USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 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 180:sc= 1.04 USER MOD Set 1.2: A 127 SER OG : rot -167:sc= 1.75 USER MOD Set 2.1: A 104 SER OG : rot 76:sc= 1.13 USER MOD Set 2.2: A 120 SER OG : rot -75:sc= 1.91 USER MOD Set 3.1: A 113 SER OG : rot 180:sc= 0.94 USER MOD Set 3.2: A 115 SER OG : rot 90:sc= 0.997 USER MOD Set 4.1: A 102 GLN : amide:sc= -0.577 K(o=-0.1,f=-2.1) USER MOD Set 4.2: A 103 SER OG : rot -5:sc= 0.475 USER MOD Set 5.1: A 70 GLN : amide:sc= 0 X(o=-0.052,f=-0.41) USER MOD Set 5.2: A 91 SER OG : rot 180:sc= -0.0516 USER MOD Set 6.1: A 61 SER OG : rot -124:sc= -1.03 USER MOD Set 6.2: A 68 SER OG : rot -28:sc= 2.14 USER MOD Set 6.3: A 126 HIS : no HE2:sc= -0.0441 K(o=1.1,f=-7.3!) USER MOD Set 7.1: A 38 THR OG1 : rot 156:sc= 0.389 USER MOD Set 7.2: A 47 GLN : amide:sc= -0.225 K(o=0.16,f=-0.55) USER MOD Single : A 27 SER OG : rot -49:sc= 0.925 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 1.42 (180deg=1.21) USER MOD Single : A 45 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.66) 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= -0.801! C(o=-0.8!,f=-2.4!) USER MOD Single : A 58 MET CE :methyl 165:sc= -0.148 (180deg=-0.682) USER MOD Single : A 62 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.13) USER MOD Single : A 63 SER OG : rot -95:sc= 1.57 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc=-0.00772 (180deg=-0.122) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.327 F(o=-0.89,f=-0.33) USER MOD Single : A 78 SER OG : rot 76:sc= 1.22 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 2.01 (180deg=1.55) USER MOD Single : A 82 GLN : amide:sc= -0.859 K(o=-0.86,f=-5.6!) USER MOD Single : A 85 ASN : amide:sc= -0.348 K(o=-0.35,f=-0.98) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0.0108 F(o=-0.49,f=0.011) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= 0.149 F(o=-0.53,f=0.15) USER MOD Single : A 122 ASN : amide:sc= -0.474 K(o=-0.47,f=-7.3!) USER MOD Single : A 124 MET CE :methyl 168:sc= -0.0638 (180deg=-0.411) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.665 -2.083 11.510 1.00 0.00 N ATOM 24 CA LEU A 26 -7.392 -1.492 11.127 1.00 0.00 C ATOM 25 C LEU A 26 -7.576 -0.644 9.879 1.00 0.00 C ATOM 26 O LEU A 26 -8.177 -1.092 8.907 1.00 0.00 O ATOM 27 CB LEU A 26 -6.341 -2.574 10.850 1.00 0.00 C ATOM 28 CG LEU A 26 -5.925 -3.430 12.050 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.980 -4.532 11.608 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.263 -2.575 13.120 1.00 0.00 C ATOM 0 HA LEU A 26 -7.044 -0.872 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.725 -3.235 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.450 -2.092 10.447 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.822 -3.881 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.692 -5.133 12.471 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.478 -5.166 10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.090 -4.090 11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.976 -3.204 13.963 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.376 -2.096 12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.962 -1.811 13.459 1.00 0.00 H new ATOM 42 N SER A 27 -7.082 0.575 9.920 1.00 0.00 N ATOM 43 CA SER A 27 -7.102 1.451 8.765 1.00 0.00 C ATOM 44 C SER A 27 -5.790 2.214 8.696 1.00 0.00 C ATOM 45 O SER A 27 -5.132 2.419 9.716 1.00 0.00 O ATOM 46 CB SER A 27 -8.277 2.429 8.859 1.00 0.00 C ATOM 47 OG SER A 27 -8.188 3.233 10.022 1.00 0.00 O ATOM 0 H SER A 27 -6.657 0.987 10.751 1.00 0.00 H new ATOM 0 HA SER A 27 -7.225 0.854 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.294 3.066 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.215 1.874 8.870 1.00 0.00 H new ATOM 0 HG SER A 27 -8.014 2.664 10.801 1.00 0.00 H new ATOM 53 N TRP A 28 -5.408 2.637 7.499 1.00 0.00 N ATOM 54 CA TRP A 28 -4.155 3.356 7.321 1.00 0.00 C ATOM 55 C TRP A 28 -4.220 4.760 7.918 1.00 0.00 C ATOM 56 O TRP A 28 -3.251 5.516 7.853 1.00 0.00 O ATOM 57 CB TRP A 28 -3.742 3.411 5.840 1.00 0.00 C ATOM 58 CG TRP A 28 -4.755 4.011 4.898 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.816 4.819 5.206 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.775 3.859 3.471 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.495 5.167 4.063 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.875 4.591 2.985 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.968 3.172 2.557 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.189 4.653 1.626 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.280 3.237 1.210 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.380 3.974 0.756 1.00 0.00 C ATOM 0 H TRP A 28 -5.944 2.496 6.642 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.390 2.800 7.863 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.817 3.983 5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.519 2.397 5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.081 5.137 6.203 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.325 5.758 4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.117 2.601 2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.040 5.217 1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.664 2.710 0.497 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.594 4.007 -0.302 1.00 0.00 H new ATOM 77 N TYR A 29 -5.355 5.091 8.522 1.00 0.00 N ATOM 78 CA TYR A 29 -5.559 6.405 9.102 1.00 0.00 C ATOM 79 C TYR A 29 -5.262 6.379 10.598 1.00 0.00 C ATOM 80 O TYR A 29 -5.021 7.422 11.209 1.00 0.00 O ATOM 81 CB TYR A 29 -6.997 6.863 8.865 1.00 0.00 C ATOM 82 CG TYR A 29 -7.101 8.314 8.464 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.138 9.326 9.416 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.156 8.671 7.124 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.230 10.653 9.041 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.246 9.992 6.744 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.283 10.980 7.702 1.00 0.00 C ATOM 88 OH TYR A 29 -7.371 12.301 7.317 1.00 0.00 O ATOM 0 H TYR A 29 -6.150 4.460 8.621 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.876 7.107 8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.445 6.245 8.087 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.577 6.701 9.773 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.094 9.072 10.465 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.128 7.901 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.260 11.429 9.792 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.287 10.252 5.697 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.398 12.356 6.339 1.00 0.00 H new ATOM 98 N ASP A 30 -5.255 5.180 11.174 1.00 0.00 N ATOM 99 CA ASP A 30 -5.043 5.016 12.610 1.00 0.00 C ATOM 100 C ASP A 30 -3.627 5.417 13.003 1.00 0.00 C ATOM 101 O ASP A 30 -2.668 5.140 12.279 1.00 0.00 O ATOM 102 CB ASP A 30 -5.285 3.566 13.038 1.00 0.00 C ATOM 103 CG ASP A 30 -6.709 3.106 12.819 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.631 3.728 13.377 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.913 2.099 12.108 1.00 0.00 O ATOM 0 H ASP A 30 -5.394 4.306 10.667 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.756 5.666 13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.611 2.914 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.035 3.460 14.094 1.00 0.00 H new ATOM 110 N PRO A 31 -3.484 6.081 14.163 1.00 0.00 N ATOM 111 CA PRO A 31 -2.180 6.471 14.711 1.00 0.00 C ATOM 112 C PRO A 31 -1.344 5.257 15.103 1.00 0.00 C ATOM 113 O PRO A 31 -0.119 5.336 15.202 1.00 0.00 O ATOM 114 CB PRO A 31 -2.528 7.296 15.957 1.00 0.00 C ATOM 115 CG PRO A 31 -3.970 7.637 15.815 1.00 0.00 C ATOM 116 CD PRO A 31 -4.587 6.520 15.026 1.00 0.00 C ATOM 0 HA PRO A 31 -1.585 7.021 13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.347 6.726 16.