HB THR A 13 -7.918 -6.292 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.052 -7.322 -0.629 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.858 -7.935 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.043 -7.517 -0.407 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.164 -9.063 -0.487 1.00 0.00 H new ATOM 193 N THR A 14 -10.280 -6.047 -2.825 1.00 0.00 N ATOM 194 CA THR A 14 -10.977 -4.809 -3.277 1.00 0.00 C ATOM 195 C THR A 14 -11.469 -4.017 -2.063 1.00 0.00 C ATOM 196 O THR A 14 -12.244 -4.504 -1.264 1.00 0.00 O ATOM 197 CB THR A 14 -12.173 -5.183 -4.158 1.00 0.00 C ATOM 198 OG1 THR A 14 -12.681 -6.446 -3.753 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.730 -5.252 -5.620 1.00 0.00 C ATOM 0 H THR A 14 -10.879 -6.755 -2.401 1.00 0.00 H new ATOM 0 HA THR A 14 -10.280 -4.197 -3.849 1.00 0.00 H new ATOM 0 HB THR A 14 -12.952 -4.428 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.447 -6.686 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.582 -5.518 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.342 -4.281 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.950 -6.006 -5.729 1.00 0.00 H new ATOM 207 N THR A 15 -11.027 -2.797 -1.922 1.00 0.00 N ATOM 208 CA THR A 15 -11.473 -1.973 -0.762 1.00 0.00 C ATOM 209 C THR A 15 -11.866 -0.579 -1.253 1.00 0.00 C ATOM 210 O THR A 15 -11.130 0.068 -1.972 1.00 0.00 O ATOM 211 CB THR A 15 -10.330 -1.854 0.250 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.113 -1.611 -0.439 1.00 0.00 O ATOM 213 CG2 THR A 15 -10.216 -3.153 1.050 1.00 0.00 C ATOM 0 H THR A 15 -10.377 -2.336 -2.559 1.00 0.00 H new ATOM 0 HA THR A 15 -12.331 -2.448 -0.286 1.00 0.00 H new ATOM 0 HB THR A 15 -10.533 -1.028 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.270 -0.970 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.402 -3.067 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.151 -3.337 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.014 -3.982 0.371 1.00 0.00 H new ATOM 221 N GLY A 16 -13.022 -0.107 -0.872 1.00 0.00 N ATOM 222 CA GLY A 16 -13.458 1.246 -1.320 1.00 0.00 C ATOM 223 C GLY A 16 -12.713 2.311 -0.514 1.00 0.00 C ATOM 224 O GLY A 16 -12.964 2.504 0.660 1.00 0.00 O ATOM 0 H GLY A 16 -13.683 -0.599 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.256 1.372 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.534 1.357 -1.184 1.00 0.00 H new ATOM 228 N CYS A 17 -11.799 3.007 -1.132 1.00 0.00 N ATOM 229 CA CYS A 17 -11.039 4.057 -0.399 1.00 0.00 C ATOM 230 C CYS A 17 -11.948 5.262 -0.144 1.00 0.00 C ATOM 231 O CYS A 17 -12.068 6.147 -0.967 1.00 0.00 O ATOM 232 CB CYS A 17 -9.834 4.494 -1.234 1.00 0.00 C ATOM 233 SG CYS A 17 -8.872 3.038 -1.710 1.00 0.00 S ATOM 0 H CYS A 17 -11.546 2.894 -2.114 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.693 3.655 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.168 5.029 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.212 5.183 -0.662 1.00 0.00 H new ATOM 238 N SER A 18 -12.588 5.302 0.991 1.00 0.00 N ATOM 239 CA SER A 18 -13.488 6.449 1.299 1.00 0.00 C ATOM 240 C SER A 18 -13.214 6.948 2.720 1.00 0.00 C ATOM 241 O SER A 18 -13.880 7.835 3.215 1.00 0.00 O ATOM 242 CB SER A 18 -14.944 5.998 1.188 1.00 0.00 C ATOM 243 OG SER A 18 -15.297 5.879 -0.183 1.00 0.00 O ATOM 0 H SER A 18 -12.527 4.590 1.719 1.00 0.00 H new ATOM 0 HA SER A 18 -13.303 7.256 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 18 -15.080 5.042 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.598 6.717 1.682 1.00 0.00 H new ATOM 0 HG SER A 18 -16.230 5.588 -0.257 1.00 0.00 H new ATOM 249 N GLY A 19 -12.238 6.386 3.380 1.00 0.00 N ATOM 250 CA GLY A 19 -11.923 6.830 4.767 1.00 0.00 C ATOM 251 C GLY A 19 -11.574 8.319 4.759 1.00 0.00 C ATOM 252 O GLY A 19 -11.702 9.001 5.757 1.00 0.00 O ATOM 0 H GLY A 19 -11.645 5.639 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.776 6.649 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.089 6.252 5.165 1.00 0.00 H new ATOM 256 N GLY A 20 -11.134 8.829 3.642 1.00 0.00 N ATOM 257 CA GLY A 20 -10.777 10.274 3.574 1.00 0.00 C ATOM 258 C GLY A 20 -9.596 10.464 2.621 1.00 0.00 C ATOM 259 O GLY A 20 -8.702 11.246 2.874 1.00 0.00 O ATOM 0 H GLY A 20 -11.006 8.308 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.633 10.855 3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.520 10.643 4.567 1.00 0.00 H new ATOM 263 N GLU A 21 -9.588 9.756 1.525 1.00 0.00 N ATOM 264 CA GLU A 21 -8.467 9.897 0.554 1.00 0.00 C ATOM 265 C GLU A 21 -9.037 10.004 -0.861 1.00 0.00 C ATOM 266 O GLU A 21 -10.218 10.219 -1.048 1.00 0.00 O ATOM 267 CB GLU A 21 -7.550 8.676 0.646 1.00 0.00 C ATOM 268 CG GLU A 21 -8.339 7.415 0.290 1.00 0.00 C ATOM 269 CD GLU A 21 -8.432 7.282 -1.231 1.00 0.00 C ATOM 270 OE1 GLU A 21 -7.393 7.172 -1.861 1.00 0.00 O ATOM 271 OE2 GLU A 21 -9.541 7.293 -1.740 1.00 0.00 O ATOM 0 H GLU A 21 -10.310 9.086 1.260 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.894 10.794 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.704 8.792 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.142 8.590 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.851 6.537 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.338 7.464 0.723 1.00 0.00 H new ATOM 278 N THR A 22 -8.209 9.861 -1.858 1.00 0.00 N ATOM 279 CA THR A 22 -8.717 