USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 795 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 98 THR OG1 : rot 102:sc= 0.0244 USER MOD Set 1.2: A 127 SER OG : rot -130:sc= 0.0228 USER MOD Set 2.1: A 99 TYR OH : rot 37:sc= 0.809 USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0.659 K(o=1.5,f=-0.8) USER MOD Set 3.1: A 91 SER OG : rot 180:sc= -0.661 USER MOD Set 3.2: A 131 THR OG1 : rot 180:sc= -0.0961 USER MOD Set 4.1: A 38 THR OG1 : rot -175:sc= 0.754 USER MOD Set 4.2: A 47 GLN : amide:sc= -1.35 K(o=-0.6,f=-1.3) USER MOD Set 5.1: A 41 ASN : amide:sc= 0.0523 K(o=1.8,f=1.3) USER MOD Set 5.2: A 42 SER OG : rot 103:sc= 0.925 USER MOD Set 5.3: A 45 GLN : amide:sc= 0.864 K(o=1.8,f=-1.1) USER MOD Set 6.1: A 27 SER OG : rot 180:sc= -0.432 USER MOD Set 6.2: A 113 SER OG : rot -170:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.211 F(o=-1.6,f=-0.21) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0308 (180deg=-0.28) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.321 K(o=0.32,f=-1.1) USER MOD Single : A 58 MET CE :methyl 149:sc= -0.131 (180deg=-1.17) USER MOD Single : A 61 SER OG : rot -79:sc= -0.597! USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 63 SER OG : rot 78:sc= 1.59 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -23:sc= 0.0906 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 75 SER OG : rot 105:sc= 1.28 USER MOD Single : A 76 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.32) USER MOD Single : A 78 SER OG : rot -88:sc= 0.358 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.59) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 106:sc= -0.815 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.285 K(o=0.29,f=-4.9!) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.084) USER MOD Single : A 120 SER OG : rot -109:sc= 0.243 USER MOD Single : A 122 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.77) USER MOD Single : A 124 MET CE :methyl 157:sc= -0.219 (180deg=-0.823) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.826 -1.818 12.088 1.00 0.00 N ATOM 24 CA LEU A 26 -6.663 -1.967 11.230 1.00 0.00 C ATOM 25 C LEU A 26 -6.811 -1.073 10.017 1.00 0.00 C ATOM 26 O LEU A 26 -7.266 -1.504 8.967 1.00 0.00 O ATOM 27 CB LEU A 26 -6.480 -3.422 10.789 1.00 0.00 C ATOM 28 CG LEU A 26 -6.193 -4.419 11.911 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.047 -5.818 11.344 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.932 -4.028 12.665 1.00 0.00 C ATOM 0 HA LEU A 26 -5.779 -1.675 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.381 -3.741 10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.662 -3.465 10.070 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.032 -4.404 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.843 -6.519 12.153 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.970 -6.104 10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.223 -5.837 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.745 -4.750 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.086 -4.017 11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.060 -3.036 13.099 1.00 0.00 H new ATOM 42 N SER A 27 -6.474 0.185 10.185 1.00 0.00 N ATOM 43 CA SER A 27 -6.536 1.145 9.101 1.00 0.00 C ATOM 44 C SER A 27 -5.450 2.187 9.295 1.00 0.00 C ATOM 45 O SER A 27 -4.961 2.372 10.408 1.00 0.00 O ATOM 46 CB SER A 27 -7.915 1.815 9.081 1.00 0.00 C ATOM 47 OG SER A 27 -8.953 0.854 8.957 1.00 0.00 O ATOM 0 H SER A 27 -6.150 0.573 11.071 1.00 0.00 H new ATOM 0 HA SER A 27 -6.381 0.636 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.056 2.390 9.996 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.968 2.520 8.251 1.00 0.00 H new ATOM 0 HG SER A 27 -9.821 1.309 8.949 1.00 0.00 H new ATOM 53 N TRP A 28 -5.073 2.877 8.222 1.00 0.00 N ATOM 54 CA TRP A 28 -4.081 3.947 8.315 1.00 0.00 C ATOM 55 C TRP A 28 -4.697 5.202 8.944 1.00 0.00 C ATOM 56 O TRP A 28 -4.249 6.324 8.712 1.00 0.00 O ATOM 57 CB TRP A 28 -3.470 4.256 6.935 1.00 0.00 C ATOM 58 CG TRP A 28 -4.458 4.605 5.852 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.659 5.244 5.993 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.306 4.356 4.445 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.264 5.393 4.770 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.453 4.859 3.804 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.310 3.753 3.667 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.632 4.779 2.425 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.490 3.676 2.296 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.641 4.187 1.689 1.00 0.00 C ATOM 0 H TRP A 28 -5.436 2.717 7.282 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.273 3.608 8.964 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.770 5.084 7.044 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.892 3.390 6.611 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.072 5.583 6.932 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.171 5.831 4.607 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.418 3.355 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.521 5.170 1.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.728 3.213 1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.751 4.113 0.617 1.00 0.00 H new ATOM 77 N TYR A 29 -5.735 4.978 9.736 1.00 0.00 N ATOM 78 CA TYR A 29 -6.444 6.026 10.441 1.00 0.00 C ATOM 79 C TYR A 29 -6.228 5.851 11.946 1.00 0.00 C ATOM 80 O TYR A 29 -6.523 6.740 12.745 1.00 0.00 O ATOM 81 CB TYR A 29 -7.931 5.938 10.079 1.00 0.00 C ATOM 82 CG TYR A 29 -8.816 6.975 10.731 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.783 8.303 10.323 1.00 0.00 C ATOM 84 CD2 TYR A 29 -9.699 6.622 11.745 1.00 0.00 C ATOM 85 CE1 TYR A 29 -9.606 9.247 10.904 1.00 0.00 C ATOM 86 CE2 TYR A 29 -10.524 7.562 12.331 1.00 0.00 C ATOM 87 CZ TYR A 29 -10.473 8.872 11.909 1.00 0.00 C ATOM 88 OH TYR A 29 -11.299 9.807 12.489 1.00 0.00 O ATOM 0 H TYR A 29 -6.112 4.046 9.907 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.071 7.009 10.155 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.031 6.027 8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.297 4.948 10.352 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.103 8.601 9.539 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.741 5.596 12.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.571 10.274 10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.206 7.271 13.116 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.847 9.377 13.179 1.00 0.00 H new ATOM 98 N ASP A 30 -5.692 4.691 12.312 1.00 0.00 N ATOM 99 CA ASP A 30 -5.433 4.360 13.704 1.00 0.00 C ATOM 100 C ASP A 30 -4.003 4.735 14.075 1.00 0.00 C ATOM 101 O ASP A 30 -3.065 4.489 13.313 1.00 0.00 O ATOM 102 CB ASP A 30 -5.651 2.866 13.950 1.00 0.00 C ATOM 103 CG ASP A 30 -7.084 2.425 13.720 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.486 2.271 12.549 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.809 2.212 14.721 1.00 0.00 O ATOM 0 H ASP A 30 -5.427 3.959 11.653 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.127 4.925 14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.993 2.297 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.364 2.627 14.974 1.00 0.00 H new ATOM 110 N PRO A 31 -3.817 5.319 15.266 1.00 0.00 N ATOM 111 CA PRO A 31 -2.516 5.830 15.712 1.00 0.00 C ATOM 112 C PRO A 31 -1.498 4.728 16.005 1.00 0.00 C ATOM 113 O PRO A 31 -0.306 4.998 16.145 1.00 0.00 O ATOM 114 CB PRO A 31 -2.855 6.595 16.992 1.00 0.00 C ATOM 115 CG PRO A 31 -4.105 5.962 17.494 1.00 0.00 C ATOM 116 CD PRO A 31 -4.871 5.528 16.276 1.00 0.00 C ATOM 0 HA PRO A 31 -2.044 6.437 14.939 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.051 6.517 17.724 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.002 7.656 16.791 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.880 5.111 18.136 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.686 6.666 18.090 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.437 4.615 16.461 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.586 6.287 15.959 1.00 0.00 H new ATOM 124 N ASP A 32 -1.970 3.490 16.101 1.00 0.00 N ATOM 125 CA ASP A 32 -1.096 2.359 16.407 1.00 0.00 C ATOM 126 C ASP A 32 -0.814 1.527 15.163 1.00 0.00 C ATOM 127 O ASP A 32 -0.250 0.437 15.251 1.00 0.00 O ATOM 128 CB ASP A 32 -1.717 1.474 17.492 1.00 0.00 C ATOM 129 CG ASP A 32 -3.047 0.878 17.076 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.043 1.628 17.029 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.109 -0.344 16.819 1.00 0.00 O ATOM 0 H ASP A 32 -2.951 3.242 15.972 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.152 2.763 16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.025 0.669 17.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.856 2.063 18.399 1.00 0.00 H new ATOM 136 N PHE A 33 -1.195 2.041 14.001 1.00 0.00 N ATOM 137 CA PHE A 33 -0.968 1.326 12.756 1.00 0.00 C ATOM 138 C PHE A 33 0.366 1.748 12.142 1.00 0.00 C ATOM 139 O PHE A 33 0.714 2.929 12.142 1.00 0.00 O ATOM 140 CB PHE A 33 -2.115 1.585 11.775 1.00 0.00 C ATOM 141 CG PHE A 33 -2.197 0.575 10.665 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.794 -0.657 10.882 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.684 0.855 9.408 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.877 -1.591 9.869 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.764 -0.076 8.391 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.362 -1.300 8.622 1.00 0.00 C ATOM 0 H PHE A 33 -1.659 2.943 13.896 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.931 0.257 12.968 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.057 1.587 12.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.995 2.578 11.343 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.199 -0.889 11.856 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.217 1.811 9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.344 -2.548 10.052 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.359 0.152 7.416 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.426 -2.029 7.827 1.00 0.00 H new ATOM 156 N GLN A 34 1.112 0.780 11.627 1.00 0.00 N ATOM 157 CA GLN A 34 2.418 1.053 11.045 1.00 0.00 C ATOM 158 C GLN A 34 2.460 0.693 9.566 1.00 0.00 C ATOM 159 O GLN A 34 1.971 -0.361 9.157 1.00 0.00 O ATOM 160 CB GLN A 34 3.510 0.293 11.800 1.00 0.00 C ATOM 161 CG GLN A 34 4.046 1.041 13.006 1.00 0.00 C ATOM 162 CD GLN A 34 4.795 2.306 12.623 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.442 2.289 11.463 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 4.804 3.289 13.366 1.00 0.00 N flip ATOM 0 H GLN A 34 0.835 -0.201 11.601 1.00 0.00 H new ATOM 0 HA GLN A 34 2.599 2.124 11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.113 -0.668 12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.333 0.083 11.117 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.218 1.299 13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.711 0.386 13.569 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.295 3.265 14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.320 4.127 13.097 1.00 0.00 H new ATOM 173 N ALA A 35 3.050 1.580 8.776 1.00 0.00 N ATOM 174 CA ALA A 35 3.228 1.354 7.349 1.00 0.00 C ATOM 175 C ALA A 35 4.536 1.981 6.886 1.00 0.00 C ATOM 176 O ALA A 35 5.026 2.922 7.511 1.00 0.00 O ATOM 177 CB ALA A 35 2.053 1.928 6.567 1.00 0.00 C ATOM 0 H ALA A 35 3.417 2.473 9.105 1.00 0.00 H new ATOM 0 HA ALA A 35 3.267 0.281 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.203 1.750 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.131 1.445 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.984 3.000 6.749 1.00 0.00 H new ATOM 183 N ARG A 36 5.103 1.458 5.809 1.00 0.00 N ATOM 184 CA ARG A 36 6.371 1.957 5.295 1.00 0.00 C ATOM 185 C ARG A 36 6.458 1.751 3.786 1.00 0.00 C ATOM 186 O ARG A 36 5.732 0.934 3.217 1.00 0.00 O ATOM 187 CB ARG A 36 7.538 1.234 5.976 1.00 0.00 C ATOM 188 CG ARG A 36 7.642 -0.233 5.592 1.00 0.00 C ATOM 189 CD ARG A 36 8.866 -0.898 6.197 1.00 0.00 C ATOM 190 NE ARG A 36 9.037 -2.255 5.685 1.00 0.00 N ATOM 191 CZ ARG A 36 9.595 -3.251 6.359 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.074 -3.059 7.582 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.696 -4.444 5.795 1.00 0.00 N ATOM 0 H ARG A 36 4.705 0.687 5.273 1.00 0.00 H new ATOM 0 HA ARG A 36 6.430 3.024 5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.469 1.737 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.424 1.312 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.745 -0.758 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.682 -0.321 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.753 -0.307 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.769 -0.925 7.282 1.00 0.00 H new ATOM 0 HE ARG A 36 8.703 -2.450 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.015 -2.137 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.501 -3.834 