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.915 8.196 16.016 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.445 7.733 16.791 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.096 8.591 15.303 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.940 5.716 15.672 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.444 6.861 14.445 1.00 0.00 H new ATOM 124 N ASP A 32 -2.022 4.140 15.336 1.00 0.00 N ATOM 125 CA ASP A 32 -1.356 2.887 15.682 1.00 0.00 C ATOM 126 C ASP A 32 -0.869 2.175 14.429 1.00 0.00 C ATOM 127 O ASP A 32 -0.019 1.283 14.499 1.00 0.00 O ATOM 128 CB ASP A 32 -2.300 1.957 16.452 1.00 0.00 C ATOM 129 CG ASP A 32 -2.712 2.514 17.796 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.949 2.348 18.770 1.00 0.00 O ATOM 131 OD2 ASP A 32 -3.806 3.113 17.886 1.00 0.00 O ATOM 0 H ASP A 32 -3.039 4.075 15.292 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.503 3.133 16.315 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.191 1.775 15.852 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.812 0.993 16.598 1.00 0.00 H new ATOM 136 N PHE A 33 -1.405 2.575 13.281 1.00 0.00 N ATOM 137 CA PHE A 33 -1.093 1.914 12.027 1.00 0.00 C ATOM 138 C PHE A 33 0.320 2.258 11.582 1.00 0.00 C ATOM 139 O PHE A 33 0.709 3.429 11.524 1.00 0.00 O ATOM 140 CB PHE A 33 -2.103 2.305 10.942 1.00 0.00 C ATOM 141 CG PHE A 33 -1.913 1.575 9.643 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.362 0.271 9.496 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.296 2.195 8.569 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.202 -0.399 8.300 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.132 1.529 7.372 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.586 0.231 7.236 1.00 0.00 C ATOM 0 H PHE A 33 -2.057 3.354 13.197 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.157 0.837 12.184 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.111 2.114 11.311 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.029 3.377 10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.842 -0.225 10.326 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.940 3.210 8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.558 -1.413 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.649 2.022 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.459 -0.290 6.299 1.00 0.00 H new ATOM 156 N GLN A 34 1.084 1.229 11.275 1.00 0.00 N ATOM 157 CA GLN A 34 2.460 1.394 10.851 1.00 0.00 C ATOM 158 C GLN A 34 2.622 0.937 9.413 1.00 0.00 C ATOM 159 O GLN A 34 2.124 -0.122 9.030 1.00 0.00 O ATOM 160 CB GLN A 34 3.386 0.607 11.778 1.00 0.00 C ATOM 161 CG GLN A 34 3.495 1.208 13.166 1.00 0.00 C ATOM 162 CD GLN A 34 4.042 0.233 14.181 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.255 0.125 14.371 1.00 0.00 O ATOM 164 NE2 GLN A 34 3.146 -0.472 14.853 1.00 0.00 N ATOM 0 H GLN A 34 0.771 0.259 11.312 1.00 0.00 H new ATOM 0 HA GLN A 34 2.729 2.449 10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.022 -0.417 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.379 0.557 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.139 2.086 13.128 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.511 1.548 13.489 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.152 -0.349 14.661 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.450 -1.139 15.563 1.00 0.00 H new ATOM 173 N ALA A 35 3.302 1.747 8.618 1.00 0.00 N ATOM 174 CA ALA A 35 3.519 1.434 7.219 1.00 0.00 C ATOM 175 C ALA A 35 4.821 2.044 6.737 1.00 0.00 C ATOM 176 O ALA A 35 5.332 2.996 7.334 1.00 0.00 O ATOM 177 CB ALA A 35 2.360 1.939 6.373 1.00 0.00 C ATOM 0 H ALA A 35 3.714 2.629 8.921 1.00 0.00 H new ATOM 0 HA ALA A 35 3.579 0.351 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.540 1.695 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.436 1.464 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.272 3.020 6.484 1.00 0.00 H new ATOM 183 N ARG A 36 5.358 1.484 5.671 1.00 0.00 N ATOM 184 CA ARG A 36 6.563 1.998 5.059 1.00 0.00 C ATOM 185 C ARG A 36 6.518 1.767 3.562 1.00 0.00 C ATOM 186 O ARG A 36 5.850 0.852 3.085 1.00 0.00 O ATOM 187 CB ARG A 36 7.812 1.321 5.637 1.00 0.00 C ATOM 188 CG ARG A 36 7.909 -0.169 5.329 1.00 0.00 C ATOM 189 CD ARG A 36 9.308 -0.709 5.600 1.00 0.00 C ATOM 190 NE ARG A 36 9.776 -0.396 6.950 1.00 0.00 N ATOM 191 CZ ARG A 36 11.054 -0.423 7.318 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.996 -0.709 6.430 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.400 -0.154 8.566 1.00 0.00 N ATOM 0 H ARG A 36 4.971 0.662 5.207 1.00 0.00 H new ATOM 0 HA ARG A 36 6.618 3.066 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.698 1.821 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.820 1.459 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.185 -0.714 5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.647 -0.343 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.311 -1.790 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.003 -0.291 4.872 1.00 0.00 H new ATOM 0 HE ARG A 36 9.081 -0.142 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.741 -0.909 5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.975 -0.729 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.684 0.077 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.382 -0.177 8.839 1.00 0.00 H new ATOM 206 N LEU A 37 7.198 2.618 2.828 1.00 0.00 N ATOM 207 CA LEU A 37 7.416 2.393 1.419 1.00 0.00 C ATOM 208 C LEU A 37 8.715 1.629 1.266 1.00 0.00 C ATOM 209 O LEU A 37 9.740 2.030 1.823 1.00 0.00 O ATOM 210 CB LEU A 37 7.465 3.724 0.672 1.00 0.00 C ATOM 211 CG LEU A 37 6.185 4.556 0.780 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.383 5.928 0.161 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.028 3.834 0.108 1.00 0.00 C ATOM 0 H LEU A 37 7.612 3.478 3.188 1.00 0.00 H new ATOM 0 HA LEU A 37 6.598 1.814 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.299 4.311 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.669 3.529 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 37 5.949 4.688 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.461 6.503 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.187 6.449 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.644 5.818 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.124 4.437 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.261 3.675 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.868 2.871 0.594 1.00 0.00 H new ATOM 225 N THR A 38 8.656 0.511 0.559 1.00 0.00 N ATOM 226 CA THR A 38 9.794 -0.382 0.447 1.00 0.00 C ATOM 227 C THR A 38 11.013 0.338 -0.114 1.00 0.00 C ATOM 228 O THR A 38 10.883 1.310 -0.864 1.00 0.00 O ATOM 229 CB THR A 38 9.462 -1.606 -0.426 1.00 0.00 C ATOM 230 OG1 THR A 38 8.959 -1.175 -1.695 1.00 0.00 O ATOM 231 CG2 THR A 38 8.434 -2.496 0.260 1.00 0.00 C ATOM 0 H THR A 38 7.827 0.201 0.053 1.00 0.00 H new ATOM 0 HA THR A 38 10.028 -0.726 1.454 1.00 0.00 H new ATOM 0 HB THR A 38 10.375 -2.182 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.110 -1.877 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.215 -3.354 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.831 -2.842 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.519 -1.929 0.432 1.00 0.00 H new ATOM 239 N ARG A 39 12.188 -0.162 0.264 1.00 0.00 N ATOM 240 CA ARG A 39 13.467 0.457 -0.083 1.00 0.00 C ATOM 241 C ARG A 39 13.503 0.902 -1.542 1.00 0.00 C ATOM 242 O ARG A 39 13.692 2.088 -1.813 1.00 0.00 O ATOM 243 CB ARG A 39 14.612 -0.511 0.225 1.00 0.00 C ATOM 244 CG ARG A 39 14.877 -0.670 1.717 1.00 0.00 C ATOM 245 CD ARG A 39 15.397 -2.056 2.054 1.00 0.00 C ATOM 246 NE ARG A 39 14.363 -3.083 1.904 1.00 0.00 N ATOM 247 CZ ARG A 39 14.620 -4.350 1.591 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.871 -4.738 1.387 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.634 -5.230 1.480 1.00 0.00 N ATOM 0 H ARG A 39 12.281 -1.011 0.822 1.00 0.00 H new ATOM 0 HA ARG A 39 13.588 1.354 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.380 -1.486 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.520 -0.157 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.602 