9.961 -3.255 1.00 0.00 C ATOM 280 C THR A 22 -7.740 9.296 -4.232 1.00 0.00 C ATOM 281 O THR A 22 -8.140 8.777 -5.256 1.00 0.00 O ATOM 282 CB THR A 22 -8.881 11.435 -3.627 1.00 0.00 C ATOM 283 OG1 THR A 22 -7.868 12.199 -2.986 1.00 0.00 O ATOM 284 CG2 THR A 22 -10.258 11.926 -3.176 1.00 0.00 C ATOM 0 H THR A 22 -7.209 9.680 -1.768 1.00 0.00 H new ATOM 0 HA THR A 22 -9.678 9.450 -3.318 1.00 0.00 H new ATOM 0 HB THR A 22 -8.793 11.550 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.971 13.144 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.374 12.977 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.033 11.339 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.349 11.812 -2.096 1.00 0.00 H new ATOM 292 N ASN A 23 -6.465 9.320 -3.945 1.00 0.00 N ATOM 293 CA ASN A 23 -5.490 8.700 -4.887 1.00 0.00 C ATOM 294 C ASN A 23 -5.044 7.327 -4.377 1.00 0.00 C ATOM 295 O ASN A 23 -5.351 6.935 -3.269 1.00 0.00 O ATOM 296 CB ASN A 23 -4.268 9.612 -5.019 1.00 0.00 C ATOM 297 CG ASN A 23 -4.719 11.027 -5.387 1.00 0.00 C ATOM 298 OD1 ASN A 23 -5.803 11.217 -5.903 1.00 0.00 O ATOM 299 ND2 ASN A 23 -3.928 12.036 -5.141 1.00 0.00 N ATOM 0 H ASN A 23 -6.060 9.738 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.971 8.573 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.712 9.629 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.594 9.225 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.220 12.983 -5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.018 11.877 -4.708 1.00 0.00 H new ATOM 306 N CYS A 24 -4.313 6.596 -5.181 1.00 0.00 N ATOM 307 CA CYS A 24 -3.836 5.252 -4.750 1.00 0.00 C ATOM 308 C CYS A 24 -2.311 5.278 -4.647 1.00 0.00 C ATOM 309 O CYS A 24 -1.641 5.841 -5.479 1.00 0.00 O ATOM 310 CB CYS A 24 -4.260 4.198 -5.774 1.00 0.00 C ATOM 311 SG CYS A 24 -6.021 3.836 -5.579 1.00 0.00 S ATOM 0 H CYS A 24 -4.027 6.875 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.271 5.002 -3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.062 4.557 -6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.674 3.289 -5.639 1.00 0.00 H new ATOM 316 N TYR A 25 -1.754 4.685 -3.631 1.00 0.00 N ATOM 317 CA TYR A 25 -0.270 4.709 -3.491 1.00 0.00 C ATOM 318 C TYR A 25 0.302 3.304 -3.711 1.00 0.00 C ATOM 319 O TYR A 25 -0.403 2.371 -4.028 1.00 0.00 O ATOM 320 CB TYR A 25 0.083 5.172 -2.069 1.00 0.00 C ATOM 321 CG TYR A 25 1.268 6.119 -2.069 1.00 0.00 C ATOM 322 CD1 TYR A 25 2.081 6.259 -3.202 1.00 0.00 C ATOM 323 CD2 TYR A 25 1.555 6.857 -0.913 1.00 0.00 C ATOM 324 CE1 TYR A 25 3.175 7.131 -3.178 1.00 0.00 C ATOM 325 CE2 TYR A 25 2.649 7.730 -0.892 1.00 0.00 C ATOM 326 CZ TYR A 25 3.459 7.867 -2.024 1.00 0.00 C ATOM 327 OH TYR A 25 4.539 8.726 -2.001 1.00 0.00 O ATOM 0 H TYR A 25 -2.256 4.188 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 25 0.152 5.388 -4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.779 5.667 -1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.309 4.305 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.863 5.693 -4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.932 6.752 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.801 7.236 -4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.868 8.299 -0.000 1.00 0.00 H new ATOM 0 HH TYR A 25 4.700 9.073 -2.903 1.00 0.00 H new ATOM 337 N LYS A 26 1.583 3.161 -3.527 1.00 0.00 N ATOM 338 CA LYS A 26 2.243 1.835 -3.682 1.00 0.00 C ATOM 339 C LYS A 26 3.300 1.734 -2.581 1.00 0.00 C ATOM 340 O LYS A 26 4.234 2.506 -2.559 1.00 0.00 O ATOM 341 CB LYS A 26 2.912 1.747 -5.056 1.00 0.00 C ATOM 342 CG LYS A 26 3.617 0.396 -5.199 1.00 0.00 C ATOM 343 CD LYS A 26 3.264 -0.221 -6.552 1.00 0.00 C ATOM 344 CE LYS A 26 4.345 0.136 -7.575 1.00 0.00 C ATOM 345 NZ LYS A 26 4.757 -1.094 -8.309 1.00 0.00 N ATOM 0 H LYS A 26 2.213 3.921 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 26 1.519 1.024 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.167 1.865 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.631 2.558 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.696 0.526 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.314 -0.272 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.180 -1.304 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.294 0.146 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.967 0.881 -8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.205 0.578 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.492 -0.853 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.133 -1.791 -7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.934 -1.497 -8.800 1.00 0.00 H new ATOM 359 N LYS A 27 3.162 0.834 -1.641 1.00 0.00 N ATOM 360 CA LYS A 27 4.183 0.786 -0.554 1.00 0.00 C ATOM 361 C LYS A 27 4.958 -0.530 -0.583 1.00 0.00 C ATOM 362 O LYS A 27 4.395 -1.595 -0.716 1.00 0.00 O ATOM 363 CB LYS A 27 3.487 0.940 0.798 1.00 0.00 C ATOM 364 CG LYS A 27 4.061 2.157 1.528 1.00 0.00 C ATOM 365 CD LYS A 27 2.937 2.897 2.254 1.00 0.00 C ATOM 366 CE LYS A 27 2.990 4.385 1.896 1.00 0.00 C ATOM 367 NZ LYS A 27 2.141 5.154 2.848 1.00 0.00 N ATOM 0 H LYS A 27 2.409 0.149 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 27 4.890 1.601 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.413 1.061 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.630 0.041 