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.346 -4.592 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.124 -5.216 6.307 1.00 0.00 H new ATOM 206 N LEU A 37 7.344 2.502 3.152 1.00 0.00 N ATOM 207 CA LEU A 37 7.618 2.346 1.734 1.00 0.00 C ATOM 208 C LEU A 37 9.005 1.749 1.553 1.00 0.00 C ATOM 209 O LEU A 37 9.917 2.045 2.328 1.00 0.00 O ATOM 210 CB LEU A 37 7.532 3.698 1.025 1.00 0.00 C ATOM 211 CG LEU A 37 6.146 4.341 1.032 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.215 5.758 0.498 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.173 3.521 0.202 1.00 0.00 C ATOM 0 H LEU A 37 7.891 3.234 3.604 1.00 0.00 H new ATOM 0 HA LEU A 37 6.875 1.679 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.237 4.384 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.852 3.571 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 37 5.790 4.370 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.219 6.200 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.883 6.350 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.593 5.744 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.191 3.995 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.530 3.463 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.098 2.516 0.617 1.00 0.00 H new ATOM 225 N THR A 38 9.157 0.909 0.546 1.00 0.00 N ATOM 226 CA THR A 38 10.426 0.244 0.296 1.00 0.00 C ATOM 227 C THR A 38 11.460 1.221 -0.252 1.00 0.00 C ATOM 228 O THR A 38 11.096 2.282 -0.761 1.00 0.00 O ATOM 229 CB THR A 38 10.261 -0.931 -0.687 1.00 0.00 C ATOM 230 OG1 THR A 38 9.645 -0.478 -1.899 1.00 0.00 O ATOM 231 CG2 THR A 38 9.419 -2.035 -0.069 1.00 0.00 C ATOM 0 H THR A 38 8.417 0.670 -0.114 1.00 0.00 H new ATOM 0 HA THR A 38 10.775 -0.145 1.253 1.00 0.00 H new ATOM 0 HB THR A 38 11.251 -1.329 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.466 -1.245 -2.482 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.315 -2.855 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.904 -2.399 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.433 -1.644 0.180 1.00 0.00 H new ATOM 239 N ARG A 39 12.740 0.871 -0.135 1.00 0.00 N ATOM 240 CA ARG A 39 13.817 1.733 -0.620 1.00 0.00 C ATOM 241 C ARG A 39 13.597 2.097 -2.082 1.00 0.00 C ATOM 242 O ARG A 39 13.537 3.279 -2.422 1.00 0.00 O ATOM 243 CB ARG A 39 15.178 1.053 -0.443 1.00 0.00 C ATOM 244 CG ARG A 39 15.462 0.630 0.987 1.00 0.00 C ATOM 245 CD ARG A 39 16.837 -0.002 1.120 1.00 0.00 C ATOM 246 NE ARG A 39 17.912 0.961 0.878 1.00 0.00 N ATOM 247 CZ ARG A 39 19.166 0.616 0.596 1.00 0.00 C ATOM 248 NH1 ARG A 39 19.493 -0.663 0.477 1.00 0.00 N ATOM 249 NH2 ARG A 39 20.091 1.546 0.411 1.00 0.00 N ATOM 0 H ARG A 39 13.056 -0.001 0.290 1.00 0.00 H new ATOM 0 HA ARG A 39 13.808 2.649 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.224 0.176 -1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.962 1.734 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.394 1.497 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.702 -0.079 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.947 -0.423 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.925 -0.828 0.414 1.00 0.00 H new ATOM 0 HE ARG A 39 17.687 1.955 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.783 -1.385 0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.455 -0.926 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.844 2.533 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.050 1.275 0.195 1.00 0.00 H new ATOM 262 N SER A 40 13.485 1.066 -2.929 1.00 0.00 N ATOM 263 CA SER A 40 13.123 1.223 -4.343 1.00 0.00 C ATOM 264 C SER A 40 13.982 2.279 -5.047 1.00 0.00 C ATOM 265 O SER A 40 15.081 1.983 -5.520 1.00 0.00 O ATOM 266 CB SER A 40 11.633 1.569 -4.463 1.00 0.00 C ATOM 267 OG SER A 40 11.216 1.651 -5.816 1.00 0.00 O ATOM 0 H SER A 40 13.643 0.097 -2.652 1.00 0.00 H new ATOM 0 HA SER A 40 13.316 0.274 -4.843 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.042 0.813 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.440 2.519 -3.965 1.00 0.00 H new ATOM 0 HG SER A 40 10.262 1.871 -5.851 1.00 0.00 H new ATOM 273 N ASN A 41 13.477 3.504 -5.107 1.00 0.00 N ATOM 274 CA ASN A 41 14.203 4.618 -5.698 1.00 0.00 C ATOM 275 C ASN A 41 14.277 5.750 -4.686 1.00 0.00 C ATOM 276 O ASN A 41 15.339 6.320 -4.435 1.00 0.00 O ATOM 277 CB ASN A 41 13.504 5.095 -6.972 1.00 0.00 C ATOM 278 CG ASN A 41 14.207 6.273 -7.626 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.430 6.393 -7.572 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.433 7.157 -8.236 1.00 0.00 N ATOM 0 H ASN A 41 12.555 3.752 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 41 15.210 4.295 -5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.451 4.270 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.478 5.377 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.847 7.975 -8.684 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.422 7.021 -8.258 1.00 0.00 H new ATOM 287 N SER A 42 13.137 6.039 -4.088 1.00 0.00 N ATOM 288 CA SER A 42 13.034 7.038 -3.046 1.00 0.00 C ATOM 289 C SER A 42 12.366 6.398 -1.835 1.00 0.00 C ATOM 290 O SER A 42 11.523 5.519 -1.990 1.00 0.00 O ATOM 291 CB SER A 42 12.204 8.220 -3.550 1.00 0.00 C ATOM 292 OG SER A 42 12.678 8.683 -4.809 1.00 0.00 O ATOM 0 H SER A 42 12.253 5.584 -4.314 1.00 0.00 H new ATOM 0 HA SER A 42 14.022 7.405 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.159 7.922 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.243 9.031 -2.823 1.00 0.00 H new ATOM 0 HG SER A 42 12.086 8.361 -5.520 1.00 0.00 H new ATOM 298 N LYS A 43 12.734 6.828 -0.635 1.00 0.00 N ATOM 299 CA LYS A 43 12.181 6.227 0.573 1.00 0.00 C ATOM 300 C LYS A 43 10.726 6.647 0.764 1.00 0.00 C ATOM 301 O LYS A 43 10.023 6.110 1.620 1.00 0.00 O ATOM 302 CB LYS A 43 13.020 6.551 1.820 1.00 0.00 C ATOM 303 CG LYS A 43 13.190 8.032 2.136 1.00 0.00 C ATOM 304 CD LYS A 43 14.263 8.678 1.272 1.00 0.00 C ATOM 305 CE LYS A 43 14.635 10.056 1.791 1.00 0.00 C ATOM 306 NZ LYS A 43 15.369 9.981 3.082 1.00 0.00 N ATOM 0 H LYS A 43 13.404 7.580 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 43 12.215 5.145 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.560 6.065 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.009 6.109 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.242 8.547 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.451 8.151 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.149 8.043 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.906 8.758 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.251 10.568 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.731 10.652 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.851 10.885 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.697 9.789 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.073 9.217 3.037 1.00 0.00 H new ATOM 319 N CYS A 44 10.292 7.615 -0.033 1.00 0.00 N ATOM 320 CA CYS A 44 8.880 7.953 -0.129 1.00 0.00 C ATOM 321 C CYS A 44 8.342 7.606 -1.518 1.00 0.00 C ATOM 322 O CYS A 44 7.408 8.236 -2.010 1.00 0.00 O ATOM 323 CB CYS A 44 8.647 9.436 0.177 1.00 0.00 C ATOM 324 SG CYS A 44 8.908 9.887 1.922 1.00 0.00 S ATOM 0 H CYS A 44 10.901 8.181 -0.624 1.00 0.00 H new ATOM 0 HA CYS A 44 8.341 7.365 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.314 10.033 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.628 9.698 -0.106 1.00 0.00 H new ATOM 329 N GLN A 45 8.935 6.594 -2.144 1.00 0.00 N ATOM 330 CA GLN A 45 8.516 6.149 -3.469 1.00 0.00 C ATOM 331 C GLN A 45 8.859 4.677 -3.658 1.00 0.00 C ATOM 332 O GLN A 45 9.939 4.328 -4.148 1.00 0.00 O ATOM 333 CB GLN A 45 9.185 6.995 -4.556 1.00 0.00 C ATOM 334 CG GLN A 45 8.875 6.553 -5.982 1.00 0.00 C ATOM 335 CD GLN A 45 9.713 7.291 -7.007 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.855 7.669 -6.741 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.150 7.507 -8.184 1.00 0.00 N ATOM 0 H GLN A 45 9.713 6.063 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 45 7.436 6.273 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.873 8.032 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.264 6.967 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.052 5.481 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.818 6.721 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.202 7.177 -8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.664 8.003 -8.912 1.00 0.00 H new ATOM 346 N GLY A 46 7.934 3.819 -3.270 1.00 0.00 N ATOM 347 CA GLY A 46 8.169 2.393 -3.341 1.00 0.00 C ATOM 348 C GLY A 46 6.907 1.599 -3.095 1.00 0.00 C ATOM 349 O GLY A 46 5.803 2.137 -3.195 1.00 0.00 O ATOM 0 H GLY A 46 7.019 4.084 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.571 2.140 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.923 2.113 -2.606 1.00 0.00 H new ATOM 353 N GLN A 47 7.065 0.322 -2.778 1.00 0.00 N ATOM 354 CA GLN A 47 5.931 -0.533 -2.465 1.00 0.00 C ATOM 355 C GLN A 47 5.495 -0.308 -1.027 1.00 0.00 C ATOM 356 O GLN A 47 6.328 -0.109 -0.138 1.00 0.00 O ATOM 357 CB GLN A 47 6.264 -2.015 -2.691 1.00 0.00 C ATOM 358 CG GLN A 47 6.223 -2.451 -4.154 1.00 0.00 C ATOM 359 CD GLN A 47 7.315 -1.828 -5.002 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.405 -1.529 -4.517 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.034 -1.639 -6.280 1.00 0.00 N ATOM 0 H GLN A 47 7.971 -0.145 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 47 5.114 -0.269 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.258 -2.217 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.561 -2.624 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.310 -3.536 -4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.253 -2.189 -4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.118 -1.900 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.733 -1.232 -6.901 1.00 0.00 H new ATOM 370 N LEU A 48 4.193 -0.322 -0.808 1.00 0.00 N ATOM 371 CA LEU A 48 3.642 -0.081 0.514 1.00 0.00 C ATOM 372 C LEU A 48 3.604 -1.369 1.323 1.00 0.00 C ATOM 373 O LEU A 48 2.924 -2.329 0.953 1.00 0.00 O ATOM 374 CB LEU A 48 2.232 0.508 0.406 1.00 0.00 C ATOM 375 CG LEU A 48 1.582 0.916 1.735 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.328 2.085 2.366 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.118 1.269 1.523 1.00 0.00 C ATOM 0 H LEU A 48 3.495 -0.498 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 48 4.287 0.634 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.272 1.383 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.588 -0.223 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 48 1.639 0.069 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.849 2.357 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.362 1.797 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.307 2.938 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.329 1.556 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.042 2.100 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.410 0.405 1.121 1.00 0.00 H new ATOM 389 N GLU A 49 4.346 -1.386 2.416 1.00 0.00 N ATOM 390 CA GLU A 49 4.316 -2.503 3.343 1.00 0.00 C ATOM 391 C GLU A 49 3.663 -2.056 4.641 1.00 0.00 C ATOM 392 O GLU A 49 3.993 -0.996 5.181 1.00 0.00 O ATOM 393 CB GLU A 49 5.725 -3.039 3.616 1.00 0.00 C ATOM 394 CG GLU A 49 6.444 -3.532 2.370 1.00 0.00 C ATOM 395 CD GLU A 49 7.870 -3.965 2.649 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.625 -3.180 3.256 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.247 -5.087 2.246 1.00 0.00 O ATOM 0 H GLU A 49 4.980 -0.634 2.684 1.00 0.00 H new ATOM 0 HA GLU A 49 3.737 -3.312 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.320 -2.252 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.660 -3.856 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.891 -4.369 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.449 -2.740 1.621 1.00 0.00 H new ATOM 404 N VAL A 50 2.725 -2.846 5.126 1.00 0.00 N ATOM 405 CA VAL A 50 2.002 -2.515 6.341 1.00 0.00 C ATOM 406 C VAL A 50 2.248 -3.560 7.418 1.00 0.00 C ATOM 407 O VAL A 50 2.562 -4.716 7.120 1.00 0.00 O ATOM 408 CB VAL A 50 0.484 -2.382 6.089 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.197 -1.227 5.138 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.095 -3.680 5.544 1.00 0.00 C ATOM 0 H VAL A 50 2.444 -3.727 4.695 1.00 0.00 H new ATOM 0 HA VAL A 50 2.378 -1.550 6.681 1.00 0.00 H new ATOM 0 HB VAL A 50 0.002 -2.171 7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.878 -1.150 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.565 -0.298 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.698 -1.406 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.165 -3.559 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.394 -3.930 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.070 -4.482 6.263 1.00 0.00 H new ATOM 420 N TYR A 51 2.123 -3.146 8.669 1.00 0.00 N ATOM 421 CA TYR A 51 2.334 -4.044 9.789 1.00 0.00 C ATOM 422 C TYR A 51 1.006 -4.594 10.293 1.00 0.00 C ATOM 