0.078 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.957 -0.482 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.241 -2.294 1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.770 -2.064 3.078 1.00 0.00 H new ATOM 0 HE ARG A 39 13.391 -2.811 2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.633 -4.066 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.071 -5.709 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.669 -4.937 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.840 -6.200 1.240 1.00 0.00 H new ATOM 262 N SER A 40 13.318 -0.052 -2.458 1.00 0.00 N ATOM 263 CA SER A 40 13.157 0.231 -3.891 1.00 0.00 C ATOM 264 C SER A 40 14.237 1.183 -4.434 1.00 0.00 C ATOM 265 O SER A 40 15.326 0.751 -4.823 1.00 0.00 O ATOM 266 CB SER A 40 11.750 0.799 -4.146 1.00 0.00 C ATOM 267 OG SER A 40 11.478 0.936 -5.531 1.00 0.00 O ATOM 0 H SER A 40 13.275 -1.045 -2.229 1.00 0.00 H new ATOM 0 HA SER A 40 13.279 -0.708 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.006 0.143 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.657 1.770 -3.660 1.00 0.00 H new ATOM 0 HG SER A 40 10.575 1.298 -5.653 1.00 0.00 H new ATOM 273 N ASN A 41 13.930 2.476 -4.446 1.00 0.00 N ATOM 274 CA ASN A 41 14.848 3.491 -4.955 1.00 0.00 C ATOM 275 C ASN A 41 14.832 4.715 -4.045 1.00 0.00 C ATOM 276 O ASN A 41 15.874 5.302 -3.753 1.00 0.00 O ATOM 277 CB ASN A 41 14.468 3.882 -6.388 1.00 0.00 C ATOM 278 CG ASN A 41 15.338 4.995 -6.949 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.013 6.177 -6.822 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.447 4.626 -7.571 1.00 0.00 N ATOM 0 H ASN A 41 13.044 2.849 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 41 15.857 3.079 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.548 3.006 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.425 4.198 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.069 5.331 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.680 3.636 -7.655 1.00 0.00 H new ATOM 287 N SER A 42 13.643 5.078 -3.587 1.00 0.00 N ATOM 288 CA SER A 42 13.467 6.205 -2.689 1.00 0.00 C ATOM 289 C SER A 42 12.502 5.810 -1.580 1.00 0.00 C ATOM 290 O SER A 42 11.538 5.088 -1.826 1.00 0.00 O ATOM 291 CB SER A 42 12.924 7.411 -3.463 1.00 0.00 C ATOM 292 OG SER A 42 12.732 8.531 -2.614 1.00 0.00 O ATOM 0 H SER A 42 12.775 4.599 -3.828 1.00 0.00 H new ATOM 0 HA SER A 42 14.427 6.480 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.617 7.674 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.978 7.145 -3.936 1.00 0.00 H new ATOM 0 HG SER A 42 12.387 9.284 -3.138 1.00 0.00 H new ATOM 298 N LYS A 43 12.762 6.274 -0.363 1.00 0.00 N ATOM 299 CA LYS A 43 11.937 5.899 0.783 1.00 0.00 C ATOM 300 C LYS A 43 10.597 6.638 0.764 1.00 0.00 C ATOM 301 O LYS A 43 9.731 6.393 1.599 1.00 0.00 O ATOM 302 CB LYS A 43 12.678 6.135 2.114 1.00 0.00 C ATOM 303 CG LYS A 43 12.724 7.581 2.599 1.00 0.00 C ATOM 304 CD LYS A 43 13.544 8.481 1.690 1.00 0.00 C ATOM 305 CE LYS A 43 13.853 9.810 2.362 1.00 0.00 C ATOM 306 NZ LYS A 43 12.623 10.485 2.858 1.00 0.00 N ATOM 0 H LYS A 43 13.532 6.906 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 43 11.734 4.831 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.204 5.528 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.701 5.774 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.708 7.969 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.143 7.609 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.475 7.981 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.000 8.658 0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.536 9.644 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.365 10.463 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.733 11.515 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.806 10.174 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.470 10.238 3.856 1.00 0.00 H new ATOM 319 N CYS A 44 10.434 7.544 -0.193 1.00 0.00 N ATOM 320 CA CYS A 44 9.156 8.212 -0.396 1.00 0.00 C ATOM 321 C CYS A 44 8.555 7.786 -1.732 1.00 0.00 C ATOM 322 O CYS A 44 7.658 8.442 -2.260 1.00 0.00 O ATOM 323 CB CYS A 44 9.313 9.736 -0.357 1.00 0.00 C ATOM 324 SG CYS A 44 9.998 10.392 1.203 1.00 0.00 S ATOM 0 H CYS A 44 11.169 7.832 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 44 8.488 7.920 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.960 10.042 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.339 10.193 -0.531 1.00 0.00 H new ATOM 329 N GLN A 45 9.054 6.680 -2.273 1.00 0.00 N ATOM 330 CA GLN A 45 8.564 6.157 -3.544 1.00 0.00 C ATOM 331 C GLN A 45 8.902 4.677 -3.676 1.00 0.00 C ATOM 332 O GLN A 45 9.993 4.305 -4.120 1.00 0.00 O ATOM 333 CB GLN A 45 9.157 6.940 -4.719 1.00 0.00 C ATOM 334 CG GLN A 45 8.750 6.403 -6.087 1.00 0.00 C ATOM 335 CD GLN A 45 9.347 7.206 -7.228 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.575 8.407 -7.102 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.603 6.549 -8.351 1.00 0.00 N ATOM 0 H GLN A 45 9.799 6.127 -1.850 1.00 0.00 H new ATOM 0 HA GLN A 45 7.480 6.273 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.847 7.982 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.244 6.924 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.066 5.363 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.663 6.414 -6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.399 5.552 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.004 7.041 -9.150 1.00 0.00 H new ATOM 346 N GLY A 46 7.956 3.839 -3.298 1.00 0.00 N ATOM 347 CA GLY A 46 8.164 2.408 -3.354 1.00 0.00 C ATOM 348 C GLY A 46 6.865 1.651 -3.190 1.00 0.00 C ATOM 349 O GLY A 46 5.782 2.237 -3.298 1.00 0.00 O ATOM 0 H GLY A 46 7.040 4.124 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.623 2.143 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.861 2.110 -2.571 1.00 0.00 H new ATOM 353 N GLN A 47 6.963 0.357 -2.931 1.00 0.00 N ATOM 354 CA GLN A 47 5.786 -0.464 -2.697 1.00 0.00 C ATOM 355 C GLN A 47 5.287 -0.254 -1.272 1.00 0.00 C ATOM 356 O GLN A 47 6.080 -0.051 -0.355 1.00 0.00 O ATOM 357 CB GLN A 47 6.091 -1.951 -2.936 1.00 0.00 C ATOM 358 CG GLN A 47 6.240 -2.342 -4.406 1.00 0.00 C ATOM 359 CD GLN A 47 7.516 -1.830 -5.051 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.545 -1.668 -4.394 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.462 -1.579 -6.349 1.00 0.00 N ATOM 0 H GLN A 47 7.847 -0.148 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 47 5.011 -0.162 -3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.010 -2.209 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.293 -2.548 -2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.214 -3.429 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.384 -1.960 -4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.592 -1.725 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.290 -1.240 -6.838 1.00 0.00 H new ATOM 370 N LEU A 48 3.976 -0.284 -1.094 1.00 0.00 N ATOM 371 CA LEU A 48 3.386 -0.065 0.218 1.00 0.00 C ATOM 372 C LEU A 48 3.503 -1.321 1.073 1.00 0.00 C ATOM 373 O LEU A 48 2.898 -2.353 0.777 1.00 0.00 O ATOM 374 CB LEU A 48 1.918 0.355 0.087 1.00 0.00 C ATOM 375 CG LEU A 48 1.218 0.723 1.402 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.866 1.941 2.045 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.263 0.971 1.156 1.00 0.00 C ATOM 0 H LEU A 48 3.301 -0.457 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 48 3.933 0.741 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.861 1.210 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.366 -0.459 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 48 1.324 -0.114 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.350 2.179 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.914 1.727 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.799 2.790 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.749 1.231 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.382 1.790 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.720 