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.822 1.840 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.549 2.824 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.971 2.479 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.039 2.768 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.018 4.744 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.640 4.537 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.176 6.165 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.159 4.817 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.494 5.018 3.817 1.00 0.00 H new ATOM 381 N ARG A 28 6.257 -0.458 -0.438 1.00 0.00 N ATOM 382 CA ARG A 28 7.075 -1.703 -0.427 1.00 0.00 C ATOM 383 C ARG A 28 8.427 -1.420 0.215 1.00 0.00 C ATOM 384 O ARG A 28 8.976 -0.342 0.100 1.00 0.00 O ATOM 385 CB ARG A 28 7.263 -2.228 -1.851 1.00 0.00 C ATOM 386 CG ARG A 28 8.426 -3.225 -1.896 1.00 0.00 C ATOM 387 CD ARG A 28 8.267 -4.144 -3.109 1.00 0.00 C ATOM 388 NE ARG A 28 9.124 -5.350 -2.935 1.00 0.00 N ATOM 389 CZ ARG A 28 9.406 -6.105 -3.963 1.00 0.00 C ATOM 390 NH1 ARG A 28 10.208 -5.664 -4.895 1.00 0.00 N ATOM 391 NH2 ARG A 28 8.889 -7.299 -4.058 1.00 0.00 N ATOM 0 H ARG A 28 6.783 0.409 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 28 6.556 -2.465 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.347 -2.710 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.459 -1.398 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.374 -2.691 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.448 -3.815 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.224 -4.439 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.547 -3.614 -4.019 1.00 0.00 H new ATOM 0 HE ARG A 28 9.491 -5.586 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.613 -4.731 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.429 -6.253 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.264 -7.644 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.110 -7.888 -4.861 1.00 0.00 H new ATOM 405 N TRP A 29 8.950 -2.384 0.915 1.00 0.00 N ATOM 406 CA TRP A 29 10.250 -2.184 1.605 1.00 0.00 C ATOM 407 C TRP A 29 10.845 -3.547 1.973 1.00 0.00 C ATOM 408 O TRP A 29 10.406 -4.578 1.499 1.00 0.00 O ATOM 409 CB TRP A 29 10.000 -1.370 2.876 1.00 0.00 C ATOM 410 CG TRP A 29 8.586 -1.586 3.327 1.00 0.00 C ATOM 411 CD1 TRP A 29 8.013 -2.793 3.514 1.00 0.00 C ATOM 412 CD2 TRP A 29 7.560 -0.599 3.613 1.00 0.00 C ATOM 413 NE1 TRP A 29 6.708 -2.609 3.935 1.00 0.00 N ATOM 414 CE2 TRP A 29 6.382 -1.271 4.010 1.00 0.00 C ATOM 415 CE3 TRP A 29 7.545 0.800 3.578 1.00 0.00 C ATOM 416 CZ2 TRP A 29 5.228 -0.572 4.363 1.00 0.00 C ATOM 417 CZ3 TRP A 29 6.386 1.510 3.929 1.00 0.00 C ATOM 418 CH2 TRP A 29 5.230 0.825 4.324 1.00 0.00 C ATOM 0 H TRP A 29 8.531 -3.306 1.039 1.00 0.00 H new ATOM 0 HA TRP A 29 10.947 -1.656 0.955 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.695 -1.673 3.659 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.176 -0.311 2.685 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.495 -3.747 3.360 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.066 -3.369 4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.432 1.338 3.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.339 -1.106 4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.386 2.589 3.894 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.342 1.375 4.598 1.00 0.00 H new ATOM 429 N ARG A 30 11.834 -3.562 2.827 1.00 0.00 N ATOM 430 CA ARG A 30 12.450 -4.855 3.236 1.00 0.00 C ATOM 431 C ARG A 30 13.006 -4.727 4.657 1.00 0.00 C ATOM 432 O ARG A 30 14.198 -4.600 4.856 1.00 0.00 O ATOM 433 CB ARG A 30 13.587 -5.208 2.275 1.00 0.00 C ATOM 434 CG ARG A 30 14.427 -3.959 1.996 1.00 0.00 C ATOM 435 CD ARG A 30 15.887 -4.233 2.362 1.00 0.00 C ATOM 436 NE ARG A 30 16.780 -3.457 1.456 1.00 0.00 N ATOM 437 CZ ARG A 30 17.914 -3.969 1.062 1.00 0.00 C ATOM 438 NH1 ARG A 30 18.438 -4.974 1.709 1.00 0.00 N ATOM 439 NH2 ARG A 30 18.525 -3.475 0.020 1.00 0.00 N ATOM 0 H ARG A 30 12.241 -2.733 3.259 1.00 0.00 H new ATOM 0 HA ARG A 30 11.695 -5.641 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.212 -5.990 2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 30 13.181 -5.601 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.350 -3.684 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 30 14.048 -3.116 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.072 -3.953 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.101 -5.298 2.276 1.00 0.00 H new ATOM 0 HE ARG A 30 16.505 -2.526 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.961 -5.360 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.324 -5.373 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.116 -2.689 -0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.411 -3.875 -0.288 1.00 0.00 H new ATOM 453 N ASP A 31 12.154 -4.759 5.648 1.00 0.00 N ATOM 454 CA ASP A 31 12.643 -4.636 7.053 1.00 0.00 C ATOM 455 C ASP A 31 12.014 -5.734 7.915 1.00 0.00 C ATOM 456 O ASP A 31 10.881 -6.120 7.708 1.00 0.00 O ATOM 457 CB ASP A 31 12.255 -3.268 7.612 1.00 0.00 C ATOM 458 CG ASP A 31 13.514 -2.419 7.796 1.00 0.00 C ATOM 459 OD1 ASP A 31 14.188 -2.605 8.797 1.00 0.00 O ATOM 460 OD2 ASP A 31 13.785 -1.601 6.934 1.00 0.00 O ATOM 0 H ASP A 31 11.145 -4.865 5.546 1.00 0.00 H new ATOM 0 HA