423 O TYR A 51 0.201 -3.867 10.880 1.00 0.00 O ATOM 424 CB TYR A 51 3.072 -3.331 10.929 1.00 0.00 C ATOM 425 CG TYR A 51 3.341 -4.222 12.127 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.457 -5.051 12.167 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.473 -4.241 13.215 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.699 -5.868 13.255 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.712 -5.053 14.306 1.00 0.00 C ATOM 430 CZ TYR A 51 3.824 -5.865 14.320 1.00 0.00 C ATOM 431 OH TYR A 51 4.057 -6.682 15.403 1.00 0.00 O ATOM 0 H TYR A 51 1.876 -2.192 8.933 1.00 0.00 H new ATOM 0 HA TYR A 51 2.950 -4.874 9.442 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.020 -2.946 10.553 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.484 -2.471 11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.145 -5.056 11.335 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.597 -3.609 13.206 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.570 -6.506 13.271 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.030 -5.051 15.144 1.00 0.00 H new ATOM 0 HH TYR A 51 3.346 -6.557 16.066 1.00 0.00 H new ATOM 441 N LEU A 52 0.781 -5.873 10.044 1.00 0.00 N ATOM 442 CA LEU A 52 -0.387 -6.559 10.572 1.00 0.00 C ATOM 443 C LEU A 52 0.065 -7.623 11.566 1.00 0.00 C ATOM 444 O LEU A 52 1.248 -7.686 11.898 1.00 0.00 O ATOM 445 CB LEU A 52 -1.213 -7.184 9.437 1.00 0.00 C ATOM 446 CG LEU A 52 -1.791 -6.196 8.417 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.510 -6.949 7.309 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.739 -5.211 9.089 1.00 0.00 C ATOM 0 H LEU A 52 1.394 -6.459 9.478 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.026 -5.840 11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.585 -7.900 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.036 -7.746 9.878 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.967 -5.630 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.917 -6.238 6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.808 -7.613 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.322 -7.537 7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.135 -4.521 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.561 -5.756 9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.200 -4.650 9.852 1.00 0.00 H new ATOM 460 N LYS A 53 -0.856 -8.457 12.037 1.00 0.00 N ATOM 461 CA LYS A 53 -0.513 -9.501 13.004 1.00 0.00 C ATOM 462 C LYS A 53 0.519 -10.469 12.428 1.00 0.00 C ATOM 463 O LYS A 53 1.370 -10.989 13.148 1.00 0.00 O ATOM 464 CB LYS A 53 -1.768 -10.265 13.440 1.00 0.00 C ATOM 465 CG LYS A 53 -2.778 -9.411 14.199 1.00 0.00 C ATOM 466 CD LYS A 53 -2.172 -8.799 15.456 1.00 0.00 C ATOM 467 CE LYS A 53 -1.629 -9.870 16.387 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.043 -9.294 17.626 1.00 0.00 N ATOM 0 H LYS A 53 -1.840 -8.434 11.769 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.076 -9.016 13.876 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.251 -10.684 12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.471 -11.104 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.144 -8.617 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.639 -10.022 14.471 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.370 -8.115 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.928 -8.211 15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.431 -10.558 16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.870 -10.452 15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.686 -10.061 18.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.260 -8.657 17.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.773 -8.760 18.140 1.00 0.00 H new ATOM 481 N ASP A 54 0.440 -10.686 11.124 1.00 0.00 N ATOM 482 CA ASP A 54 1.358 -11.581 10.422 1.00 0.00 C ATOM 483 C ASP A 54 2.735 -10.948 10.252 1.00 0.00 C ATOM 484 O ASP A 54 3.684 -11.614 9.838 1.00 0.00 O ATOM 485 CB ASP A 54 0.795 -11.935 9.043 1.00 0.00 C ATOM 486 CG ASP A 54 -0.539 -12.644 9.115 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.546 -11.994 9.468 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.586 -13.854 8.816 1.00 0.00 O ATOM 0 H ASP A 54 -0.258 -10.250 10.521 1.00 0.00 H new ATOM 0 HA ASP A 54 1.463 -12.483 11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.685 -11.023 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.509 -12.568 8.516 1.00 0.00 H new ATOM 493 N GLY A 55 2.843 -9.666 10.567 1.00 0.00 N ATOM 494 CA GLY A 55 4.088 -8.951 10.370 1.00 0.00 C ATOM 495 C GLY A 55 4.022 -8.041 9.164 1.00 0.00 C ATOM 496 O GLY A 55 2.945 -7.855 8.582 1.00 0.00 O ATOM 0 H GLY A 55 2.086 -9.105 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.315 -8.362 11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.902 -9.665 10.244 1.00 0.00 H new ATOM 500 N TRP A 56 5.160 -7.485 8.777 1.00 0.00 N ATOM 501 CA TRP A 56 5.223 -6.569 7.644 1.00 0.00 C ATOM 502 C TRP A 56 4.944 -7.296 6.337 1.00 0.00 C ATOM 503 O TRP A 56 5.581 -8.300 6.025 1.00 0.00 O ATOM 504 CB TRP A 56 6.587 -5.883 7.577 1.00 0.00 C ATOM 505 CG TRP A 56 6.810 -4.903 8.688 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.465 -5.127 9.865 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.372 -3.541 8.728 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.455 -3.989 10.631 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.792 -3.002 9.956 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.664 -2.726 7.843 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.528 -1.684 10.320 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.403 -1.421 8.206 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.833 -0.910 9.434 1.00 0.00 C ATOM 0 H TRP A 56 6.057 -7.652 9.232 1.00 0.00 H new ATOM 0 HA TRP A 56 4.454 -5.810 7.789 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.370 -6.641 7.607 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.680 -5.367 6.622 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.923 -6.062 10.151 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.875 -3.894 11.556 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.327 -3.110 6.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.861 -1.288 11.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.856 -0.782 7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.612 0.116 9.687 1.00 0.00 H new ATOM 524 N HIS A 57 3.979 -6.788 5.586 1.00 0.00 N ATOM 525 CA HIS A 57 3.602 -7.386 4.312 1.00 0.00 C ATOM 526 C HIS A 57 3.264 -6.309 3.292 1.00 0.00 C ATOM 527 O HIS A 57 2.808 -5.224 3.650 1.00 0.00 O ATOM 528 CB HIS A 57 2.410 -8.329 4.495 1.00 0.00 C ATOM 529 CG HIS A 57 2.792 -9.684 5.009 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.904 -9.981 6.351 1.00 0.00 N ATOM 531 CD2 HIS A 57 3.099 -10.827 4.347 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.263 -11.243 6.493 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.387 -11.779 5.292 1.00 0.00 N ATOM 0 H HIS A 57 3.440 -5.959 5.837 1.00 0.00 H new ATOM 0 HA HIS A 57 4.451 -7.961 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.700 -7.874 5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.897 -8.443 3.540 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.736 -9.327 7.115 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.114 -10.963 3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.427 -11.751 7.432 1.00 0.00 H new ATOM 541 N MET A 58 3.491 -6.626 2.025 1.00 0.00 N ATOM 542 CA MET A 58 3.252 -5.691 0.935 1.00 0.00 C ATOM 543 C MET A 58 1.774 -5.653 0.589 1.00 0.00 C ATOM 544 O MET A 58 1.103 -6.682 0.618 1.00 0.00 O ATOM 545 CB MET A 58 4.045 -6.116 -0.303 1.00 0.00 C ATOM 546 CG MET A 58 5.547 -6.158 -0.092 1.00 0.00 C ATOM 547 SD MET A 58 6.413 -6.940 -1.468 1.00 0.00 S ATOM 548 CE MET A 58 5.848 -5.942 -2.845 1.00 0.00 C ATOM 0 H MET A 58 3.844 -7.534 1.725 1.00 0.00 H new ATOM 0 HA MET A 58 3.574 -4.700 1.254 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.705 -7.103 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.822 -5.427 -1.118 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.921 -5.143 0.039 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.767 -6.700 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.628 -5.896 -3.605 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.950 -6.387 -3.273 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.623 -4.934 -2.496 1.00 0.00 H new ATOM 558 N VAL A 59 1.267 -4.476 0.261 1.00 0.00 N ATOM 559 CA VAL A 59 -0.116 -4.344 -0.175 1.00 0.00 C ATOM 560 C VAL A 59 -0.202 -4.551 -1.685 1.00 0.00 C ATOM 561 O VAL A 59 0.652 -4.073 -2.433 1.00 0.00 O ATOM 562 CB VAL A 59 -0.711 -2.962 0.194 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.179 -2.870 -0.216 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.560 -2.689 1.684 1.00 0.00 C ATOM 0 H VAL A 59 1.789 -3.600 0.288 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.699 -5.106 0.342 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.155 -2.203 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.572 -1.890 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.265 -3.011 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.749 -3.644 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.985 -1.713 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.084 -3.459 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.497 -2.699 1.950 1.00 0.00 H new ATOM 574 N CYS A 60 -1.206 -5.290 -2.125 1.00 0.00 N ATOM 575 CA CYS A 60 -1.431 -5.503 -3.547 1.00 0.00 C ATOM 576 C CYS A 60 -2.426 -4.463 -4.054 1.00 0.00 C ATOM 577 O CYS A 60 -3.376 -4.115 -3.354 1.00 0.00 O ATOM 578 CB CYS A 60 -1.962 -6.918 -3.785 1.00 0.00 C ATOM 579 SG CYS A 60 -1.837 -7.498 -5.508 1.00 0.00 S ATOM 0 H CYS A 60 -1.881 -5.754 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.492 -5.395 -4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.416 -7.609 -3.143 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.007 -6.956 -3.478 1.00 0.00 H new ATOM 584 N SER A 61 -2.194 -3.970 -5.269 1.00 0.00 N ATOM 585 CA SER A 61 -2.941 -2.830 -5.811 1.00 0.00 C ATOM 586 C SER A 61 -4.426 -3.128 -6.020 1.00 0.00 C ATOM 587 O SER A 61 -5.247 -2.212 -6.038 1.00 0.00 O ATOM 588 CB SER A 61 -2.302 -2.376 -7.125 1.00 0.00 C ATOM 589 OG SER A 61 -2.085 -3.477 -7.991 1.00 0.00 O ATOM 0 H SER A 61 -1.489 -4.344 -5.904 1.00 0.00 H new ATOM 0 HA SER A 61 -2.889 -2.031 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.947 -1.646 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.354 -1.878 -6.920 1.00 0.00 H new ATOM 0 HG SER A 61 -1.280 -3.960 -7.710 1.00 0.00 H new ATOM 595 N GLN A 62 -4.776 -4.400 -6.162 1.00 0.00 N ATOM 596 CA GLN A 62 -6.166 -4.773 -6.388 1.00 0.00 C ATOM 597 C GLN A 62 -6.867 -5.015 -5.052 1.00 0.00 C ATOM 598 O GLN A 62 -7.434 -6.082 -4.810 1.00 0.00 O ATOM 599 CB GLN A 62 -6.252 -6.017 -7.282 1.00 0.00 C ATOM 600 CG GLN A 62 -7.647 -6.276 -7.838 1.00 0.00 C ATOM 601 CD GLN A 62 -7.722 -7.517 -8.711 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.918 -8.522 -8.402 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -8.510 -7.574 -9.656 1.00 0.00 N flip ATOM 0 H GLN A 62 -4.124 -5.184 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.670 -3.954 -6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.554 -5.906 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.931 -6.888 -6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.348 -6.379 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.966 -5.411 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.115 -6.779 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.558 -8.416 -10.230 1.00 0.00 H new ATOM 612 N SER A 63 -6.809 -4.020 -4.181 1.00 0.00 N ATOM 613 CA SER A 63 -7.433 -4.113 -2.872 1.00 0.00 C ATOM 614 C SER A 63 -8.605 -3.145 -2.762 1.00 0.00 C ATOM 615 O SER A 63 -8.683 -2.167 -3.510 1.00 0.00 O ATOM 616 CB SER A 63 -6.406 -3.817 -1.773 1.00 0.00 C ATOM 617 OG SER A 63 -5.405 -4.819 -1.721 1.00 0.00 O ATOM 0 H SER A 63 -6.334 -3.135 -4.359 1.00 0.00 H new ATOM 0 HA SER A 63 -7.809 -5.128 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.944 -2.847 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.910 -3.753 -0.809 1.00 0.00 H new ATOM 0 HG SER A 63 -4.760 -4.675 -2.445 1.00 0.00 H new ATOM 623 N TRP A 64 -9.503 -3.443 -1.825 1.00 0.00 N ATOM 624 CA TRP A 64 -10.654 -2.596 -1.502 1.00 0.00 C ATOM 625 C TRP A 64 -11.643 -2.519 -2.661 1.00 0.00 C ATOM 626 O TRP A 64 -12.660 -3.212 -2.671 1.00 0.00 O ATOM 627 CB TRP A 64 -10.196 -1.190 -1.088 1.00 0.00 C ATOM 628 CG TRP A 64 -9.182 -1.207 0.019 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.363 -1.676 1.287 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.829 -0.740 -0.044 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.208 -1.533 2.012 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.253 -0.960 1.220 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.046 -0.157 -1.046 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -5.934 -0.622 1.506 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.738 0.178 -0.759 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.193 -0.054 0.509 1.00 0.00 C ATOM 0 H TRP A 64 -9.453 -4.291 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.170 -3.056 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.772 -0.682 -1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.063 -0.610 -0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.282 -2.098 1.665 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.082 -1.810 2.986 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.458 0.028 -2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.511 -0.803 2.