0.069 0.749 1.00 0.00 H new ATOM 389 N GLU A 49 4.300 -1.223 2.125 1.00 0.00 N ATOM 390 CA GLU A 49 4.490 -2.322 3.055 1.00 0.00 C ATOM 391 C GLU A 49 3.842 -1.950 4.384 1.00 0.00 C ATOM 392 O GLU A 49 4.192 -0.936 4.991 1.00 0.00 O ATOM 393 CB GLU A 49 5.988 -2.603 3.238 1.00 0.00 C ATOM 394 CG GLU A 49 6.322 -4.043 3.598 1.00 0.00 C ATOM 395 CD GLU A 49 7.819 -4.293 3.644 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.486 -3.779 4.564 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.338 -5.004 2.753 1.00 0.00 O ATOM 0 H GLU A 49 4.831 -0.383 2.357 1.00 0.00 H new ATOM 0 HA GLU A 49 4.025 -3.228 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.509 -2.342 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.375 -1.948 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.886 -4.283 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.866 -4.713 2.869 1.00 0.00 H new ATOM 404 N VAL A 50 2.883 -2.752 4.817 1.00 0.00 N ATOM 405 CA VAL A 50 2.092 -2.426 5.995 1.00 0.00 C ATOM 406 C VAL A 50 2.316 -3.427 7.120 1.00 0.00 C ATOM 407 O VAL A 50 2.692 -4.576 6.884 1.00 0.00 O ATOM 408 CB VAL A 50 0.582 -2.365 5.667 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.305 -1.311 4.607 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.064 -3.723 5.218 1.00 0.00 C ATOM 0 H VAL A 50 2.632 -3.634 4.371 1.00 0.00 H new ATOM 0 HA VAL A 50 2.426 -1.442 6.325 1.00 0.00 H new ATOM 0 HB VAL A 50 0.052 -2.086 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.763 -1.284 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.626 -0.335 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.853 -1.557 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.000 -3.651 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.602 -4.040 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.219 -4.452 6.013 1.00 0.00 H new ATOM 420 N TYR A 51 2.084 -2.977 8.343 1.00 0.00 N ATOM 421 CA TYR A 51 2.258 -3.814 9.518 1.00 0.00 C ATOM 422 C TYR A 51 0.943 -4.484 9.906 1.00 0.00 C ATOM 423 O TYR A 51 -0.037 -3.813 10.232 1.00 0.00 O ATOM 424 CB TYR A 51 2.793 -2.968 10.684 1.00 0.00 C ATOM 425 CG TYR A 51 2.874 -3.704 12.007 1.00 0.00 C ATOM 426 CD1 TYR A 51 3.940 -4.547 12.301 1.00 0.00 C ATOM 427 CD2 TYR A 51 1.878 -3.551 12.966 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.010 -5.212 13.511 1.00 0.00 C ATOM 429 CE2 TYR A 51 1.943 -4.214 14.174 1.00 0.00 C ATOM 430 CZ TYR A 51 3.007 -5.042 14.441 1.00 0.00 C ATOM 431 OH TYR A 51 3.077 -5.698 15.649 1.00 0.00 O ATOM 0 H TYR A 51 1.772 -2.028 8.548 1.00 0.00 H new ATOM 0 HA TYR A 51 2.979 -4.597 9.285 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.786 -2.601 10.425 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.153 -2.095 10.807 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.726 -4.684 11.573 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.039 -2.902 12.761 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.846 -5.861 13.726 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.161 -4.083 14.907 1.00 0.00 H new ATOM 0 HH TYR A 51 2.293 -5.470 16.191 1.00 0.00 H new ATOM 441 N LEU A 52 0.926 -5.807 9.848 1.00 0.00 N ATOM 442 CA LEU A 52 -0.215 -6.582 10.317 1.00 0.00 C ATOM 443 C LEU A 52 0.132 -7.239 11.650 1.00 0.00 C ATOM 444 O LEU A 52 1.233 -7.036 12.164 1.00 0.00 O ATOM 445 CB LEU A 52 -0.602 -7.659 9.295 1.00 0.00 C ATOM 446 CG LEU A 52 -0.932 -7.157 7.887 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.179 -8.332 6.957 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.146 -6.239 7.910 1.00 0.00 C ATOM 0 H LEU A 52 1.693 -6.369 9.479 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.064 -5.910 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.217 -8.374 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.466 -8.202 9.678 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.080 -6.586 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.413 -7.963 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.286 -8.956 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.016 -8.922 7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.361 -5.895 6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.007 -6.783 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.941 -5.380 8.549 1.00 0.00 H new ATOM 460 N LYS A 53 -0.787 -8.028 12.201 1.00 0.00 N ATOM 461 CA LYS A 53 -0.526 -8.754 13.447 1.00 0.00 C ATOM 462 C LYS A 53 0.711 -9.633 13.293 1.00 0.00 C ATOM 463 O LYS A 53 1.581 -9.673 14.166 1.00 0.00 O ATOM 464 CB LYS A 53 -1.723 -9.633 13.834 1.00 0.00 C ATOM 465 CG LYS A 53 -3.013 -8.869 14.081 1.00 0.00 C ATOM 466 CD LYS A 53 -4.138 -9.816 14.466 1.00 0.00 C ATOM 467 CE LYS A 53 -5.446 -9.076 14.682 1.00 0.00 C ATOM 468 NZ LYS A 53 -6.553 -10.009 15.026 1.00 0.00 N ATOM 0 H LYS A 53 -1.716 -8.182 11.809 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.360 -8.018 14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.893 -10.362 13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.470 -10.194 14.734 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.861 -8.137 14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.290 -8.315 13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.268 -10.564 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.868 -10.351 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.324 -8.345 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.704 -8.521 13.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.431 -9.469 15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.686 -10.691 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.317 -10.520 15.901 1.00 0.00 H new ATOM 481 N ASP A 54 0.767 -10.334 12.168 1.00 0.00 N ATOM 482 CA ASP A 54 1.890 -11.202 11.838 1.00 0.00 C ATOM 483 C ASP A 54 3.168 -10.392 11.675 1.00 0.00 C ATOM 484 O ASP A 54 4.214 -10.732 12.224 1.00 0.00 O ATOM 485 CB ASP A 54 1.605 -11.958 10.540 1.00 0.00 C ATOM 486 CG ASP A 54 0.227 -12.585 10.523 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.748 -11.867 10.215 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.111 -13.791 10.826 1.00 0.00 O ATOM 0 H ASP A 54 0.035 -10.317 11.458 1.00 0.00 H new ATOM 0 HA ASP A 54 2.021 -11.911 12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.699 -11.274 9.697 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.356 -12.736 10.404 1.00 0.00 H new ATOM 493 N GLY A 55 3.067 -9.308 10.927 1.00 0.00 N ATOM 494 CA GLY A 55 4.223 -8.486 10.656 1.00 0.00 C ATOM 495 C GLY A 55 4.072 -7.700 9.374 1.00 0.00 C ATOM 496 O GLY A 55 2.951 -7.505 8.889 1.00 0.00 O ATOM 0 H GLY A 55 2.200 -8.981 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.381 -7.798 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.109 -9.117 10.592 1.00 0.00 H new ATOM 500 N TRP A 56 5.193 -7.281 8.808 1.00 0.00 N ATOM 501 CA TRP A 56 5.189 -6.433 7.623 1.00 0.00 C ATOM 502 C TRP A 56 4.807 -7.221 6.379 1.00 0.00 C ATOM 503 O TRP A 56 5.357 -8.289 6.108 1.00 0.00 O ATOM 504 CB TRP A 56 6.554 -5.765 7.444 1.00 0.00 C ATOM 505 CG TRP A 56 6.846 -4.770 8.524 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.572 -4.977 9.662 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.397 -3.413 8.574 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.598 -3.830 10.416 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.885 -2.856 9.768 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.627 -2.615 7.722 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.630 -1.535 10.131 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.375 -1.309 8.085 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.873 -0.779 9.279 1.00 0.00 C ATOM 0 H TRP A 56 6.124 -7.516 9.152 1.00 0.00 H new ATOM 0 HA TRP A 56 4.436 -5.657 7.765 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.332 -6.529 7.437 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.588 -5.267 6.475 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.054 -5.906 9.929 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.071 -3.721 11.313 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.237 -3.014 6.