ASP A 31 13.728 -4.741 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.562 -2.769 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.739 -3.385 8.565 1.00 0.00 H new ATOM 465 N HIS A 32 12.750 -6.232 8.877 1.00 0.00 N ATOM 466 CA HIS A 32 12.224 -7.310 9.770 1.00 0.00 C ATOM 467 C HIS A 32 12.425 -8.669 9.096 1.00 0.00 C ATOM 468 O HIS A 32 13.030 -9.565 9.652 1.00 0.00 O ATOM 469 CB HIS A 32 10.735 -7.088 10.048 1.00 0.00 C ATOM 470 CG HIS A 32 10.325 -7.893 11.251 1.00 0.00 C ATOM 471 ND1 HIS A 32 10.205 -7.329 12.512 1.00 0.00 N ATOM 472 CD2 HIS A 32 10.005 -9.219 11.401 1.00 0.00 C ATOM 473 CE1 HIS A 32 9.827 -8.304 13.358 1.00 0.00 C ATOM 474 NE2 HIS A 32 9.690 -9.478 12.732 1.00 0.00 N ATOM 0 H HIS A 32 13.703 -5.934 9.084 1.00 0.00 H new ATOM 0 HA HIS A 32 12.765 -7.285 10.716 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.540 -6.030 10.221 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.144 -7.383 9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.999 -9.951 10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.655 -8.157 14.414 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.414 -10.371 13.142 1.00 0.00 H new ATOM 482 N ARG A 33 11.930 -8.828 7.901 1.00 0.00 N ATOM 483 CA ARG A 33 12.098 -10.124 7.185 1.00 0.00 C ATOM 484 C ARG A 33 12.942 -9.896 5.931 1.00 0.00 C ATOM 485 O ARG A 33 13.700 -10.749 5.514 1.00 0.00 O ATOM 486 CB ARG A 33 10.728 -10.690 6.783 1.00 0.00 C ATOM 487 CG ARG A 33 9.651 -9.604 6.892 1.00 0.00 C ATOM 488 CD ARG A 33 8.365 -10.090 6.221 1.00 0.00 C ATOM 489 NE ARG A 33 7.366 -10.449 7.266 1.00 0.00 N ATOM 490 CZ ARG A 33 7.317 -11.670 7.727 1.00 0.00 C ATOM 491 NH1 ARG A 33 7.159 -12.670 6.905 1.00 0.00 N ATOM 492 NH2 ARG A 33 7.424 -11.890 9.009 1.00 0.00 N ATOM 0 H ARG A 33 11.414 -8.114 7.387 1.00 0.00 H new ATOM 0 HA ARG A 33 12.594 -10.837 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.769 -11.070 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.472 -11.532 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.461 -9.370 7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.997 -8.686 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.964 -9.312 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.575 -10.954 5.591 1.00 0.00 H new ATOM 0 HE ARG A 33 6.721 -9.743 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.074 -12.498 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.121 -13.624 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.546 -11.108 9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.386 -12.844 9.368 1.00 0.00 H new ATOM 506 N GLY A 34 12.821 -8.744 5.329 1.00 0.00 N ATOM 507 CA GLY A 34 13.621 -8.456 4.104 1.00 0.00 C ATOM 508 C GLY A 34 12.692 -8.358 2.892 1.00 0.00 C ATOM 509 O GLY A 34 13.128 -8.424 1.760 1.00 0.00 O ATOM 0 H GLY A 34 12.204 -7.991 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.172 -7.524 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.358 -9.243 3.946 1.00 0.00 H new ATOM 513 N TYR A 35 11.415 -8.200 3.115 1.00 0.00 N ATOM 514 CA TYR A 35 10.470 -8.098 1.966 1.00 0.00 C ATOM 515 C TYR A 35 9.041 -7.903 2.480 1.00 0.00 C ATOM 516 O TYR A 35 8.496 -8.748 3.163 1.00 0.00 O ATOM 517 CB TYR A 35 10.542 -9.380 1.133 1.00 0.00 C ATOM 518 CG TYR A 35 10.225 -10.569 2.008 1.00 0.00 C ATOM 519 CD1 TYR A 35 11.203 -11.090 2.862 1.00 0.00 C ATOM 520 CD2 TYR A 35 8.952 -11.152 1.963 1.00 0.00 C ATOM 521 CE1 TYR A 35 10.910 -12.193 3.673 1.00 0.00 C ATOM 522 CE2 TYR A 35 8.658 -12.255 2.774 1.00 0.00 C ATOM 523 CZ TYR A 35 9.637 -12.776 3.628 1.00 0.00 C ATOM 524 OH TYR A 35 9.349 -13.864 4.427 1.00 0.00 O ATOM 0 H TYR A 35 10.987 -8.137 4.039 1.00 0.00 H new ATOM 0 HA TYR A 35 10.747 -7.243 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.837 -9.327 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.536 -9.489 0.699 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.185 -10.641 2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.197 -10.751 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.665 -12.594 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.676 -12.704 2.741 1.00 0.00 H new ATOM 0 HH TYR A 35 8.423 -14.145 4.275 1.00 0.00 H new ATOM 534 N ARG A 36 8.430 -6.797 2.150 1.00 0.00 N ATOM 535 CA ARG A 36 7.032 -6.549 2.611 1.00 0.00 C ATOM 536 C ARG A 36 6.394 -5.482 1.718 1.00 0.00 C ATOM 537 O ARG A 36 6.833 -4.350 1.678 1.00 0.00 O ATOM 538 CB ARG A 36 7.050 -6.064 4.064 1.00 0.00 C ATOM 539 CG ARG A 36 5.616 -5.967 4.591 1.00 0.00 C ATOM 540 CD ARG A 36 5.487 -6.797 5.870 1.00 0.00 C ATOM 541 NE ARG A 36 4.685 -6.041 6.874 1.00 0.00 N ATOM 542 CZ ARG A 36 4.704 -6.404 8.128 1.00 0.00 C ATOM 543 NH1 ARG A 36 4.943 -7.647 8.443 1.00 0.00 N ATOM 544 NH2 ARG A 36 4.486 -5.523 9.065 1.00 0.00 N ATOM 0 H ARG A 36 8.838 -6.055 1.582 1.00 0.00 H new ATOM 0 HA ARG A 36 6.454 -7.471 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.629 -6.752 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.538 -5.091 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.360 -4.927 4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.915 -6.328 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.008 -7.751 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.475 -7.021 6.272 1.00 0.00 H new ATOM 0 HE ARG A 36 4.123 -5.242 