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.125 0.627 -1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.167 0.221 0.703 1.00 0.00 H new ATOM 647 N GLY A 65 -11.335 -1.679 -3.628 1.00 0.00 N ATOM 648 CA GLY A 65 -12.174 -1.531 -4.797 1.00 0.00 C ATOM 649 C GLY A 65 -11.422 -0.870 -5.930 1.00 0.00 C ATOM 650 O GLY A 65 -11.967 -0.034 -6.647 1.00 0.00 O ATOM 0 H GLY A 65 -10.505 -1.086 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.532 -2.509 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.052 -0.937 -4.545 1.00 0.00 H new ATOM 654 N ARG A 66 -10.160 -1.246 -6.085 1.00 0.00 N ATOM 655 CA ARG A 66 -9.283 -0.617 -7.057 1.00 0.00 C ATOM 656 C ARG A 66 -8.687 -1.667 -7.979 1.00 0.00 C ATOM 657 O ARG A 66 -8.659 -2.853 -7.646 1.00 0.00 O ATOM 658 CB ARG A 66 -8.186 0.161 -6.328 1.00 0.00 C ATOM 659 CG ARG A 66 -8.736 1.270 -5.442 1.00 0.00 C ATOM 660 CD ARG A 66 -9.340 2.400 -6.269 1.00 0.00 C ATOM 661 NE ARG A 66 -10.122 3.342 -5.461 1.00 0.00 N ATOM 662 CZ ARG A 66 -9.604 4.191 -4.574 1.00 0.00 C ATOM 663 NH1 ARG A 66 -8.304 4.194 -4.326 1.00 0.00 N ATOM 664 NH2 ARG A 66 -10.388 5.033 -3.920 1.00 0.00 N ATOM 0 H ARG A 66 -9.720 -1.990 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.856 0.081 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.602 -0.529 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.505 0.593 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.494 0.861 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.938 1.665 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.540 2.940 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.979 1.976 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.134 3.348 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.690 3.543 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.916 4.847 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.393 5.034 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.987 5.681 -3.242 1.00 0.00 H new ATOM 677 N SER A 67 -8.237 -1.236 -9.143 1.00 0.00 N ATOM 678 CA SER A 67 -7.744 -2.151 -10.156 1.00 0.00 C ATOM 679 C SER A 67 -6.364 -1.722 -10.669 1.00 0.00 C ATOM 680 O SER A 67 -5.605 -1.076 -9.948 1.00 0.00 O ATOM 681 CB SER A 67 -8.754 -2.214 -11.302 1.00 0.00 C ATOM 682 OG SER A 67 -10.059 -2.488 -10.815 1.00 0.00 O ATOM 0 H SER A 67 -8.203 -0.253 -9.411 1.00 0.00 H new ATOM 0 HA SER A 67 -7.630 -3.142 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.755 -1.268 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.457 -2.986 -12.011 1.00 0.00 H new ATOM 0 HG SER A 67 -10.688 -2.522 -11.566 1.00 0.00 H new ATOM 688 N SER A 68 -6.044 -2.071 -11.913 1.00 0.00 N ATOM 689 CA SER A 68 -4.735 -1.769 -12.481 1.00 0.00 C ATOM 690 C SER A 68 -4.701 -0.343 -13.032 1.00 0.00 C ATOM 691 O SER A 68 -3.634 0.190 -13.352 1.00 0.00 O ATOM 692 CB SER A 68 -4.395 -2.783 -13.581 1.00 0.00 C ATOM 693 OG SER A 68 -3.061 -2.630 -14.040 1.00 0.00 O ATOM 0 H SER A 68 -6.674 -2.563 -12.546 1.00 0.00 H new ATOM 0 HA SER A 68 -3.986 -1.843 -11.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.535 -3.795 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.084 -2.659 -14.416 1.00 0.00 H new ATOM 0 HG SER A 68 -2.750 -1.721 -13.844 1.00 0.00 H new ATOM 699 N LYS A 69 -5.870 0.267 -13.147 1.00 0.00 N ATOM 700 CA LYS A 69 -5.968 1.652 -13.587 1.00 0.00 C ATOM 701 C LYS A 69 -5.702 2.583 -12.412 1.00 0.00 C ATOM 702 O LYS A 69 -6.263 2.397 -11.331 1.00 0.00 O ATOM 703 CB LYS A 69 -7.353 1.944 -14.180 1.00 0.00 C ATOM 704 CG LYS A 69 -7.708 1.128 -15.424 1.00 0.00 C ATOM 705 CD LYS A 69 -6.917 1.564 -16.654 1.00 0.00 C ATOM 706 CE LYS A 69 -5.494 1.026 -16.647 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.718 1.500 -17.823 1.00 0.00 N ATOM 0 H LYS A 69 -6.766 -0.175 -12.942 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.222 1.820 -14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.106 1.758 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.408 3.003 -14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.518 0.073 -15.229 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.774 1.227 -15.628 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.429 1.220 -17.553 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.891 2.653 -16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.992 1.338 -15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.518 -0.064 -16.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.754 1.112 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.183 1.181 -18.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.674 2.539 -17.814 1.00 0.00 H new ATOM 720 N GLN A 70 -4.843 3.572 -12.618 1.00 0.00 N ATOM 721 CA GLN A 70 -4.515 4.518 -11.565 1.00 0.00 C ATOM 722 C GLN A 70 -5.721 5.412 -11.301 1.00 0.00 C ATOM 723 O GLN A 70 -6.172 6.138 -12.189 1.00 0.00 O ATOM 724 CB GLN A 70 -3.296 5.361 -11.951 1.00 0.00 C ATOM 725 CG GLN A 70 -2.705 6.146 -10.791 1.00 0.00 C ATOM 726 CD GLN A 70 -1.542 7.019 -11.211 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.720 8.187 -11.556 1.00 0.00 O ATOM 728 NE2 GLN A 70 -0.343 6.456 -11.193 1.00 0.00 N ATOM 0 H GLN A 70 -4.363 3.738 -13.502 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.265 3.969 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.528 4.706 -12.364 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.581 6.056 -12.741 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.481 6.770 -10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.373 5.452 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.240 5.484 -10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.477 6.994 -11.472 1.00 0.00 H new ATOM 737 N TRP A 71 -6.240 5.343 -10.084 1.00 0.00 N ATOM 738 CA TRP A 71 -7.498 5.993 -9.741 1.00 0.00 C ATOM 739 C TRP A 71 -7.370 7.508 -9.627 1.00 0.00 C ATOM 740 O TRP A 71 -6.264 8.051 -9.610 1.00 0.00 O ATOM 741 CB TRP A 71 -8.066 5.404 -8.448 1.00 0.00 C ATOM 742 CG TRP A 71 -7.040 5.205 -7.377 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.677 6.096 -6.410 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.245 4.034 -7.167 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.713 5.544 -5.603 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.429 4.279 -6.050 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.150 2.799 -7.816 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.531 3.335 -5.567 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.255 1.864 -7.334 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.457 2.137 -6.220 1.00 0.00 C ATOM 0 H TRP A 71 -5.805 4.839 -9.311 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.189 5.798 -10.561 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.848 6.063 -8.072 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.536 4.446 -8.671 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.087 7.089 -6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.279 6.001 -4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.764 2.581 -8.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -3.913 3.541 -4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.171 0.906 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.767 1.385 -5.867 1.00 0.00 H new ATOM 761 N GLU A 72 -8.516 8.172 -9.540 1.00 0.00 N ATOM 762 CA GLU A 72 -8.588 9.624 -9.620 1.00 0.00 C ATOM 763 C GLU A 72 -7.784 10.313 -8.511 1.00 0.00 C ATOM 764 O GLU A 72 -6.903 11.130 -8.793 1.00 0.00 O ATOM 765 CB GLU A 72 -10.054 10.063 -9.567 1.00 0.00 C ATOM 766 CG GLU A 72 -10.294 11.456 -10.112 1.00 0.00 C ATOM 767 CD GLU A 72 -9.861 11.594 -11.555 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.273 10.760 -12.388 1.00 0.00 O ATOM 769 OE2 GLU A 72 -9.102 12.532 -11.860 1.00 0.00 O ATOM 0 H GLU A 72 -9.421 7.719 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.141 9.928 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.657 9.353 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.399 10.023 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.354 11.698 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.753 12.180 -9.502 1.00 0.00 H new ATOM 776 N ASP A 73 -8.075 9.989 -7.255 1.00 0.00 N ATOM 777 CA ASP A 73 -7.426 10.674 -6.143 1.00 0.00 C ATOM 778 C ASP A 73 -6.668 9.703 -5.248 1.00 0.00 C ATOM 779 O ASP A 73 -7.264 8.977 -4.454 1.00 0.00 O ATOM 780 CB ASP A 73 -8.436 11.461 -5.307 1.00 0.00 C ATOM 781 CG ASP A 73 -7.747 12.327 -4.274 1.00 0.00 C ATOM 782 OD1 ASP A 73 -6.931 13.186 -4.670 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.012 12.155 -3.069 1.00 0.00 O ATOM 0 H ASP A 73 -8.745 9.269 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.711 11.371 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.043 12.087 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.115 10.769 -4.809 1.00 0.00 H new ATOM 788 N PRO A 74 -5.336 9.672 -5.377 1.00 0.00 N ATOM 789 CA PRO A 74 -4.461 8.850 -4.545 1.00 0.00 C ATOM 790 C PRO A 74 -4.052 9.562 -3.255 1.00 0.00 C ATOM 791 O PRO A 74 -3.297 9.024 -2.445 1.00 0.00 O ATOM 792 CB PRO A 74 -3.224 8.640 -5.435 1.00 0.00 C ATOM 793 CG PRO A 74 -3.452 9.443 -6.679 1.00 0.00 C ATOM 794 CD PRO A 74 -4.555 10.411 -6.370 1.00 0.00 C ATOM 0 HA PRO A 74 -4.950 7.928 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.318 8.966 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.093 7.585 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.544 9.971 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.727 8.796 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.174 11.351 -5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.144 10.655 -7.254 1.00 0.00 H new ATOM 802 N SER A 75 -4.573 10.766 -3.066 1.00 0.00 N ATOM 803 CA SER A 75 -4.127 11.649 -1.996 1.00 0.00 C ATOM 804 C SER A 75 -4.604 11.191 -0.617 1.00 0.00 C ATOM 805 O SER A 75 -4.228 11.772 0.396 1.00 0.00 O ATOM 806 CB SER A 75 -4.620 13.061 -2.274 1.00 0.00 C ATOM 807 OG SER A 75 -4.498 13.369 -3.653 1.00 0.00 O ATOM 0 H SER A 75 -5.314 11.158 -3.647 1.00 0.00 H new ATOM 0 HA SER A 75 -3.037 11.623 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.661 13.156 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.046 13.775 -1.684 1.00 0.00 H new ATOM 0 HG SER A 75 -5.383 13.344 -4.073 1.00 0.00 H new ATOM 813 N GLN A 76 -5.416 10.142 -0.573 1.00 0.00 N ATOM 814 CA GLN A 76 -5.907 9.614 0.698 1.00 0.00 C ATOM 815 C GLN A 76 -4.778 8.964 1.499 1.00 0.00 C ATOM 816 O GLN A 76 -4.930 8.670 2.684 1.00 0.00 O ATOM 817 CB GLN A 76 -7.034 8.606 0.457 1.00 0.00 C ATOM 818 CG GLN A 76 -8.304 9.229 -0.102 1.00 0.00 C ATOM 819 CD GLN A 76 -8.938 10.229 0.848 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.624 11.418 0.816 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.845 9.760 1.694 1.00 0.00 N ATOM 0 H GLN A 76 -5.748 9.641 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.298 10.449 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.682 7.839 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.269 8.106 1.396 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.075 9.726 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.023 8.440 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.080 8.767 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.308 10.392 2.347 1.00 0.00 H new ATOM 830 N ALA A 77 -3.641 8.751 0.845 1.00 0.00 N ATOM 831 CA ALA A 77 -2.482 8.150 1.496 1.00 0.00 C ATOM 832 C ALA A 77 -1.503 9.217 1.980 1.00 0.00 C ATOM 833 O ALA A 77 -0.368 8.909 2.351 1.00 0.00 O ATOM 834 CB ALA A 77 -1.787 7.184 0.546 1.00 0.00 C ATOM 0 H ALA A 77 -3.497 8.986 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.833 7.598 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.924 6.742 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.482 6.396 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.457 7.722 -0.343 1.00 0.00 H new ATOM 840 N SER A 78 -1.954 10.470 1.984 1.00 0.00 N ATOM 841 CA SER A 78 -1.125 11.593 2.412 1.00 0.00 C ATOM 842 C SER A 78 -0.622 11.399 3.839 1.00 0.00 C ATOM 843 O SER A 78 0.493 11.799 4.174 1.00 0.00 O ATOM 844 CB SER A 78 -1.921 12.893 2.307 1.00 0.00 C ATOM 845 OG SER A 78 -3.178 12.773 2.954 1.00 0.00 O ATOM 0 H SER A 78 -2.896 10.733 1.693 1.00 0.00 H new ATOM 0 HA SER A 78 -0.256 11.645 