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.016 -1.123 11.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.782 -0.683 7.435 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.656 0.248 9.534 1.00 0.00 H new ATOM 524 N HIS A 57 3.838 -6.696 5.645 1.00 0.00 N ATOM 525 CA HIS A 57 3.352 -7.328 4.427 1.00 0.00 C ATOM 526 C HIS A 57 3.087 -6.275 3.356 1.00 0.00 C ATOM 527 O HIS A 57 2.619 -5.180 3.656 1.00 0.00 O ATOM 528 CB HIS A 57 2.070 -8.121 4.711 1.00 0.00 C ATOM 529 CG HIS A 57 2.299 -9.392 5.472 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.344 -9.447 6.850 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.497 -10.663 5.043 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.560 -10.692 7.232 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.657 -11.448 6.157 1.00 0.00 N ATOM 0 H HIS A 57 3.367 -5.821 5.876 1.00 0.00 H new ATOM 0 HA HIS A 57 4.117 -8.016 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.382 -7.491 5.274 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.584 -8.358 3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.228 -8.650 7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.524 -10.996 4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.643 -11.033 8.253 1.00 0.00 H new ATOM 541 N MET A 58 3.396 -6.614 2.114 1.00 0.00 N ATOM 542 CA MET A 58 3.205 -5.705 0.991 1.00 0.00 C ATOM 543 C MET A 58 1.748 -5.712 0.553 1.00 0.00 C ATOM 544 O MET A 58 1.063 -6.719 0.695 1.00 0.00 O ATOM 545 CB MET A 58 4.085 -6.127 -0.190 1.00 0.00 C ATOM 546 CG MET A 58 5.579 -6.054 0.084 1.00 0.00 C ATOM 547 SD MET A 58 6.552 -6.800 -1.240 1.00 0.00 S ATOM 548 CE MET A 58 5.919 -5.923 -2.670 1.00 0.00 C ATOM 0 H MET A 58 3.784 -7.521 1.855 1.00 0.00 H new ATOM 0 HA MET A 58 3.485 -4.701 1.311 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.829 -7.148 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.853 -5.493 -1.045 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.874 -5.012 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.799 -6.560 1.024 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.591 -6.072 -3.515 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.929 -6.304 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.851 -4.859 -2.443 1.00 0.00 H new ATOM 558 N VAL A 59 1.277 -4.601 0.013 1.00 0.00 N ATOM 559 CA VAL A 59 -0.093 -4.525 -0.472 1.00 0.00 C ATOM 560 C VAL A 59 -0.135 -4.748 -1.984 1.00 0.00 C ATOM 561 O VAL A 59 0.662 -4.175 -2.731 1.00 0.00 O ATOM 562 CB VAL A 59 -0.748 -3.165 -0.131 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.199 -3.128 -0.591 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.663 -2.883 1.361 1.00 0.00 C ATOM 0 H VAL A 59 1.818 -3.744 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.659 -5.310 0.030 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.198 -2.389 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.636 -2.162 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.242 -3.276 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.759 -3.920 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.130 -1.922 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.181 -3.669 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.383 -2.855 1.667 1.00 0.00 H new ATOM 574 N CYS A 60 -1.051 -5.601 -2.421 1.00 0.00 N ATOM 575 CA CYS A 60 -1.225 -5.893 -3.838 1.00 0.00 C ATOM 576 C CYS A 60 -2.255 -4.929 -4.427 1.00 0.00 C ATOM 577 O CYS A 60 -3.290 -4.675 -3.810 1.00 0.00 O ATOM 578 CB CYS A 60 -1.680 -7.350 -4.009 1.00 0.00 C ATOM 579 SG CYS A 60 -1.593 -7.998 -5.711 1.00 0.00 S ATOM 0 H CYS A 60 -1.691 -6.107 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.281 -5.762 -4.366 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.069 -7.982 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.708 -7.436 -3.657 1.00 0.00 H new ATOM 584 N SER A 61 -1.978 -4.392 -5.613 1.00 0.00 N ATOM 585 CA SER A 61 -2.858 -3.401 -6.233 1.00 0.00 C ATOM 586 C SER A 61 -4.065 -4.062 -6.910 1.00 0.00 C ATOM 587 O SER A 61 -4.469 -3.693 -8.013 1.00 0.00 O ATOM 588 CB SER A 61 -2.069 -2.542 -7.223 1.00 0.00 C ATOM 589 OG SER A 61 -1.210 -3.333 -8.023 1.00 0.00 O ATOM 0 H SER A 61 -1.152 -4.625 -6.164 1.00 0.00 H new ATOM 0 HA SER A 61 -3.248 -2.755 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.760 -1.993 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.482 -1.802 -6.678 1.00 0.00 H new ATOM 0 HG SER A 61 -0.291 -3.003 -7.941 1.00 0.00 H new ATOM 595 N GLN A 62 -4.621 -5.048 -6.225 1.00 0.00 N ATOM 596 CA GLN A 62 -5.854 -5.705 -6.632 1.00 0.00 C ATOM 597 C GLN A 62 -6.780 -5.751 -5.415 1.00 0.00 C ATOM 598 O GLN A 62 -7.664 -6.596 -5.298 1.00 0.00 O ATOM 599 CB GLN A 62 -5.542 -7.121 -7.144 1.00 0.00 C ATOM 600 CG GLN A 62 -6.717 -7.837 -7.796 1.00 0.00 C ATOM 601 CD GLN A 62 -7.208 -7.147 -9.053 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.729 -7.416 -10.152 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.177 -6.260 -8.901 1.00 0.00 N ATOM 0 H GLN A 62 -4.225 -5.419 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.339 -5.160 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.726 -7.060 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.185 -7.724 -6.309 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.423 -8.858 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.537 -7.903 -7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.548 -6.064 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.553 -5.771 -9.713 1.00 0.00 H new ATOM 612 N SER A 63 -6.567 -4.799 -4.512 1.00 0.00 N ATOM 613 CA SER A 63 -7.197 -4.818 -3.204 1.00 0.00 C ATOM 614 C SER A 63 -8.407 -3.891 -3.170 1.00 0.00 C ATOM 615 O SER A 63 -8.510 -2.965 -3.974 1.00 0.00 O ATOM 616 CB SER A 63 -6.174 -4.395 -2.139 1.00 0.00 C ATOM 617 OG SER A 63 -6.679 -4.579 -0.829 1.00 0.00 O ATOM 0 H SER A 63 -5.955 -3.998 -4.669 1.00 0.00 H new ATOM 0 HA SER A 63 -7.543 -5.830 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.259 -4.975 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.909 -3.348 -2.284 1.00 0.00 H new ATOM 0 HG SER A 63 -7.064 -3.738 -0.506 1.00 0.00 H new ATOM 623 N TRP A 64 -9.320 -4.165 -2.238 1.00 0.00 N ATOM 624 CA TRP A 64 -10.513 -3.340 -2.010 1.00 0.00 C ATOM 625 C TRP A 64 -11.392 -3.251 -3.254 1.00 0.00 C ATOM 626 O TRP A 64 -12.176 -2.312 -3.404 1.00 0.00 O ATOM 627 CB TRP A 64 -10.120 -1.934 -1.542 1.00 0.00 C ATOM 628 CG TRP A 64 -9.297 -1.935 -0.287 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.706 -2.295 0.964 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.923 -1.552 -0.163 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.668 -2.164 1.855 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.565 -1.711 1.187 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.960 -1.095 -1.066 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.287 -1.424 1.656 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.693 -0.813 -0.598 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.366 -0.979 0.751 1.00 0.00 C ATOM 0 H TRP A 64 -9.255 -4.970 -1.615 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.093 -3.827 -1.226 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.560 -1.438 -2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.024 -1.348 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.700 -2.633 1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.713 -2.371 2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.203 -0.965 -2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.032 -1.549 2.