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.115 -8.335 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.958 -7.931 9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.301 -4.551 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.501 -5.806 10.045 1.00 0.00 H new ATOM 558 N THR A 37 5.367 -5.834 0.992 1.00 0.00 N ATOM 559 CA THR A 37 4.715 -4.838 0.093 1.00 0.00 C ATOM 560 C THR A 37 3.212 -4.784 0.377 1.00 0.00 C ATOM 561 O THR A 37 2.551 -5.801 0.456 1.00 0.00 O ATOM 562 CB THR A 37 4.935 -5.257 -1.362 1.00 0.00 C ATOM 563 OG1 THR A 37 3.985 -6.253 -1.713 1.00 0.00 O ATOM 564 CG2 THR A 37 6.350 -5.817 -1.525 1.00 0.00 C ATOM 0 H THR A 37 4.952 -6.766 0.982 1.00 0.00 H new ATOM 0 HA THR A 37 5.150 -3.854 0.270 1.00 0.00 H new ATOM 0 HB THR A 37 4.813 -4.392 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.498 -6.538 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.506 -6.115 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.078 -5.052 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.476 -6.683 -0.875 1.00 0.00 H new ATOM 572 N GLU A 38 2.664 -3.607 0.523 1.00 0.00 N ATOM 573 CA GLU A 38 1.203 -3.500 0.792 1.00 0.00 C ATOM 574 C GLU A 38 0.644 -2.212 0.176 1.00 0.00 C ATOM 575 O GLU A 38 1.377 -1.332 -0.262 1.00 0.00 O ATOM 576 CB GLU A 38 0.954 -3.492 2.302 1.00 0.00 C ATOM 577 CG GLU A 38 2.114 -2.795 3.013 1.00 0.00 C ATOM 578 CD GLU A 38 1.813 -2.716 4.511 1.00 0.00 C ATOM 579 OE1 GLU A 38 0.790 -3.243 4.917 1.00 0.00 O ATOM 580 OE2 GLU A 38 2.608 -2.132 5.226 1.00 0.00 O ATOM 0 H GLU A 38 3.163 -2.719 0.468 1.00 0.00 H new ATOM 0 HA GLU A 38 0.700 -4.357 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.018 -2.978 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.851 -4.513 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.041 -3.343 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.257 -1.794 2.606 1.00 0.00 H new ATOM 587 N ARG A 39 -0.659 -2.104 0.137 1.00 0.00 N ATOM 588 CA ARG A 39 -1.297 -0.892 -0.442 1.00 0.00 C ATOM 589 C ARG A 39 -2.746 -0.785 0.043 1.00 0.00 C ATOM 590 O ARG A 39 -3.516 -1.718 -0.065 1.00 0.00 O ATOM 591 CB ARG A 39 -1.288 -0.993 -1.967 1.00 0.00 C ATOM 592 CG ARG A 39 -0.756 0.311 -2.554 1.00 0.00 C ATOM 593 CD ARG A 39 -1.461 1.495 -1.890 1.00 0.00 C ATOM 594 NE ARG A 39 -0.459 2.298 -1.138 1.00 0.00 N ATOM 595 CZ ARG A 39 -0.752 2.776 0.040 1.00 0.00 C ATOM 596 NH1 ARG A 39 -1.520 3.824 0.144 1.00 0.00 N ATOM 597 NH2 ARG A 39 -0.277 2.204 1.113 1.00 0.00 N ATOM 0 H ARG A 39 -1.309 -2.809 0.484 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.741 -0.010 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.665 -1.829 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.295 -1.188 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.320 0.380 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.923 0.332 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.949 2.113 -2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.240 1.139 -1.216 1.00 0.00 H new ATOM 0 HE ARG A 39 0.459 2.475 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.891 4.269 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.750 4.199 1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.323 1.383 1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.506 2.578 2.034 1.00 0.00 H new ATOM 611 N GLY A 40 -3.128 0.350 0.563 1.00 0.00 N ATOM 612 CA GLY A 40 -4.530 0.515 1.036 1.00 0.00 C ATOM 613 C GLY A 40 -4.967 1.970 0.837 1.00 0.00 C ATOM 614 O GLY A 40 -5.370 2.641 1.766 1.00 0.00 O ATOM 0 H GLY A 40 -2.530 1.168 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.192 -0.153 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.605 0.242 2.089 1.00 0.00 H new ATOM 618 N CYS A 41 -4.896 2.459 -0.372 1.00 0.00 N ATOM 619 CA CYS A 41 -5.315 3.866 -0.641 1.00 0.00 C ATOM 620 C CYS A 41 -4.267 4.839 -0.089 1.00 0.00 C ATOM 621 O CYS A 41 -3.781 4.681 1.012 1.00 0.00 O ATOM 622 CB CYS A 41 -6.658 4.132 0.038 1.00 0.00 C ATOM 623 SG CYS A 41 -7.710 2.665 -0.101 1.00 0.00 S ATOM 0 H CYS A 41 -4.565 1.943 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.409 4.012 -1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.503 4.383 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.148 4.988 -0.425 1.00 0.00 H new ATOM 628 N GLY A 42 -3.920 5.850 -0.846 1.00 0.00 N ATOM 629 CA GLY A 42 -2.910 6.835 -0.358 1.00 0.00 C ATOM 630 C GLY A 42 -2.194 7.485 -1.547 1.00 0.00 C ATOM 631 O GLY A 42 -2.638 7.399 -2.675 1.00 0.00 O ATOM 0 H GLY A 42 -4.292 6.034 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.398 7.600 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.185 6.336 0.285 1.00 0.00 H new ATOM 635 N CYS A 43 -1.081 8.129 -1.297 1.00 0.00 N ATOM 636 CA CYS A 43 -0.319 8.785 -2.401 1.00 0.00 C ATOM 637 C CYS A 43 0.639 9.835 -1.822 1.00 0.00 C ATOM 638 O CYS A 43 1.813 9.831 -2.131 1.00 0.00 O ATOM 639 CB CYS A 43 -1.288 9.462 -3.372 1.00 0.00 C ATOM 640 SG CYS A 43 -1.403 8.473 -4.884 1.00 0.00 S ATOM 0 H CYS A 43 -0.666 8.228 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 43 0.255 8.026 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.271 9.562 -2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.942 10.469 -3.607 1.00 0.00 H new ATOM 645 N PRO A 44 0.110 10.705 -0.999 1.00 0.00 N ATOM 646 CA PRO A 44 0.903 11.773 -0.364 1.00 0.00 C ATOM 647 C PRO A 44 1.712 11.213 0.811 1.00 0.00 C ATOM 648 O PRO A 44 1.174 10.593 1.707 1.00 0.00 O ATOM 649 CB PRO A 44 -0.158 12.767 0.120 1.00 0.00 C ATOM 650 CG PRO A 44 -1.478 11.971 0.247 1.00 0.00 C ATOM 651 CD PRO A 44 -1.319 10.709 -0.624 1.00 0.00 C ATOM 0 HA PRO A 44 1.629 12.229 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.126 13.202 1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.268 13.591 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.670 11.703 1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.325 12.569 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.589 9.808 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.961 10.749 -1.504 1.00 0.00 H new ATOM 659 N SER A 45 3.002 11.426 0.809 1.00 0.00 N ATOM 660 CA SER A 45 3.858 10.912 1.910 1.00 0.00 C ATOM 661 C SER A 45 5.297 11.008 1.439 1.00 0.00 C ATOM 662 O SER A 45 6.200 11.283 2.201 1.00 0.00 O ATOM 663 CB SER A 45 3.511 9.453 2.221 1.00 0.00 C ATOM 664 OG SER A 45 3.202 9.331 3.604 1.00 0.00 O ATOM 0 H SER A 45 3.501 11.940 0.082 1.00 0.00 H new ATOM 0 HA SER A 45 3.702 11.494 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.663 9.132 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.349 8.805 1.965 1.00 0.00 H new ATOM 0 HG SER A 45 2.977 8.399 3.808 1.00 0.00 H new ATOM 670 N VAL A 46 5.499 10.814 0.167 1.00 0.00 N ATOM 671 CA VAL A 46 6.865 10.923 -0.402 1.00 0.00 C ATOM 672 C VAL A 46 7.733 9.756 0.082 1.00 0.00 C ATOM 673 O VAL A 46 7.439 9.117 1.073 1.00 0.00 O ATOM 674 CB VAL A 46 7.437 12.287 0.016 1.00 0.00 C ATOM 675 CG1 VAL A 46 8.423 12.159 1.190 1.00 0.00 C ATOM 676 CG2 VAL A 46 8.160 12.918 -1.177 1.00 0.00 C ATOM 0 H VAL A 46 4.769 10.583 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 46 6.845 10.864 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 46 6.606 12.914 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.804 13.145 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.911 11.726 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.253 11.515 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.567 13.886 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.971 12.265 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.457 13.053 -1.999 1.00 0.00 H new ATOM 686 N LYS A 47 8.795 9.468 -0.622 1.00 0.00 N ATOM 687 CA LYS A 47 9.675 8.337 -0.218 1.00 0.00 C ATOM 688 C LYS A 47 11.092 8.849 0.053 1.00 0.00 C ATOM 689 O LYS A 47 11.349 10.036 0.048 1.00 0.00 O ATOM 690 CB LYS A 47 9.718 7.309 -1.351 1.00 0.00 C ATOM 691 CG LYS A 47 10.304 7.961 -2.606 1.00 0.00 C ATOM 692 CD LYS A 47 9.177 8.292 -3.588 1.00 0.00 C ATOM 693 CE LYS A 47 9.778 8.770 -4.913 1.00 0.00 C ATOM 694 NZ LYS A 47 8.791 9.628 -5.626 1.00 0.00 N ATOM 0 H LYS A 47 9.090 9.969 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 47 9.281 7.878 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.323 6.452 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.715 6.935 -1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.844 8.869 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.023 7.289 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.555 7.412 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.531 9.064 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.695 9.329 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.046 7.914 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.199 9.953 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.927 9.080 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.556 10.451 -5.035 1.00 0.00 H new ATOM 708 N ASN A 48 12.013 7.954 0.287 1.00 0.00 N ATOM 709 CA ASN A 48 13.418 8.371 0.557 1.00 0.00 C ATOM 710 C ASN A 48 14.275 7.123 0.768 1.00 0.00 C ATOM 711 O ASN A 48 14.920 6.963 1.785 1.00 0.00 O ATOM 712 CB ASN A 48 13.461 9.244 1.815 1.00 0.00 C ATOM 713 CG ASN A 48 14.837 9.903 1.935 1.00 0.00 C ATOM 714 OD1 ASN A 48 15.149 10.824 1.207 1.00 0.00 O ATOM 715 ND2 ASN A 48 15.679 9.469 2.834 1.00 0.00 N ATOM 0 H ASN A 48 11.851 6.947 0.303 1.00 0.00 H new ATOM 0 HA ASN A 48 13.802 8.943 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.684 10.007 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.259 8.638 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.597 9.903 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.418 8.696 3.446 1.00 0.00 H new ATOM 722 N GLY A 49 14.282 6.236 -0.188 1.00 0.00 N ATOM 723 CA GLY A 49 15.091 4.992 -0.048 1.00 0.00 C ATOM 724 C GLY A 49 14.203 3.774 -0.311 1.00 0.00 C ATOM 725 O GLY A 49 14.433 3.013 -1.229 1.00 0.00 O ATOM 0 H GLY A 49 13.762 6.319 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.924 5.006 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.519 4.934 0.953 1.00 0.00 H new ATOM 729 N ILE A 50 13.190 3.581 0.490 1.00 0.00 N ATOM 730 CA ILE A 50 12.288 2.414 0.288 1.00 0.00 C ATOM 731 C ILE A 50 11.655 2.494 -1.102 1.00 0.00 C ATOM 732 O ILE A 50 12.030 3.311 -1.919 1.00 0.00 O ATOM 733 CB ILE A 50 11.189 2.436 1.351 1.00 0.00 C ATOM 734 CG1 ILE A 50 10.735 3.878 1.589 1.00 0.00 C ATOM 735 CG2 ILE A 50 11.727 1.849 2.657 1.00 0.00 C ATOM 736 CD1 ILE A 50 9.325 3.878 2.185 1.00 0.00 C ATOM 0 H ILE A 50 12.949 4.183 1.277 1.00 0.00 H new ATOM 0 HA ILE A 50 12.860 1.490 0.373 1.00 0.00 H new ATOM 0 HB ILE A 50 10.343 