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.353 13.708 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.071 13.148 1.258 1.00 0.00 H new ATOM 0 HG SER A 78 -3.841 12.428 2.320 1.00 0.00 H new ATOM 851 N LYS A 79 -1.449 10.764 4.662 1.00 0.00 N ATOM 852 CA LYS A 79 -1.115 10.520 6.059 1.00 0.00 C ATOM 853 C LYS A 79 0.139 9.662 6.164 1.00 0.00 C ATOM 854 O LYS A 79 1.004 9.909 7.004 1.00 0.00 O ATOM 855 CB LYS A 79 -2.283 9.831 6.768 1.00 0.00 C ATOM 856 CG LYS A 79 -3.637 10.443 6.446 1.00 0.00 C ATOM 857 CD LYS A 79 -3.675 11.936 6.740 1.00 0.00 C ATOM 858 CE LYS A 79 -4.950 12.571 6.207 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.964 14.046 6.389 1.00 0.00 N ATOM 0 H LYS A 79 -2.362 10.407 4.382 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.923 11.478 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.295 8.777 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.120 9.875 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.869 10.275 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.409 9.940 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.607 12.099 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.809 12.420 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.055 12.337 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.810 12.136 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.852 14.434 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.891 14.272 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.159 14.466 5.882 1.00 0.00 H new ATOM 872 N VAL A 80 0.243 8.670 5.287 1.00 0.00 N ATOM 873 CA VAL A 80 1.404 7.791 5.259 1.00 0.00 C ATOM 874 C VAL A 80 2.647 8.577 4.863 1.00 0.00 C ATOM 875 O VAL A 80 3.685 8.487 5.516 1.00 0.00 O ATOM 876 CB VAL A 80 1.207 6.607 4.282 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.467 5.754 4.190 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.020 5.753 4.707 1.00 0.00 C ATOM 0 H VAL A 80 -0.465 8.455 4.585 1.00 0.00 H new ATOM 0 HA VAL A 80 1.529 7.383 6.262 1.00 0.00 H new ATOM 0 HB VAL A 80 1.004 7.020 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.299 4.930 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.295 6.366 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.709 5.355 5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.102 4.926 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.195 5.359 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.884 6.362 4.710 1.00 0.00 H new ATOM 888 N CYS A 81 2.523 9.367 3.806 1.00 0.00 N ATOM 889 CA CYS A 81 3.633 10.178 3.326 1.00 0.00 C ATOM 890 C CYS A 81 4.073 11.173 4.393 1.00 0.00 C ATOM 891 O CYS A 81 5.266 11.389 4.594 1.00 0.00 O ATOM 892 CB CYS A 81 3.237 10.924 2.051 1.00 0.00 C ATOM 893 SG CYS A 81 2.549 9.856 0.747 1.00 0.00 S ATOM 0 H CYS A 81 1.664 9.464 3.264 1.00 0.00 H new ATOM 0 HA CYS A 81 4.467 9.513 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.503 11.689 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.113 11.440 1.658 1.00 0.00 H new ATOM 898 N GLN A 82 3.104 11.756 5.094 1.00 0.00 N ATOM 899 CA GLN A 82 3.400 12.745 6.124 1.00 0.00 C ATOM 900 C GLN A 82 4.081 12.090 7.326 1.00 0.00 C ATOM 901 O GLN A 82 4.895 12.717 8.004 1.00 0.00 O ATOM 902 CB GLN A 82 2.124 13.475 6.559 1.00 0.00 C ATOM 903 CG GLN A 82 2.390 14.659 7.480 1.00 0.00 C ATOM 904 CD GLN A 82 3.292 15.704 6.844 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.272 15.908 5.631 1.00 0.00 O ATOM 906 NE2 GLN A 82 4.100 16.363 7.660 1.00 0.00 N ATOM 0 H GLN A 82 2.111 11.561 4.968 1.00 0.00 H new ATOM 0 HA GLN A 82 4.086 13.479 5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.594 13.825 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.466 12.770 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.442 15.121 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.849 14.301 8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.087 16.165 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.736 17.069 7.288 1.00 0.00 H new ATOM 915 N ARG A 83 3.765 10.823 7.578 1.00 0.00 N ATOM 916 CA ARG A 83 4.427 10.074 8.645 1.00 0.00 C ATOM 917 C ARG A 83 5.886 9.808 8.293 1.00 0.00 C ATOM 918 O ARG A 83 6.718 9.568 9.168 1.00 0.00 O ATOM 919 CB ARG A 83 3.706 8.751 8.922 1.00 0.00 C ATOM 920 CG ARG A 83 2.383 8.899 9.665 1.00 0.00 C ATOM 921 CD ARG A 83 2.571 9.476 11.067 1.00 0.00 C ATOM 922 NE ARG A 83 2.923 10.896 11.037 1.00 0.00 N ATOM 923 CZ ARG A 83 3.973 11.417 11.668 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.758 10.643 12.403 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.231 12.711 11.575 1.00 0.00 N ATOM 0 H ARG A 83 3.060 10.295 7.063 1.00 0.00 H new ATOM 0 HA ARG A 83 4.388 10.683 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.522 8.246 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.365 8.107 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.718 9.546 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.897 7.926 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.653 9.343 11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.353 8.920 11.585 1.00 0.00 H new ATOM 0 HE ARG A 83 2.327 11.525 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.558 9.646 12.486 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.562 11.044 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.624 13.313 11.018 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.036 13.107 12.060 1.00 0.00 H new ATOM 938 N LEU A 84 6.184 9.842 7.002 1.00 0.00 N ATOM 939 CA LEU A 84 7.552 9.701 6.519 1.00 0.00 C ATOM 940 C LEU A 84 8.167 11.075 6.253 1.00 0.00 C ATOM 941 O LEU A 84 9.254 11.182 5.688 1.00 0.00 O ATOM 942 CB LEU A 84 7.589 8.848 5.245 1.00 0.00 C ATOM 943 CG LEU A 84 7.599 7.328 5.459 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.351 6.853 6.189 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.725 6.617 4.124 1.00 0.00 C ATOM 0 H LEU A 84 5.491 9.967 6.264 1.00 0.00 H new ATOM 0 HA LEU A 84 8.138 9.199 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.724 9.104 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.476 9.121 4.673 1.00 0.00 H new ATOM 0 HG LEU A 84 8.459 7.085 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.396 5.772 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.294 7.336 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.468 7.111 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.731 5.539 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.881 6.884 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.654 6.917 3.638 1.00 0.00 H new ATOM 957 N ASN A 85 7.450 12.118 6.677 1.00 0.00 N ATOM 958 CA ASN A 85 7.879 13.509 6.499 1.00 0.00 C ATOM 959 C ASN A 85 8.030 13.878 5.027 1.00 0.00 C ATOM 960 O ASN A 85 8.920 14.642 4.649 1.00 0.00 O ATOM 961 CB ASN A 85 9.177 13.799 7.264 1.00 0.00 C ATOM 962 CG ASN A 85 8.937 14.003 8.747 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.650 15.114 9.192 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.070 12.943 9.526 1.00 0.00 N ATOM 0 H ASN A 85 6.554 12.023 7.154 1.00 0.00 H new ATOM 0 HA ASN A 85 7.090 14.135 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.873 12.972 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.650 14.689 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.934 13.030 10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.309 12.038 9.120 1.00 0.00 H new ATOM 971 N CYS A 86 7.145 13.346 4.202 1.00 0.00 N ATOM 972 CA CYS A 86 7.091 13.711 2.798 1.00 0.00 C ATOM 973 C CYS A 86 5.764 14.396 2.491 1.00 0.00 C ATOM 974 O CYS A 86 4.861 14.397 3.326 1.00 0.00 O ATOM 975 CB CYS A 86 7.312 12.486 1.906 1.00 0.00 C ATOM 976 SG CYS A 86 9.044 11.912 1.884 1.00 0.00 S ATOM 0 H CYS A 86 6.450 12.655 4.483 1.00 0.00 H new ATOM 0 HA CYS A 86 7.896 14.414 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.672 11.674 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.003 12.726 0.889 1.00 0.00 H new ATOM 981 N GLY A 87 5.658 14.991 1.312 1.00 0.00 N ATOM 982 CA GLY A 87 4.482 15.771 0.977 1.00 0.00 C ATOM 983 C GLY A 87 3.326 14.934 0.466 1.00 0.00 C ATOM 984 O GLY A 87 3.185 13.763 0.827 1.00 0.00 O ATOM 0 H GLY A 87 6.366 14.948 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.158 16.323 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.749 16.509 0.220 1.00 0.00 H new ATOM 988 N ASP A 88 2.507 15.544 -0.383 1.00 0.00 N ATOM 989 CA ASP A 88 1.311 14.900 -0.926 1.00 0.00 C ATOM 990 C ASP A 88 1.680 13.672 -1.756 1.00 0.00 C ATOM 991 O ASP A 88 2.810 13.548 -2.236 1.00 0.00 O ATOM 992 CB ASP A 88 0.525 15.886 -1.802 1.00 0.00 C ATOM 993 CG ASP A 88 0.083 17.132 -1.060 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.846 18.120 -1.051 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.036 17.143 -0.502 1.00 0.00 O ATOM 0 H ASP A 88 2.651 16.498 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 88 0.692 14.585 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.143 16.178 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.353 15.382 -2.205 1.00 0.00 H new ATOM 1000 N PRO A 89 0.736 12.734 -1.912 1.00 0.00 N ATOM 1001 CA PRO A 89 0.913 11.567 -2.763 1.00 0.00 C ATOM 1002 C PRO A 89 0.758 11.922 -4.238 1.00 0.00 C ATOM 1003 O PRO A 89 -0.325 12.298 -4.693 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.201 10.607 -2.323 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.870 11.258 -1.161 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.571 12.722 -1.262 1.00 0.00 C ATOM 0 HA PRO A 89 1.910 11.137 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.909 10.433 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.208 9.636 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.945 11.079 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.498 10.850 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.322 13.250 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.541 13.199 -0.282 1.00 0.00 H new ATOM 1014 N LEU A 90 1.850 11.795 -4.970 1.00 0.00 N ATOM 1015 CA LEU A 90 1.890 12.127 -6.384 1.00 0.00 C ATOM 1016 C LEU A 90 1.123 11.075 -7.180 1.00 0.00 C ATOM 1017 O LEU A 90 0.378 11.390 -8.111 1.00 0.00 O ATOM 1018 CB LEU A 90 3.353 12.192 -6.844 1.00 0.00 C ATOM 1019 CG LEU A 90 3.651 13.101 -8.041 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.152 13.309 -8.182 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.086 12.519 -9.328 1.00 0.00 C ATOM 0 H LEU A 90 2.738 11.457 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 90 1.422 13.097 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.961 12.524 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.678 11.182 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 90 3.169 14.062 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.351 13.957 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.542 13.773 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.640 12.346 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.313 13.186 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.534 11.543 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.005 12.411 -9.235 1.00 0.00 H new ATOM 1033 N SER A 91 1.304 9.822 -6.794 1.00 0.00 N ATOM 1034 CA SER A 91 0.663 8.715 -7.478 1.00 0.00 C ATOM 1035 C SER A 91 0.518 7.516 -6.553 1.00 0.00 C ATOM 1036 O SER A 91 1.302 7.335 -5.618 1.00 0.00 O ATOM 1037 CB SER A 91 1.467 8.334 -8.722 1.00 0.00 C ATOM 1038 OG SER A 91 2.834 8.132 -8.405 1.00 0.00 O ATOM 0 H SER A 91 1.892 9.548 -6.007 1.00 0.00 H new ATOM 0 HA SER A 91 -0.335 9.029 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.054 7.426 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.377 9.120 -9.472 1.00 0.00 H new ATOM 0 HG SER A 91 3.325 7.888 -9.217 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.499 6.710 -6.820 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.756 5.504 -6.054 1.00 0.00 C ATOM 1046 C LEU A 92 -1.395 4.480 -6.984 1.00 0.00 C ATOM 1047 O LEU A 92 -2.384 4.781 -7.652 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.699 5.809 -4.877 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.502 4.977 -3.597 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.528 5.373 -2.544 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.609 3.489 -3.882 1.00 0.00 C ATOM 0 H LEU A 92 -1.167 6.875 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 92 0.177 5.114 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.590 6.862 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.725 5.670 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.500 5.183 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.376 4.776 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.412 6.429 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.532 5.198 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.465 2.930 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.595 3.267 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.844 3.201 -4.603 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.825 3.292 -7.052 