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.940 -0.458 -1.286 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.364 -0.751 1.084 1.00 0.00 H new ATOM 647 N GLY A 65 -11.266 -4.231 -4.137 1.00 0.00 N ATOM 648 CA GLY A 65 -12.043 -4.230 -5.359 1.00 0.00 C ATOM 649 C GLY A 65 -11.599 -3.154 -6.331 1.00 0.00 C ATOM 650 O GLY A 65 -12.391 -2.674 -7.144 1.00 0.00 O ATOM 0 H GLY A 65 -10.639 -5.028 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.960 -5.205 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.095 -4.083 -5.116 1.00 0.00 H new ATOM 654 N ARG A 66 -10.337 -2.756 -6.237 1.00 0.00 N ATOM 655 CA ARG A 66 -9.779 -1.776 -7.152 1.00 0.00 C ATOM 656 C ARG A 66 -8.922 -2.488 -8.186 1.00 0.00 C ATOM 657 O ARG A 66 -8.297 -3.505 -7.885 1.00 0.00 O ATOM 658 CB ARG A 66 -8.941 -0.739 -6.396 1.00 0.00 C ATOM 659 CG ARG A 66 -9.690 -0.035 -5.270 1.00 0.00 C ATOM 660 CD ARG A 66 -10.907 0.736 -5.779 1.00 0.00 C ATOM 661 NE ARG A 66 -10.542 1.814 -6.702 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.384 2.349 -7.583 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.612 1.862 -7.704 1.00 0.00 N ATOM 664 NH2 ARG A 66 -10.998 3.353 -8.357 1.00 0.00 N ATOM 0 H ARG A 66 -9.682 -3.099 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.595 -1.252 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.061 -1.231 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.583 0.009 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.011 -0.772 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.014 0.652 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.586 0.047 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.448 1.156 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.589 2.175 -6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.910 1.079 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.259 2.271 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.050 3.721 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.649 3.758 -9.030 1.00 0.00 H new ATOM 677 N SER A 67 -8.906 -1.964 -9.399 1.00 0.00 N ATOM 678 CA SER A 67 -8.163 -2.579 -10.482 1.00 0.00 C ATOM 679 C SER A 67 -6.750 -2.007 -10.532 1.00 0.00 C ATOM 680 O SER A 67 -6.497 -0.914 -10.021 1.00 0.00 O ATOM 681 CB SER A 67 -8.892 -2.344 -11.805 1.00 0.00 C ATOM 682 OG SER A 67 -8.399 -3.193 -12.830 1.00 0.00 O ATOM 0 H SER A 67 -9.401 -1.111 -9.658 1.00 0.00 H new ATOM 0 HA SER A 67 -8.092 -3.653 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.959 -2.518 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.775 -1.303 -12.106 1.00 0.00 H new ATOM 0 HG SER A 67 -8.887 -3.019 -13.662 1.00 0.00 H new ATOM 688 N SER A 68 -5.835 -2.744 -11.156 1.00 0.00 N ATOM 689 CA SER A 68 -4.430 -2.358 -11.204 1.00 0.00 C ATOM 690 C SER A 68 -4.175 -1.259 -12.240 1.00 0.00 C ATOM 691 O SER A 68 -3.333 -1.400 -13.130 1.00 0.00 O ATOM 692 CB SER A 68 -3.577 -3.582 -11.511 1.00 0.00 C ATOM 693 OG SER A 68 -3.777 -4.600 -10.540 1.00 0.00 O ATOM 0 H SER A 68 -6.045 -3.618 -11.638 1.00 0.00 H new ATOM 0 HA SER A 68 -4.156 -1.953 -10.230 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.827 -3.965 -12.501 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.525 -3.299 -11.535 1.00 0.00 H new ATOM 0 HG SER A 68 -4.031 -4.192 -9.686 1.00 0.00 H new ATOM 699 N LYS A 69 -4.909 -0.166 -12.106 1.00 0.00 N ATOM 700 CA LYS A 69 -4.735 1.010 -12.944 1.00 0.00 C ATOM 701 C LYS A 69 -4.833 2.248 -12.061 1.00 0.00 C ATOM 702 O LYS A 69 -5.562 2.243 -11.065 1.00 0.00 O ATOM 703 CB LYS A 69 -5.794 1.056 -14.056 1.00 0.00 C ATOM 704 CG LYS A 69 -5.767 -0.159 -14.976 1.00 0.00 C ATOM 705 CD LYS A 69 -6.770 -0.034 -16.111 1.00 0.00 C ATOM 706 CE LYS A 69 -6.821 -1.303 -16.952 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.498 -1.632 -17.552 1.00 0.00 N ATOM 0 H LYS A 69 -5.647 -0.069 -11.408 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.759 0.972 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.782 1.136 -13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.644 1.956 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.765 -0.280 -15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.984 -1.057 -14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.759 0.173 -15.703 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.502 0.812 -16.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.154 -2.135 -16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.558 -1.182 -17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.610 -2.409 -18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.120 -0.795 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.839 -1.922 -16.802 1.00 0.00 H new ATOM 720 N GLN A 70 -4.095 3.293 -12.413 1.00 0.00 N ATOM 721 CA GLN A 70 -3.983 4.471 -11.562 1.00 0.00 C ATOM 722 C GLN A 70 -5.323 5.185 -11.410 1.00 0.00 C ATOM 723 O GLN A 70 -5.881 5.700 -12.381 1.00 0.00 O ATOM 724 CB GLN A 70 -2.931 5.442 -12.112 1.00 0.00 C ATOM 725 CG GLN A 70 -2.830 6.727 -11.304 1.00 0.00 C ATOM 726 CD GLN A 70 -1.727 7.652 -11.775 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.370 7.673 -12.949 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.186 8.436 -10.855 1.00 0.00 N ATOM 0 H GLN A 70 -3.565 3.349 -13.282 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.668 4.129 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.959 4.949 -12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.176 5.687 -13.146 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.782 7.255 -11.355 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.660 6.476 -10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.511 8.388 -9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.445 9.088 -11.112 1.00 0.00 H new ATOM 737 N TRP A 71 -5.831 5.205 -10.184 1.00 0.00 N ATOM 738 CA TRP A 71 -7.064 5.913 -9.874 1.00 0.00 C ATOM 739 C TRP A 71 -6.782 7.395 -9.629 1.00 0.00 C ATOM 740 O TRP A 71 -5.625 7.812 -9.531 1.00 0.00 O ATOM 741 CB TRP A 71 -7.765 5.276 -8.665 1.00 0.00 C ATOM 742 CG TRP A 71 -6.843 4.918 -7.542 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.360 5.752 -6.577 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.302 3.622 -7.261 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.550 5.055 -5.715 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.495 3.744 -6.116 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.416 2.369 -7.875 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.816 2.659 -5.566 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.741 1.295 -7.329 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.948 1.447 -6.188 1.00 0.00 C ATOM 0 H TRP A 71 -5.404 4.736 -9.385 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.734 5.833 -10.730 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.522 5.966 -8.293 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.286 4.377 -8.993 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.582 6.806 -6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.067 5.448 -4.907 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.022 2.244 -8.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.207 2.770 -4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.827 0.323 -7.791 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.428 0.589 -5.788 1.00 0.00 H new ATOM 761 N GLU A 72 -7.850 8.173 -9.518 1.00 0.00 N ATOM 762 CA GLU A 72 -7.760 9.629 -9.597 1.00 0.00 C ATOM 763 C GLU A 72 -7.419 10.298 -8.263 1.00 0.00 C ATOM 764 O GLU A 72 -7.140 11.496 -8.234 1.00 0.00 O ATOM 765 CB GLU A 72 -9.079 10.198 -10.125 1.00 0.00 C ATOM 766 CG GLU A 72 -9.460 9.695 -11.508 1.00 0.00 C ATOM 767 CD GLU A 72 -10.805 10.220 -11.961 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.830 9.841 -11.356 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.848 11.018 -12.922 1.00 0.00 O ATOM 0 H GLU A 72 -8.796 7.820 -9.372 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.938 9.849 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.877 9.947 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.009 11.285 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.695 9.995 -12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.481 8.605 -11.502 1.00 0.00 H new ATOM 776 N ASP A 73 -7.432 9.551 -7.166 1.00 0.00 N ATOM 777 CA ASP A 73 -7.201 10.161 -5.855 1.00 0.00 C ATOM 778 C ASP A 73 -6.022 9.521 -5.136 