1.841 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.427 4.381 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.745 4.433 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.943 1.865 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.048 0.821 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.575 2.442 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.002 4.905 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.638 3.391 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.330 3.338 3.132 1.00 0.00 H new ATOM 748 N GLU A 51 10.698 1.651 -1.377 1.00 0.00 N ATOM 749 CA GLU A 51 10.046 1.683 -2.715 1.00 0.00 C ATOM 750 C GLU A 51 8.608 2.186 -2.573 1.00 0.00 C ATOM 751 O GLU A 51 7.832 1.669 -1.792 1.00 0.00 O ATOM 752 CB GLU A 51 10.032 0.277 -3.316 1.00 0.00 C ATOM 753 CG GLU A 51 9.526 0.345 -4.758 1.00 0.00 C ATOM 754 CD GLU A 51 9.507 -1.060 -5.359 1.00 0.00 C ATOM 755 OE1 GLU A 51 10.542 -1.493 -5.838 1.00 0.00 O ATOM 756 OE2 GLU A 51 8.457 -1.681 -5.333 1.00 0.00 O ATOM 0 H GLU A 51 10.341 0.944 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 51 10.605 2.352 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.034 -0.151 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.391 -0.377 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.525 0.776 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.169 0.996 -5.350 1.00 0.00 H new ATOM 763 N ILE A 52 8.248 3.189 -3.329 1.00 0.00 N ATOM 764 CA ILE A 52 6.861 3.722 -3.243 1.00 0.00 C ATOM 765 C ILE A 52 6.386 4.133 -4.640 1.00 0.00 C ATOM 766 O ILE A 52 7.181 4.383 -5.525 1.00 0.00 O ATOM 767 CB ILE A 52 6.838 4.937 -2.312 1.00 0.00 C ATOM 768 CG1 ILE A 52 7.373 4.533 -0.936 1.00 0.00 C ATOM 769 CG2 ILE A 52 5.402 5.444 -2.168 1.00 0.00 C ATOM 770 CD1 ILE A 52 8.901 4.597 -0.943 1.00 0.00 C ATOM 0 H ILE A 52 8.854 3.660 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 52 6.198 2.953 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 52 7.462 5.726 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.974 5.198 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.042 3.525 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.386 6.309 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.017 5.730 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.778 4.655 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.282 4.309 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.290 3.914 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.222 5.613 -1.173 1.00 0.00 H new ATOM 782 N ASN A 53 5.098 4.206 -4.846 1.00 0.00 N ATOM 783 CA ASN A 53 4.580 4.600 -6.186 1.00 0.00 C ATOM 784 C ASN A 53 3.134 5.084 -6.057 1.00 0.00 C ATOM 785 O ASN A 53 2.273 4.376 -5.566 1.00 0.00 O ATOM 786 CB ASN A 53 4.631 3.398 -7.131 1.00 0.00 C ATOM 787 CG ASN A 53 5.071 3.860 -8.520 1.00 0.00 C ATOM 788 OD1 ASN A 53 6.192 4.288 -8.705 1.00 0.00 O ATOM 789 ND2 ASN A 53 4.228 3.792 -9.514 1.00 0.00 N ATOM 0 H ASN A 53 4.384 4.010 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 53 5.198 5.404 -6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.325 2.650 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.651 2.924 -7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.511 4.098 -10.445 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.286 3.433 -9.360 1.00 0.00 H new ATOM 796 N CYS A 54 2.868 6.286 -6.498 1.00 0.00 N ATOM 797 CA CYS A 54 1.483 6.837 -6.416 1.00 0.00 C ATOM 798 C CYS A 54 0.923 6.999 -7.837 1.00 0.00 C ATOM 799 O CYS A 54 1.623 7.384 -8.752 1.00 0.00 O ATOM 800 CB CYS A 54 1.525 8.197 -5.694 1.00 0.00 C ATOM 801 SG CYS A 54 0.055 9.190 -6.090 1.00 0.00 S ATOM 0 H CYS A 54 3.556 6.914 -6.914 1.00 0.00 H new ATOM 0 HA CYS A 54 0.837 6.160 -5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.583 8.039 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.424 8.740 -5.985 1.00 0.00 H new ATOM 806 N CYS A 55 -0.335 6.703 -8.020 1.00 0.00 N ATOM 807 CA CYS A 55 -0.962 6.830 -9.365 1.00 0.00 C ATOM 808 C CYS A 55 -2.475 6.934 -9.174 1.00 0.00 C ATOM 809 O CYS A 55 -2.994 6.593 -8.131 1.00 0.00 O ATOM 810 CB CYS A 55 -0.623 5.591 -10.204 1.00 0.00 C ATOM 811 SG CYS A 55 -1.696 5.520 -11.662 1.00 0.00 S ATOM 0 H CYS A 55 -0.962 6.375 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.589 7.715 -9.881 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.422 5.625 -10.512 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.750 4.690 -9.604 1.00 0.00 H new ATOM 816 N THR A 56 -3.196 7.408 -10.154 1.00 0.00 N ATOM 817 CA THR A 56 -4.668 7.525 -9.972 1.00 0.00 C ATOM 818 C THR A 56 -5.402 7.296 -11.293 1.00 0.00 C ATOM 819 O THR A 56 -5.547 8.187 -12.107 1.00 0.00 O ATOM 820 CB THR A 56 -4.997 8.912 -9.424 1.00 0.00 C ATOM 821 OG1 THR A 56 -4.037 9.849 -9.896 1.00 0.00 O ATOM 822 CG2 THR A 56 -4.956 8.857 -7.898 1.00 0.00 C ATOM 0 H THR A 56 -2.836 7.714 -11.058 1.00 0.00 H new ATOM 0 HA THR A 56 -4.998 6.762 -9.267 1.00 0.00 H new ATOM 0 HB THR A 56 -5.988 9.220 -9.757 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.249 10.739 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.189 9.841 -7.492 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.689 8.134 -7.540 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.960 8.556 -7.571 1.00 0.00 H new ATOM 830 N THR A 57 -5.878 