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.372 2.268 -7.921 1.00 0.00 C ATOM 1065 C GLY A 93 -0.382 1.156 -8.183 1.00 0.00 C ATOM 1066 O GLY A 93 0.535 0.955 -7.392 1.00 0.00 O ATOM 0 H GLY A 93 0.003 3.015 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.272 1.852 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.670 2.718 -8.868 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.544 0.407 -9.282 1.00 0.00 N ATOM 1071 CA PRO A 94 0.380 -0.668 -9.646 1.00 0.00 C ATOM 1072 C PRO A 94 1.768 -0.134 -9.998 1.00 0.00 C ATOM 1073 O PRO A 94 1.917 0.675 -10.918 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.268 -1.315 -10.879 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.676 -0.823 -10.889 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.643 0.535 -10.249 1.00 0.00 C ATOM 0 HA PRO A 94 0.532 -1.364 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.254 -1.030 -11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.232 -2.403 -10.817 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.062 -0.766 -11.907 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.330 -1.499 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.452 1.322 -10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.587 0.776 -9.760 1.00 0.00 H new ATOM 1084 N PHE A 95 2.775 -0.581 -9.262 1.00 0.00 N ATOM 1085 CA PHE A 95 4.144 -0.151 -9.494 1.00 0.00 C ATOM 1086 C PHE A 95 5.070 -1.360 -9.470 1.00 0.00 C ATOM 1087 O PHE A 95 5.159 -2.045 -8.449 1.00 0.00 O ATOM 1088 CB PHE A 95 4.571 0.852 -8.421 1.00 0.00 C ATOM 1089 CG PHE A 95 5.846 1.586 -8.736 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.846 2.650 -9.625 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.043 1.217 -8.139 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.014 3.332 -9.909 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.212 1.894 -8.422 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.198 2.952 -9.307 1.00 0.00 C ATOM 0 H PHE A 95 2.667 -1.245 -8.495 1.00 0.00 H new ATOM 0 HA PHE A 95 4.205 0.332 -10.469 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.771 1.579 -8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.693 0.325 -7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.924 2.949 -10.101 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.060 0.390 -7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.001 4.161 -10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.137 1.596 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.112 3.483 -9.529 1.00 0.00 H new ATOM 1104 N LEU A 96 5.742 -1.609 -10.597 1.00 0.00 N ATOM 1105 CA LEU A 96 6.652 -2.751 -10.755 1.00 0.00 C ATOM 1106 C LEU A 96 5.886 -4.072 -10.827 1.00 0.00 C ATOM 1107 O LEU A 96 5.105 -4.419 -9.939 1.00 0.00 O ATOM 1108 CB LEU A 96 7.701 -2.799 -9.634 1.00 0.00 C ATOM 1109 CG LEU A 96 8.688 -1.629 -9.611 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.738 -1.835 -8.528 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.346 -1.460 -10.973 1.00 0.00 C ATOM 0 H LEU A 96 5.671 -1.024 -11.429 1.00 0.00 H new ATOM 0 HA LEU A 96 7.176 -2.610 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.183 -2.835 -8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.265 -3.727 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 96 8.136 -0.717 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.430 -0.993 -8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.250 -1.904 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.287 -2.756 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.044 -0.624 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.884 -2.372 -11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.581 -1.263 -11.725 1.00 0.00 H new ATOM 1123 N LYS A 97 6.118 -4.808 -11.900 1.00 0.00 N ATOM 1124 CA LYS A 97 5.487 -6.105 -12.085 1.00 0.00 C ATOM 1125 C LYS A 97 6.310 -7.193 -11.406 1.00 0.00 C ATOM 1126 O LYS A 97 6.873 -8.070 -12.061 1.00 0.00 O ATOM 1127 CB LYS A 97 5.319 -6.419 -13.575 1.00 0.00 C ATOM 1128 CG LYS A 97 4.285 -5.553 -14.279 1.00 0.00 C ATOM 1129 CD LYS A 97 4.172 -5.915 -15.749 1.00 0.00 C ATOM 1130 CE LYS A 97 3.027 -5.173 -16.417 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.919 -5.512 -17.859 1.00 0.00 N ATOM 0 H LYS A 97 6.740 -4.529 -12.659 1.00 0.00 H new ATOM 0 HA LYS A 97 4.498 -6.074 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.281 -6.295 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.036 -7.466 -13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.315 -5.676 -13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.559 -4.503 -14.181 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.107 -5.677 -16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.019 -6.989 -15.850 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.092 -5.419 -15.914 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.176 -4.099 -16.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.127 -4.987 -18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.802 -5.254 -18.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.752 -6.533 -17.964 1.00 0.00 H new ATOM 1144 N THR A 98 6.385 -7.112 -10.087 1.00 0.00 N ATOM 1145 CA THR A 98 7.125 -8.079 -9.296 1.00 0.00 C ATOM 1146 C THR A 98 6.362 -9.399 -9.217 1.00 0.00 C ATOM 1147 O THR A 98 6.947 -10.470 -9.378 1.00 0.00 O ATOM 1148 CB THR A 98 7.351 -7.539 -7.875 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.637 -6.137 -7.934 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.499 -8.262 -7.188 1.00 0.00 C ATOM 0 H THR A 98 5.937 -6.378 -9.538 1.00 0.00 H new ATOM 0 HA THR A 98 8.088 -8.250 -9.778 1.00 0.00 H new ATOM 0 HB THR A 98 6.443 -7.710 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.835 -5.629 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.635 -7.858 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.272 -9.326 -7.123 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.414 -8.121 -7.763 1.00 0.00 H new ATOM 1158 N TYR A 99 5.052 -9.303 -8.989 1.00 0.00 N ATOM 1159 CA TYR A 99 4.176 -10.473 -8.898 1.00 0.00 C ATOM 1160 C TYR A 99 4.696 -11.489 -7.888 1.00 0.00 C ATOM 1161 O TYR A 99 5.102 -12.598 -8.244 1.00 0.00 O ATOM 1162 CB TYR A 99 3.994 -11.127 -10.271 1.00 0.00 C ATOM 1163 CG TYR A 99 3.304 -10.230 -11.272 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.066 -9.669 -10.985 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.895 -9.921 -12.492 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.434 -8.838 -11.883 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.270 -9.085 -13.394 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.040 -8.546 -13.082 1.00 0.00 C ATOM 1169 OH TYR A 99 1.415 -7.702 -13.967 1.00 0.00 O ATOM 0 H TYR A 99 4.568 -8.414 -8.862 1.00 0.00 H new ATOM 0 HA TYR A 99 3.205 -10.124 -8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.970 -11.413 -10.662 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.416 -12.044 -10.156 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.591 -9.889 -10.040 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.859 -10.342 -12.737 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.468 -8.418 -11.647 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.741 -8.854 -14.338 1.00 0.00 H new ATOM 0 HH TYR A 99 0.957 -6.991 -13.473 1.00 0.00 H new ATOM 1179 N THR A 100 4.689 -11.096 -6.626 1.00 0.00 N ATOM 1180 CA THR A 100 5.048 -11.988 -5.539 1.00 0.00 C ATOM 1181 C THR A 100 3.894 -12.051 -4.540 1.00 0.00 C ATOM 1182 O THR A 100 3.917 -11.390 -3.500 1.00 0.00 O ATOM 1183 CB THR A 100 6.338 -11.514 -4.837 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.339 -11.229 -5.824 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.863 -12.572 -3.875 1.00 0.00 C ATOM 0 H THR A 100 4.436 -10.154 -6.328 1.00 0.00 H new ATOM 0 HA THR A 100 5.236 -12.982 -5.945 1.00 0.00 H new ATOM 0 HB THR A 100 6.107 -10.616 -4.265 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.159 -10.926 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.772 -12.209 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.110 -12.778 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.083 -13.487 -4.425 1.00 0.00 H new ATOM 1193 N PRO A 101 2.866 -12.858 -4.851 1.00 0.00 N ATOM 1194 CA PRO A 101 1.611 -12.884 -4.089 1.00 0.00 C ATOM 1195 C PRO A 101 1.768 -13.452 -2.681 1.00 0.00 C ATOM 1196 O PRO A 101 0.860 -13.351 -1.859 1.00 0.00 O ATOM 1197 CB PRO A 101 0.699 -13.775 -4.931 1.00 0.00 C ATOM 1198 CG PRO A 101 1.622 -14.646 -5.705 1.00 0.00 C ATOM 1199 CD PRO A 101 2.848 -13.819 -5.971 1.00 0.00 C ATOM 0 HA PRO A 101 1.224 -11.877 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.033 -14.366 -4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.068 -13.181 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.873 -15.545 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.161 -14.971 -6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.749 -14.432 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.789 -13.312 -6.934 1.00 0.00 H new ATOM 1207 N GLN A 102 2.920 -14.045 -2.404 1.00 0.00 N ATOM 1208 CA GLN A 102 3.205 -14.555 -1.069 1.00 0.00 C ATOM 1209 C GLN A 102 3.618 -13.403 -0.154 1.00 0.00 C ATOM 1210 O GLN A 102 3.616 -13.524 1.072 1.00 0.00 O ATOM 1211 CB GLN A 102 4.310 -15.615 -1.123 1.00 0.00 C ATOM 1212 CG GLN A 102 4.506 -16.372 0.186 1.00 0.00 C ATOM 1213 CD GLN A 102 5.607 -17.412 0.101 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.872 -17.965 -0.965 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.250 -17.693 1.224 1.00 0.00 N ATOM 0 H GLN A 102 3.670 -14.185 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 102 2.304 -15.021 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.076 -16.329 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.249 -15.133 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.742 -15.663 0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.571 -16.860 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.001 -17.212 2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.995 -18.390 1.225 1.00 0.00 H new ATOM 1224 N SER A 103 3.974 -12.281 -0.765 1.00 0.00 N ATOM 1225 CA SER A 103 4.379 -11.100 -0.022 1.00 0.00 C ATOM 1226 C SER A 103 3.343 -9.989 -0.155 1.00 0.00 C ATOM 1227 O SER A 103 3.147 -9.200 0.770 1.00 0.00 O ATOM 1228 CB SER A 103 5.742 -10.619 -0.516 1.00 0.00 C ATOM 1229 OG SER A 103 6.704 -11.657 -0.420 1.00 0.00 O ATOM 0 H SER A 103 3.990 -12.166 -1.778 1.00 0.00 H new ATOM 0 HA SER A 103 4.454 -11.364 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.662 -10.285 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.066 -9.761 0.073 1.00 0.00 H new ATOM 0 HG SER A 103 7.570 -11.331 -0.742 1.00 0.00 H new ATOM 1235 N SER A 104 2.685 -9.929 -1.309 1.00 0.00 N ATOM 1236 CA SER A 104 1.665 -8.923 -1.556 1.00 0.00 C ATOM 1237 C SER A 104 0.284 -9.451 -1.165 1.00 0.00 C ATOM 1238 O SER A 104 -0.179 -10.460 -1.700 1.00 0.00 O ATOM 1239 CB SER A 104 1.681 -8.510 -3.031 1.00 0.00 C ATOM 1240 OG SER A 104 1.439 -9.624 -3.873 1.00 0.00 O ATOM 0 H SER A 104 2.843 -10.568 -2.088 1.00 0.00 H new ATOM 0 HA SER A 104 1.883 -8.048 -0.944 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.924 -7.746 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.645 -8.066 -3.278 1.00 0.00 H new ATOM 0 HG SER A 104 0.531 -9.568 -4.237 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.364 -8.765 -0.239 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.666 -9.184 0.256 1.00 0.00 C ATOM 1248 C ILE A 105 -2.773 -8.294 -0.306 1.00 0.00 C ATOM 1249 O ILE A 105 -2.551 -7.117 -0.594 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.722 -9.159 1.805 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.396 -7.752 2.328 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.770 -10.198 2.392 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.420 -7.630 3.837 1.00 0.00 C ATOM 0 H ILE A 105 -0.008 -7.910 0.188 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.821 -10.209 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.733 -9.413 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.409 -7.462 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.110 -7.045 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.823 -10.166 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.055 -11.191 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.249 -9.980 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.179 -6.606 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.413 -7.886 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.685 -8.310 4.269 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.956 -8.863 -0.473 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.105 -8.113 -0.964 1.00 0.00 C ATOM 1267 C ILE A 106 -6.109 -7.892 0.159 1.00 0.00 C ATOM 1268 O ILE A 106 -6.580 -8.843 0.782 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.790 -8.813 -2.166 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.023 -8.505 -3.453 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.251 -8.392 -2.297 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.629 -9.126 -4.695 1.00 0.00 C ATOM 0 H ILE A 106 -4.148 -9.845 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.738 -7.149 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.774 -9.889 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.976 -7.424 -3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.997 -8.858 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.701 -8.901 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.790 -8.660 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.307 -7.314 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.028 -8.861 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.651 -10.210 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.645 -8.754 -4.829 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.423 -6.637 0.417 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.342 -6.290 1.489 1.00 0.00 C ATOM 1286 C CYS A 107 -8.734 -6.015 0.940 1.00 0.00 C ATOM 1287 O CYS A 107 -8.884 -5.484 -0.161 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.817 -5.077 2.259 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.167 -5.337 2.987 1.00 0.00 S ATOM 0 H CYS A 107 -6.056 -5.838 -0.101 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.411 -7.136 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.778 -4.219 1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.521 -4.828 3.053 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.749 -6.393 1.701 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.128 -6.180 1.297 1.00 0.00 C ATOM 1296 C TYR A 108 -11.806 -5.208 2.255 1.00 0.00 C ATOM 1297 O TYR A 108 -11.509 -5.204 3.450 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.899 -7.502 1.285 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.301 -8.573 0.403 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.544 -8.590 -0.964 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.508 -9.578 0.942 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.009 -9.575 -1.771 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.972 -10.567 0.143 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.225 -10.562 -1.212 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.696 -11.552 -2.011 1.00 0.00 O ATOM 0 H TYR A 108 -9.642 -6.851 2.606 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.129 -5.763 0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.958 -7.882 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.920 -7.308 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.161 -7.820 -1.403 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.308 -9.585 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.204 -9.572 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.357 -11.341 0.577 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.167 -12.168 -1.462 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.718 -4.397 1.738 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.423 -3.454 2.581 1.00 0.00 C ATOM 1317 C GLY A 109 -13.262 -2.023 2.116 1.00 0.00 C ATOM 1318 O GLY A 109 -13.046 -1.769 0.928 1.00 0.00 O ATOM 0 H GLY A 109 -12.982 -4.375 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.483 -3.709 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.057 -3.543 3.604 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.368 -1.095 3.054 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.279 0.329 2.759 1.00 0.00 C ATOM 1324 C GLN A 110 -11.839 0.739 2.475 1.00 0.00 C ATOM 1325 O GLN A 110 -10.902 0.184 3.047 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.831 1.132 3.939 1.00 0.00 C ATOM 1327 CG GLN A 110 -13.937 2.626 3.673 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.774 2.938 2.448 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.255 3.043 1.337 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.076 3.070 2.639 1.00 0.00 N ATOM 0 H GLN A 110 -13.518 -1.306 4.041 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.871 0.537 1.868 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.818 0.748 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.190 0.972 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.374 3.117 4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.937 3.041 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.466 2.975 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.690 3.266 1.849 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.679 1.718 1.587 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.365 2.240 1.220 1.00 0.00 C ATOM 1341 C LEU A 111 -9.585 2.682 2.454 1.00 0.00 C ATOM 1342 O LEU A 111 -9.917 3.685 3.089 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.518 3.422 0.258 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.219 4.161 -0.092 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.296 3.280 -0.926 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.529 5.457 -0.822 1.00 0.00 C ATOM 0 H LEU A 111 -12.454 2.171 1.103 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.811 1.440 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.970 3.060 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.215 4.136 0.696 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.702 4.401 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.383 3.828 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.045 2.381 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.799 3.000 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.598 5.970 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.071 5.236 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.141 6.096 -0.185 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.552 1.923 2.788 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.730 2.252 3.933 1.00 0.00 C ATOM 1360 C GLY A 112 -7.871 1.240 5.049 1.00 0.00 C ATOM 1361 O GLY A 112 -7.076 1.230 5.989 1.00 0.00 O ATOM 0 H GLY A 112 -8.268 1.083 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.686 2.307 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.005 3.239 4.304 1.00 0.00 H new ATOM 1365 N SER A 113 -8.885 0.392 4.950 1.00 0.00 N ATOM 1366 CA SER A 113 -9.117 -0.637 5.947 1.00 0.00 C ATOM 1367 C SER A 113 -8.350 -1.914 5.605 1.00 0.00 C ATOM 1368 O SER A 113 -8.553 -2.518 4.553 1.00 0.00 O ATOM 1369 CB SER A 113 -10.615 -0.925 6.067 1.00 0.00 C ATOM 1370 OG SER A 113 -11.327 0.249 6.427 1.00 0.00 O ATOM 0 H SER A 113 -9.561 0.399 4.186 1.00 0.00 H new ATOM 0 HA SER A 113 -8.751 -0.274 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.993 -1.309 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.782 -1.701 6.814 1.00 0.00 H new ATOM 0 HG SER A 113 -12.252 0.015 6.652 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.459 -2.303 6.500 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.664 -3.513 6.345 1.00 0.00 C ATOM 1378 C PHE A 114 -7.176 -4.580 7.306 1.00 0.00 C ATOM 1379 O PHE A 114 -6.441 -5.476 7.723 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.188 -3.219 6.635 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.568 -2.199 5.715 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.011 -2.584 4.506 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.539 -0.855 6.063 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.438 -1.653 3.663 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.966 0.080 5.222 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.415 -0.320 4.021 1.00 0.00 C ATOM 0 H PHE A 114 -7.264 -1.788 7.359 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.754 -3.871 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.094 -2.869 7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.623 -4.148 6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.025 -3.625 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.969 -0.537 7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.008 -1.967 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.949 1.122 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.967 0.409 3.362 1.00 0.00 H new ATOM 1396 N SER A 115 -8.448 -4.459 7.655 1.00 0.00 N ATOM 1397 CA SER A 115 -9.084 -5.334 8.629 1.00 0.00 C ATOM 1398 C SER A 115 -9.142 -6.777 8.134 1.00 0.00 C ATOM 1399 O SER A 115 -8.921 -7.721 8.897 1.00 0.00 O ATOM 1400 CB SER A 115 -10.490 -4.811 8.907 1.00 0.00 C ATOM 1401 OG SER A 115 -11.135 -4.466 7.693 1.00 0.00 O ATOM 0 H SER A 115 -9.070 -3.749 7.269 1.00 0.00 H new ATOM 0 HA SER A 115 -8.494 -5.333 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.070 -5.570 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.439 -3.940 9.560 1.00 0.00 H new ATOM 0 HG SER A 115 -12.037 -4.134 7.885 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.445 -6.940 6.858 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.527 -8.258 6.252 1.00 0.00 C ATOM 1409 C ASN A 116 -8.668 -8.315 4.999 1.00 0.00 C ATOM 1410 O ASN A 116 -9.107 -7.935 3.912 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.983 -8.601 5.913 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.134 -9.963 5.260 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.368 -10.888 5.533 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.123 -10.094 4.386 1.00 0.00 N ATOM 0 H ASN A 116 -9.640 -6.170 6.217 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.154 -8.992 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.579 -8.573 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.385 -7.838 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.271 -10.985 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.736 -9.303 4.187 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.434 -8.760 5.157 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.546 -8.918 4.023 1.00 0.00 C ATOM 1423 C CYS A 117 -6.216 -10.389 3.810 1.00 0.00 C ATOM 1424 O CYS A 117 -5.987 -11.134 4.766 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.263 -8.114 4.223 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.540 -6.375 4.693 1.00 0.00 S ATOM 0 H CYS A 117 -7.027 -9.017 6.056 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.055 -8.539 3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.661 -8.596 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.682 -8.142 3.301 1.00 0.00 H new ATOM 1431 N SER A 118 -6.192 -10.795 2.556 1.00 0.00 N ATOM 1432 CA SER A 118 -5.965 -12.181 2.189 1.00 0.00 C ATOM 1433 C SER A 118 -4.644 -12.322 1.440 1.00 0.00 C ATOM 1434 O SER A 118 -4.242 -11.421 0.700 1.00 0.00 O ATOM 1435 CB SER A 118 -7.124 -12.671 1.316 1.00 0.00 C ATOM 1436 OG SER A 118 -6.970 -14.033 0.955 1.00 0.00 O ATOM 0 H SER A 118 -6.330 -10.172 1.760 1.00 0.00 H new ATOM 0 HA SER A 118 -5.912 -12.788 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.064 -12.541 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.184 -12.060 0.415 1.00 0.00 H new ATOM 0 HG SER A 118 -7.728 -14.312 0.400 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.960 -13.442 1.647 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.737 -13.719 0.910 1.00 0.00 C ATOM 1444 C HIS A 119 -3.094 -14.255 -0.471 1.00 0.00 C ATOM 1445 O HIS A 119 -3.804 -15.255 -0.592 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.813 -14.697 1.669 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.358 -16.087 1.859 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.775 -17.208 1.305 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -3.422 -16.534 2.567 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -2.456 -18.282 1.661 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -3.462 -17.900 2.429 1.00 0.00 N ATOM 0 H HIS A 119 -4.230 -14.166 2.313 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.179 -12.789 0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.867 -14.767 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.593 -14.275 2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.112 -15.928 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.230 -19.298 1.374 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.155 -18.519 2.850 1.00 0.00 H new ATOM 1459 N SER A 120 -2.623 -13.572 -1.501 1.00 0.00 N ATOM 1460 CA SER A 120 -2.991 -13.907 -2.865 1.00 0.00 C ATOM 1461 C SER A 120 -2.381 -15.235 -3.288 1.00 0.00 C ATOM 1462 O SER A 120 -1.179 -15.461 -3.131 1.00 0.00 O ATOM 1463 CB SER A 120 -2.547 -12.796 -3.822 1.00 0.00 C ATOM 1464 OG SER A 120 -2.905 -13.095 -5.163 1.00 0.00 O ATOM 0 H SER A 120 -1.984 -12.781 -1.418 1.00 0.00 H new ATOM 0 HA SER A 120 -4.076 -14.002 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.004 -11.852 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.467 -12.664 -3.753 1.00 0.00 H new ATOM 0 HG SER A 120 -2.099 -13.310 -5.677 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.218 -16.118 -3.806 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.751 -17.364 -4.380 1.00 0.00 C ATOM 1472 C ARG A 121 -2.878 -17.292 -5.899 1.00 0.00 C