1.00 0.00 C ATOM 779 O ASP A 73 -6.111 8.384 -4.669 1.00 0.00 O ATOM 780 CB ASP A 73 -8.445 10.058 -4.971 1.00 0.00 C ATOM 781 CG ASP A 73 -8.333 10.917 -3.720 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.421 10.682 -2.901 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.164 11.834 -3.548 1.00 0.00 O ATOM 0 H ASP A 73 -7.596 8.544 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.973 11.212 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.321 10.364 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.599 9.018 -4.683 1.00 0.00 H new ATOM 788 N PRO A 74 -4.886 10.232 -5.062 1.00 0.00 N ATOM 789 CA PRO A 74 -3.744 9.809 -4.270 1.00 0.00 C ATOM 790 C PRO A 74 -3.709 10.466 -2.888 1.00 0.00 C ATOM 791 O PRO A 74 -2.920 10.081 -2.024 1.00 0.00 O ATOM 792 CB PRO A 74 -2.580 10.302 -5.120 1.00 0.00 C ATOM 793 CG PRO A 74 -3.078 11.560 -5.758 1.00 0.00 C ATOM 794 CD PRO A 74 -4.591 11.477 -5.795 1.00 0.00 C ATOM 0 HA PRO A 74 -3.745 8.739 -4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.697 10.491 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.297 9.563 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.755 12.433 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.674 11.666 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.052 12.342 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.966 11.439 -6.818 1.00 0.00 H new ATOM 802 N SER A 75 -4.587 11.439 -2.683 1.00 0.00 N ATOM 803 CA SER A 75 -4.556 12.275 -1.492 1.00 0.00 C ATOM 804 C SER A 75 -4.962 11.503 -0.242 1.00 0.00 C ATOM 805 O SER A 75 -4.625 11.899 0.875 1.00 0.00 O ATOM 806 CB SER A 75 -5.474 13.480 -1.683 1.00 0.00 C ATOM 807 OG SER A 75 -5.159 14.170 -2.881 1.00 0.00 O ATOM 0 H SER A 75 -5.337 11.670 -3.335 1.00 0.00 H new ATOM 0 HA SER A 75 -3.529 12.612 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.513 13.150 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.376 14.155 -0.833 1.00 0.00 H new ATOM 0 HG SER A 75 -5.760 14.937 -2.984 1.00 0.00 H new ATOM 813 N GLN A 76 -5.668 10.392 -0.427 1.00 0.00 N ATOM 814 CA GLN A 76 -6.100 9.565 0.696 1.00 0.00 C ATOM 815 C GLN A 76 -4.901 8.988 1.449 1.00 0.00 C ATOM 816 O GLN A 76 -5.040 8.488 2.564 1.00 0.00 O ATOM 817 CB GLN A 76 -7.001 8.427 0.205 1.00 0.00 C ATOM 818 CG GLN A 76 -8.177 8.902 -0.632 1.00 0.00 C ATOM 819 CD GLN A 76 -9.068 9.892 0.096 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.602 10.852 -0.641 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -9.252 9.815 1.312 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.953 10.043 -1.342 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.664 10.199 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.404 7.730 -0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.378 7.875 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.802 9.364 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.772 8.040 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.823 9.059 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.834 10.507 1.785 1.00 0.00 H new ATOM 830 N ALA A 77 -3.722 9.082 0.844 1.00 0.00 N ATOM 831 CA ALA A 77 -2.517 8.517 1.431 1.00 0.00 C ATOM 832 C ALA A 77 -1.586 9.594 1.987 1.00 0.00 C ATOM 833 O ALA A 77 -0.425 9.316 2.291 1.00 0.00 O ATOM 834 CB ALA A 77 -1.785 7.673 0.401 1.00 0.00 C ATOM 0 H ALA A 77 -3.577 9.545 -0.053 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.823 7.890 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.884 7.254 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.434 6.864 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.511 8.295 -0.451 1.00 0.00 H new ATOM 840 N SER A 78 -2.092 10.816 2.128 1.00 0.00 N ATOM 841 CA SER A 78 -1.287 11.918 2.662 1.00 0.00 C ATOM 842 C SER A 78 -0.768 11.589 4.063 1.00 0.00 C ATOM 843 O SER A 78 0.393 11.854 4.385 1.00 0.00 O ATOM 844 CB SER A 78 -2.103 13.212 2.698 1.00 0.00 C ATOM 845 OG SER A 78 -2.597 13.541 1.411 1.00 0.00 O ATOM 0 H SER A 78 -3.049 11.070 1.883 1.00 0.00 H new ATOM 0 HA SER A 78 -0.432 12.058 2.001 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.936 13.101 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.482 14.026 3.072 1.00 0.00 H new ATOM 0 HG SER A 78 -3.355 12.960 1.193 1.00 0.00 H new ATOM 851 N LYS A 79 -1.628 10.992 4.882 1.00 0.00 N ATOM 852 CA LYS A 79 -1.262 10.602 6.239 1.00 0.00 C ATOM 853 C LYS A 79 -0.138 9.564 6.219 1.00 0.00 C ATOM 854 O LYS A 79 0.704 9.533 7.117 1.00 0.00 O ATOM 855 CB LYS A 79 -2.507 10.075 6.975 1.00 0.00 C ATOM 856 CG LYS A 79 -2.287 9.657 8.424 1.00 0.00 C ATOM 857 CD LYS A 79 -1.838 8.207 8.530 1.00 0.00 C ATOM 858 CE LYS A 79 -1.854 7.709 9.965 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.524 6.261 10.045 1.00 0.00 N ATOM 0 H LYS A 79 -2.590 10.767 4.627 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.886 11.473 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.275 10.848 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.898 9.220 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.537 10.304 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.211 9.794 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.490 7.580 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.831 8.109 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.138 8.279 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.838 7.883 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.724 5.912 11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.101 5.735 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.516 6.122 9.829 1.00 0.00 H new ATOM 872 N VAL A 80 -0.111 8.733 5.183 1.00 0.00 N ATOM 873 CA VAL A 80 0.933 7.723 5.047 1.00 0.00 C ATOM 874 C VAL A 80 2.270 8.381 4.720 1.00 0.00 C ATOM 875 O VAL A 80 3.287 8.075 5.344 1.00 0.00 O ATOM 876 CB VAL A 80 0.586 6.669 3.968 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.758 5.721 3.743 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.657 5.884 4.369 1.00 0.00 C ATOM 0 H VAL A 80 -0.797 8.738 4.428 1.00 0.00 H new ATOM 0 HA VAL A 80 1.007 7.206 6.004 1.00 0.00 H new ATOM 0 HB VAL A 80 0.382 7.193 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.492 4.988 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.627 6.289 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.994 5.206 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.886 5.147 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.476 5.375 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.499 6.567 4.480 1.00 0.00 H new ATOM 888 N CYS A 81 2.261 9.299 3.757 1.00 0.00 N ATOM 889 CA CYS A 81 3.460 10.061 3.418 1.00 0.00 C ATOM 890 C CYS A 81 3.969 10.810 4.652 1.00 0.00 C ATOM 891 O CYS A 81 5.173 10.911 4.882 1.00 0.00 O ATOM 892 CB CYS A 81 3.170 11.057 2.284 1.00 0.00 C ATOM 893 SG CYS A 81 2.572 10.300 0.734 1.00 0.00 S ATOM 0 H CYS A 81 1.440 9.533 3.199 1.00 0.00 H new ATOM 0 HA CYS A 81 4.226 9.364 3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.427 11.775 2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.080 11.618 2.070 1.00 0.00 H new ATOM 898 N GLN A 82 3.029 11.310 5.451 1.00 0.00 N ATOM 899 CA GLN A 82 3.344 12.010 6.692 1.00 0.00 C ATOM 900 C GLN A 82 4.058 11.086 7.682 1.00 0.00 C ATOM 901 O GLN A 82 4.979 11.504 8.383 1.00 0.00 O ATOM 902 CB GLN A 82 2.053 12.561 7.310 1.00 0.00 C ATOM 903 CG GLN A 82 2.234 13.251 8.654 1.00 0.00 C ATOM 904 CD GLN A 82 3.026 14.545 8.570 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.910 14.704 7.730 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.706 15.483 9.445 1.00 0.00 N ATOM 0 H GLN A 82 2.030 11.241 5.256 1.00 0.00 H new ATOM 0 HA GLN A 82 4.018 12.836 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.605 13.268 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.345 11.741 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.253 13.462 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.739 12.569 9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.966 15.314 