6.099 -11.495 1.00 0.00 N ATOM 831 CA THR A 57 -6.626 5.773 -12.739 1.00 0.00 C ATOM 832 C THR A 57 -7.448 4.512 -12.483 1.00 0.00 C ATOM 833 O THR A 57 -7.462 3.993 -11.385 1.00 0.00 O ATOM 834 CB THR A 57 -5.642 5.522 -13.883 1.00 0.00 C ATOM 835 OG1 THR A 57 -6.357 5.423 -15.107 1.00 0.00 O ATOM 836 CG2 THR A 57 -4.882 4.220 -13.628 1.00 0.00 C ATOM 0 H THR A 57 -5.778 5.323 -10.841 1.00 0.00 H new ATOM 0 HA THR A 57 -7.279 6.601 -13.014 1.00 0.00 H new ATOM 0 HB THR A 57 -4.933 6.348 -13.941 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.728 5.264 -15.841 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.181 4.042 -14.444 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.334 4.297 -12.689 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.588 3.392 -13.569 1.00 0.00 H new ATOM 844 N ASP A 58 -8.122 4.000 -13.475 1.00 0.00 N ATOM 845 CA ASP A 58 -8.917 2.760 -13.250 1.00 0.00 C ATOM 846 C ASP A 58 -8.037 1.761 -12.498 1.00 0.00 C ATOM 847 O ASP A 58 -7.089 1.239 -13.045 1.00 0.00 O ATOM 848 CB ASP A 58 -9.344 2.167 -14.595 1.00 0.00 C ATOM 849 CG ASP A 58 -10.594 2.892 -15.097 1.00 0.00 C ATOM 850 OD1 ASP A 58 -11.314 3.430 -14.273 1.00 0.00 O ATOM 851 OD2 ASP A 58 -10.811 2.895 -16.299 1.00 0.00 O ATOM 0 H ASP A 58 -8.157 4.381 -14.421 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.812 2.985 -12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.537 2.266 -15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.547 1.102 -14.487 1.00 0.00 H new ATOM 856 N ARG A 59 -8.339 1.521 -11.241 1.00 0.00 N ATOM 857 CA ARG A 59 -7.524 0.578 -10.408 1.00 0.00 C ATOM 858 C ARG A 59 -6.058 0.615 -10.858 1.00 0.00 C ATOM 859 O ARG A 59 -5.570 -0.278 -11.522 1.00 0.00 O ATOM 860 CB ARG A 59 -8.092 -0.847 -10.515 1.00 0.00 C ATOM 861 CG ARG A 59 -7.807 -1.442 -11.896 1.00 0.00 C ATOM 862 CD ARG A 59 -6.854 -2.628 -11.750 1.00 0.00 C ATOM 863 NE ARG A 59 -7.497 -3.853 -12.306 1.00 0.00 N ATOM 864 CZ ARG A 59 -7.191 -4.261 -13.507 1.00 0.00 C ATOM 865 NH1 ARG A 59 -5.940 -4.408 -13.849 1.00 0.00 N ATOM 866 NH2 ARG A 59 -8.138 -4.521 -14.367 1.00 0.00 N ATOM 0 H ARG A 59 -9.127 1.945 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.572 0.889 -9.364 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.651 -1.478 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.167 -0.829 -10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.737 -1.764 -12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.367 -0.686 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.920 -2.425 -12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.604 -2.780 -10.700 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.175 -4.372 -11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.200 -4.204 -13.177 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.702 -4.727 -14.788 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.116 -4.405 -14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.900 -4.840 -15.306 1.00 0.00 H new ATOM 880 N CYS A 60 -5.357 1.659 -10.505 1.00 0.00 N ATOM 881 CA CYS A 60 -3.927 1.780 -10.917 1.00 0.00 C ATOM 882 C CYS A 60 -3.043 0.910 -10.019 1.00 0.00 C ATOM 883 O CYS A 60 -1.832 0.942 -10.114 1.00 0.00 O ATOM 884 CB CYS A 60 -3.490 3.242 -10.795 1.00 0.00 C ATOM 885 SG CYS A 60 -2.087 3.551 -11.896 1.00 0.00 S ATOM 0 H CYS A 60 -5.713 2.435 -9.948 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.823 1.445 -11.949 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.319 3.902 -11.051 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.212 3.464 -9.765 1.00 0.00 H new ATOM 890 N ASN A 61 -3.631 0.136 -9.152 1.00 0.00 N ATOM 891 CA ASN A 61 -2.812 -0.725 -8.256 1.00 0.00 C ATOM 892 C ASN A 61 -2.604 -2.095 -8.911 1.00 0.00 C ATOM 893 O ASN A 61 -2.396 -3.088 -8.243 1.00 0.00 O ATOM 894 CB ASN A 61 -3.529 -0.892 -6.913 1.00 0.00 C ATOM 895 CG ASN A 61 -4.668 -1.903 -7.055 1.00 0.00 C ATOM 896 OD1 ASN A 61 -4.502 -3.068 -6.755 1.00 0.00 O ATOM 897 ND2 ASN A 61 -5.825 -1.505 -7.507 1.00 0.00 N ATOM 0 H ASN A 61 -4.640 0.062 -9.025 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.841 -0.258 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.824 -1.229 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.922 0.068 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.590 -2.172 -7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.965 -0.527 -7.759 1.00 0.00 H new ATOM 904 N ASN A 62 -2.658 -2.154 -10.213 1.00 0.00 N ATOM 905 CA ASN A 62 -2.464 -3.457 -10.909 1.00 0.00 C ATOM 906 C ASN A 62 -3.438 -4.489 -10.336 1.00 0.00 C ATOM 907 O ASN A 62 -3.070 -5.650 -10.273 1.00 0.00 O ATOM 908 CB ASN A 62 -1.028 -3.942 -10.699 1.00 0.00 C ATOM 909 CG ASN A 62 -0.438 -4.380 -12.041 1.00 0.00 C ATOM 910 OD1 ASN A 62 0.389 -3.693 -12.607 1.00 0.00 O ATOM 911 ND2 ASN A 62 -0.829 -5.504 -12.576 1.00 0.00 N ATOM 912 OXT ASN A 62 -4.536 -4.100 -9.972 1.00 0.00 O ATOM 0 H ASN A 62 -2.828 -1.356 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.651 -3.330 -11.975 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.423 -3.145 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.013 -4.773 -9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.440 -5.806 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.523 -6.081 -12.101 1.00 0.00 H new TER 919 ASN A 62