ATOM 1473 O ARG A 121 -3.150 -18.283 -6.577 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.534 -18.546 -3.806 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.866 -19.897 -4.018 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.464 -19.937 -3.426 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.451 -19.410 -4.346 1.00 0.00 N ATOM 1478 CZ ARG A 121 0.403 -18.436 -4.036 1.00 0.00 C ATOM 1479 NH1 ARG A 121 0.306 -17.808 -2.874 1.00 0.00 N ATOM 1480 NH2 ARG A 121 1.336 -18.073 -4.899 1.00 0.00 N ATOM 0 H ARG A 121 -4.230 -15.992 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.703 -17.517 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.678 -18.388 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.524 -18.567 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.475 -20.678 -3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.816 -20.114 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.447 -19.359 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.213 -20.965 -3.164 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.397 -19.814 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.425 -18.070 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.962 -17.063 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.403 -18.539 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.989 -17.327 -4.660 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.695 -16.086 -6.418 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.699 -15.849 -7.853 1.00 0.00 C ATOM 1495 C ASN A 122 -1.518 -14.958 -8.219 1.00 0.00 C ATOM 1496 O ASN A 122 -1.260 -13.955 -7.548 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.014 -15.196 -8.294 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.109 -15.041 -9.800 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.543 -15.832 -10.553 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.816 -14.019 -10.251 1.00 0.00 N ATOM 0 H ASN A 122 -2.540 -15.248 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.609 -16.804 -8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.851 -15.798 -7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.105 -14.216 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.907 -13.865 -11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.271 -13.384 -9.595 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.808 -15.311 -9.283 1.00 0.00 N ATOM 1508 CA ASP A 123 0.439 -14.630 -9.631 1.00 0.00 C ATOM 1509 C ASP A 123 0.184 -13.373 -10.456 1.00 0.00 C ATOM 1510 O ASP A 123 1.093 -12.842 -11.090 1.00 0.00 O ATOM 1511 CB ASP A 123 1.377 -15.572 -10.394 1.00 0.00 C ATOM 1512 CG ASP A 123 1.789 -16.781 -9.574 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.076 -17.808 -9.620 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.829 -16.712 -8.884 1.00 0.00 O ATOM 0 H ASP A 123 -1.071 -16.063 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 123 0.915 -14.332 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.884 -15.908 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.269 -15.023 -10.697 1.00 0.00 H new ATOM 1519 N MET A 124 -1.050 -12.892 -10.437 1.00 0.00 N ATOM 1520 CA MET A 124 -1.408 -11.681 -11.166 1.00 0.00 C ATOM 1521 C MET A 124 -1.609 -10.521 -10.198 1.00 0.00 C ATOM 1522 O MET A 124 -2.287 -9.543 -10.505 1.00 0.00 O ATOM 1523 CB MET A 124 -2.677 -11.902 -11.999 1.00 0.00 C ATOM 1524 CG MET A 124 -2.543 -13.000 -13.045 1.00 0.00 C ATOM 1525 SD MET A 124 -4.024 -13.185 -14.055 1.00 0.00 S ATOM 1526 CE MET A 124 -4.096 -11.574 -14.836 1.00 0.00 C ATOM 0 H MET A 124 -1.821 -13.320 -9.925 1.00 0.00 H new ATOM 0 HA MET A 124 -0.591 -11.436 -11.844 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.501 -12.150 -11.330 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.940 -10.969 -12.497 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.693 -12.779 -13.691 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.327 -13.946 -12.547 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.670 -11.643 -15.760 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.576 -10.864 -14.162 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.085 -11.233 -15.062 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.002 -10.635 -9.027 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.119 -9.602 -8.008 1.00 0.00 C ATOM 1538 C CYS A 125 -0.101 -8.500 -8.279 1.00 0.00 C ATOM 1539 O CYS A 125 1.100 -8.685 -8.075 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.900 -10.196 -6.614 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.992 -9.514 -5.323 1.00 0.00 S ATOM 0 H CYS A 125 -0.424 -11.431 -8.758 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.123 -9.180 -8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.048 -11.275 -6.665 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.137 -10.030 -6.321 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.584 -7.363 -8.764 1.00 0.00 N ATOM 1547 CA HIS A 126 0.291 -6.252 -9.126 1.00 0.00 C ATOM 1548 C HIS A 126 0.735 -5.508 -7.867 1.00 0.00 C ATOM 1549 O HIS A 126 -0.103 -5.106 -7.054 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.422 -5.272 -10.073 1.00 0.00 C ATOM 1551 CG HIS A 126 -1.170 -5.912 -11.209 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.605 -6.204 -12.436 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -2.466 -6.295 -11.301 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.520 -6.734 -13.227 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -2.658 -6.799 -12.561 1.00 0.00 N ATOM 0 H HIS A 126 -1.577 -7.185 -8.916 1.00 0.00 H new ATOM 0 HA HIS A 126 1.161 -6.661 -9.640 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.121 -4.672 -9.490 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.318 -4.587 -10.486 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -3.212 -6.217 -10.524 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.364 -7.059 -14.245 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -3.538 -7.165 -12.925 1.00 0.00 H new ATOM 1563 N SER A 127 2.045 -5.337 -7.709 1.00 0.00 N ATOM 1564 CA SER A 127 2.604 -4.644 -6.553 1.00 0.00 C ATOM 1565 C SER A 127 2.058 -3.217 -6.455 1.00 0.00 C ATOM 1566 O SER A 127 1.961 -2.510 -7.461 1.00 0.00 O ATOM 1567 CB SER A 127 4.132 -4.610 -6.663 1.00 0.00 C ATOM 1568 OG SER A 127 4.656 -5.903 -6.933 1.00 0.00 O ATOM 0 H SER A 127 2.743 -5.672 -8.373 1.00 0.00 H new ATOM 0 HA SER A 127 2.314 -5.184 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.427 -3.922 -7.455 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.558 -4.229 -5.735 1.00 0.00 H new ATOM 0 HG SER A 127 5.381 -6.100 -6.304 1.00 0.00 H new ATOM 1574 N LEU A 128 1.687 -2.807 -5.248 1.00 0.00 N ATOM 1575 CA LEU A 128 1.159 -1.468 -5.028 1.00 0.00 C ATOM 1576 C LEU A 128 2.290 -0.493 -4.723 1.00 0.00 C ATOM 1577 O LEU A 128 3.076 -0.703 -3.796 1.00 0.00 O ATOM 1578 CB LEU A 128 0.133 -1.485 -3.890 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.621 -0.173 -3.652 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.024 -0.458 -3.142 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.123 0.698 -2.649 1.00 0.00 C ATOM 0 H LEU A 128 1.742 -3.383 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 128 0.659 -1.134 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.596 -2.269 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.646 -1.760 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.686 0.360 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.549 0.483 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.565 -1.051 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.965 -1.010 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.428 1.625 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.213 0.166 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.117 0.927 -3.033 1.00 0.00 H new ATOM 1593 N GLY A 129 2.366 0.566 -5.513 1.00 0.00 N ATOM 1594 CA GLY A 129 3.384 1.571 -5.319 1.00 0.00 C ATOM 1595 C GLY A 129 2.796 2.896 -4.898 1.00 0.00 C ATOM 1596 O GLY A 129 1.717 3.278 -5.358 1.00 0.00 O ATOM 0 H GLY A 129 1.733 0.747 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.090 1.231 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.946 1.701 -6.244 1.00 0.00 H new ATOM 1600 N LEU A 130 3.499 3.592 -4.019 1.00 0.00 N ATOM 1601 CA LEU A 130 3.075 4.900 -3.559 1.00 0.00 C ATOM 1602 C LEU A 130 4.208 5.903 -3.729 1.00 0.00 C ATOM 1603 O LEU A 130 5.288 5.738 -3.158 1.00 0.00 O ATOM 1604 CB LEU A 130 2.641 4.833 -2.089 1.00 0.00 C ATOM 1605 CG LEU A 130 2.243 6.173 -1.456 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.052 6.781 -2.179 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.928 5.990 0.022 1.00 0.00 C ATOM 0 H LEU A 130 4.374 3.267 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 130 2.223 5.224 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.797 4.148 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.456 4.404 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 130 3.086 6.857 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.789 7.730 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.309 6.950 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.203 6.099 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.648 6.950 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.103 5.286 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.808 5.603 0.536 1.00 0.00 H new ATOM 1619 N THR A 131 3.970 6.922 -4.535 1.00 0.00 N ATOM 1620 CA THR A 131 4.949 7.972 -4.742 1.00 0.00 C ATOM 1621 C THR A 131 4.526 9.237 -4.014 1.00 0.00 C ATOM 1622 O THR A 131 3.551 9.881 -4.392 1.00 0.00 O ATOM 1623 CB THR A 131 5.130 8.288 -6.239 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.501 7.101 -6.952 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.185 9.365 -6.448 1.00 0.00 C ATOM 0 H THR A 131 3.103 7.044 -5.059 1.00 0.00 H new ATOM 0 HA THR A 131 5.899 7.615 -4.344 1.00 0.00 H new ATOM 0 HB THR A 131 4.180 8.659 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.612 7.312 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.292 9.568 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.881 10.277 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.139 9.023 -6.046 1.00 0.00 H new ATOM 1633 N CYS A 132 5.248 9.577 -2.964 1.00 0.00 N ATOM 1634 CA CYS A 132 4.982 10.794 -2.217 1.00 0.00 C ATOM 1635 C CYS A 132 5.960 11.876 -2.649 1.00 0.00 C ATOM 1636 O CYS A 132 7.054 11.572 -3.127 1.00 0.00 O ATOM 1637 CB CYS A 132 5.118 10.528 -0.714 1.00 0.00 C ATOM 1638 SG CYS A 132 4.193 9.067 -0.142 1.00 0.00 S ATOM 0 H CYS A 132 6.028 9.025 -2.606 1.00 0.00 H new ATOM 0 HA CYS A 132 3.964 11.128 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.173 10.397 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.771 11.404 -0.166 1.00 0.00 H new ATOM 1643 N LEU A 133 5.554 13.135 -2.517 1.00 0.00 N ATOM 1644 CA LEU A 133 6.439 14.253 -2.819 1.00 0.00 C ATOM 1645 C LEU A 133 7.590 14.287 -1.819 1.00 0.00 C ATOM 1646 O LEU A 133 7.472 14.855 -0.733 1.00 0.00 O ATOM 1647 CB LEU A 133 5.675 15.583 -2.802 1.00 0.00 C ATOM 1648 CG LEU A 133 5.076 16.029 -4.145 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.088 15.007 -4.682 1.00 0.00 C ATOM 1650 CD2 LEU A 133 4.402 17.381 -3.992 1.00 0.00 C ATOM 0 H LEU A 133 4.622 13.405 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 133 6.841 14.113 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.868 15.507 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.350 16.363 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 133 5.891 16.113 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.684 15.356 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.595 14.054 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.274 14.877 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.981 17.688 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 133 3.605 17.309 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.135 18.118 -3.665 1.00 0.00 H new ATOM 1662 N GLU A 134 8.689 13.648 -2.188 1.00 0.00 N ATOM 1663 CA GLU A 134 9.842 13.526 -1.313 1.00 0.00 C ATOM 1664 C GLU A 134 10.721 14.764 -1.431 1.00 0.00 C ATOM 1665 O GLU A 134 11.540 14.828 -2.374 1.00 0.00 O ATOM 1666 CB GLU A 134 10.645 12.269 -1.664 1.00 0.00 C ATOM 1667 CG GLU A 134 11.780 11.970 -0.699 1.00 0.00 C ATOM 1668 CD GLU A 134 12.634 10.810 -1.159 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.264 9.650 -0.887 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.679 11.056 -1.804 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.582 15.672 -0.582 1.00 0.00 O ATOM 0 H GLU A 134 8.806 13.202 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 134 9.494 13.439 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.969 11.414 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.055 12.381 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.404 12.857 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.368 11.747 0.285 1.00 0.00 H new