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.199 16.376 9.438 1.00 0.00 H new ATOM 915 N ARG A 83 3.640 9.826 7.715 1.00 0.00 N ATOM 916 CA ARG A 83 4.226 8.842 8.623 1.00 0.00 C ATOM 917 C ARG A 83 5.690 8.581 8.281 1.00 0.00 C ATOM 918 O ARG A 83 6.479 8.204 9.148 1.00 0.00 O ATOM 919 CB ARG A 83 3.436 7.527 8.577 1.00 0.00 C ATOM 920 CG ARG A 83 2.049 7.618 9.197 1.00 0.00 C ATOM 921 CD ARG A 83 2.107 7.579 10.717 1.00 0.00 C ATOM 922 NE ARG A 83 2.234 6.215 11.237 1.00 0.00 N ATOM 923 CZ ARG A 83 3.207 5.819 12.054 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.184 6.657 12.375 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.204 4.594 12.554 1.00 0.00 N ATOM 0 H ARG A 83 2.895 9.459 7.122 1.00 0.00 H new ATOM 0 HA ARG A 83 4.176 9.251 9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.339 7.209 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.005 6.755 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.567 8.541 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.434 6.794 8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.952 8.176 11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.206 8.038 11.124 1.00 0.00 H new ATOM 0 HE ARG A 83 1.535 5.528 10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.189 7.604 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.930 6.354 13.001 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.453 3.947 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.953 4.297 13.180 1.00 0.00 H new ATOM 938 N LEU A 84 6.048 8.782 7.021 1.00 0.00 N ATOM 939 CA LEU A 84 7.423 8.574 6.575 1.00 0.00 C ATOM 940 C LEU A 84 8.173 9.898 6.455 1.00 0.00 C ATOM 941 O LEU A 84 9.303 9.940 5.963 1.00 0.00 O ATOM 942 CB LEU A 84 7.461 7.837 5.231 1.00 0.00 C ATOM 943 CG LEU A 84 7.199 6.328 5.289 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.751 6.029 5.642 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.564 5.688 3.963 1.00 0.00 C ATOM 0 H LEU A 84 5.408 9.089 6.288 1.00 0.00 H new ATOM 0 HA LEU A 84 7.916 7.960 7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.723 8.290 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.438 8.000 4.777 1.00 0.00 H new ATOM 0 HG LEU A 84 7.825 5.905 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.600 4.950 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.518 6.458 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.095 6.465 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.375 4.616 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.960 6.127 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.620 5.861 3.754 1.00 0.00 H new ATOM 957 N ASN A 85 7.532 10.973 6.916 1.00 0.00 N ATOM 958 CA ASN A 85 8.107 12.321 6.864 1.00 0.00 C ATOM 959 C ASN A 85 8.424 12.726 5.419 1.00 0.00 C ATOM 960 O ASN A 85 9.491 13.264 5.117 1.00 0.00 O ATOM 961 CB ASN A 85 9.360 12.412 7.750 1.00 0.00 C ATOM 962 CG ASN A 85 9.910 13.827 7.864 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.173 14.809 7.764 1.00 0.00 O ATOM 964 ND2 ASN A 85 11.215 13.942 8.068 1.00 0.00 N ATOM 0 H ASN A 85 6.603 10.936 7.335 1.00 0.00 H new ATOM 0 HA ASN A 85 7.367 13.021 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.121 12.040 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.133 11.760 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.639 14.866 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.795 13.106 8.146 1.00 0.00 H new ATOM 971 N CYS A 86 7.490 12.451 4.525 1.00 0.00 N ATOM 972 CA CYS A 86 7.620 12.849 3.131 1.00 0.00 C ATOM 973 C CYS A 86 6.617 13.960 2.824 1.00 0.00 C ATOM 974 O CYS A 86 5.909 14.425 3.721 1.00 0.00 O ATOM 975 CB CYS A 86 7.395 11.646 2.204 1.00 0.00 C ATOM 976 SG CYS A 86 8.480 10.217 2.545 1.00 0.00 S ATOM 0 H CYS A 86 6.628 11.951 4.740 1.00 0.00 H new ATOM 0 HA CYS A 86 8.629 13.222 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.356 11.326 2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.547 11.964 1.173 1.00 0.00 H new ATOM 981 N GLY A 87 6.561 14.392 1.574 1.00 0.00 N ATOM 982 CA GLY A 87 5.634 15.438 1.193 1.00 0.00 C ATOM 983 C GLY A 87 4.317 14.891 0.675 1.00 0.00 C ATOM 984 O GLY A 87 3.956 13.749 0.961 1.00 0.00 O ATOM 0 H GLY A 87 7.142 14.037 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.443 16.080 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.091 16.062 0.425 1.00 0.00 H new ATOM 988 N ASP A 88 3.610 15.711 -0.096 1.00 0.00 N ATOM 989 CA ASP A 88 2.293 15.354 -0.635 1.00 0.00 C ATOM 990 C ASP A 88 2.404 14.174 -1.607 1.00 0.00 C ATOM 991 O ASP A 88 3.436 13.997 -2.262 1.00 0.00 O ATOM 992 CB ASP A 88 1.683 16.563 -1.357 1.00 0.00 C ATOM 993 CG ASP A 88 0.230 16.807 -0.999 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.029 17.421 0.056 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.659 16.411 -1.783 1.00 0.00 O ATOM 0 H ASP A 88 3.929 16.641 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 88 1.649 15.060 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.264 17.453 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.764 16.413 -2.434 1.00 0.00 H new ATOM 1000 N PRO A 89 1.346 13.348 -1.705 1.00 0.00 N ATOM 1001 CA PRO A 89 1.326 12.184 -2.588 1.00 0.00 C ATOM 1002 C PRO A 89 1.114 12.566 -4.050 1.00 0.00 C ATOM 1003 O PRO A 89 0.083 13.133 -4.415 1.00 0.00 O ATOM 1004 CB PRO A 89 0.141 11.345 -2.086 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.449 12.082 -0.927 1.00 0.00 C ATOM 1006 CD PRO A 89 0.086 13.485 -0.973 1.00 0.00 C ATOM 0 HA PRO A 89 2.277 11.653 -2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.599 11.210 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.471 10.351 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.537 12.083 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.181 11.599 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.602 14.160 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.245 13.887 0.028 1.00 0.00 H new ATOM 1014 N LEU A 90 2.093 12.245 -4.880 1.00 0.00 N ATOM 1015 CA LEU A 90 2.034 12.537 -6.304 1.00 0.00 C ATOM 1016 C LEU A 90 1.184 11.511 -7.036 1.00 0.00 C ATOM 1017 O LEU A 90 0.421 11.851 -7.942 1.00 0.00 O ATOM 1018 CB LEU A 90 3.440 12.534 -6.901 1.00 0.00 C ATOM 1019 CG LEU A 90 4.374 13.625 -6.382 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.797 13.370 -6.854 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.900 14.997 -6.837 1.00 0.00 C ATOM 0 H LEU A 90 2.950 11.775 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 90 1.583 13.522 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.897 11.564 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.357 12.635 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 90 4.360 13.602 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.452 14.155 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.137 12.404 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.824 13.368 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.578 15.761 -6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.885 15.034 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.896 15.181 -6.454 1.00 0.00 H new ATOM 1033 N SER A 91 1.327 10.253 -6.650 1.00 0.00 N ATOM 1034 CA SER A 91 0.633 9.166 -7.322 1.00 0.00 C ATOM 1035 C SER A 91 0.425 7.987 -6.381 1.00 0.00 C ATOM 1036 O SER A 91 1.199 7.785 -5.441 1.00 0.00 O ATOM 1037 CB SER A 91 1.420 8.708 -8.551 1.00 0.00 C ATOM 1038 OG SER A 91 1.588 9.768 -9.479 1.00 0.00 O ATOM 0 H SER A 91 1.919 9.959 -5.873 1.00 0.00 H new ATOM 0 HA SER A 91 -0.342 9.538 -7.637 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.396 8.334 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.899 7.880 -9.032 1.00 0.00 H new ATOM 0 HG SER A 91 2.095 9.447 -10.254 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.621 7.224 -6.651 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.959 6.044 -5.869 1.00 0.00 C ATOM 1046 C LEU A 92 -1.591 5.015 -6.806 1.00 0.00 C ATOM 1047 O LEU A 92 -2.665 5.258 -7.364 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.946 6.432 -4.757 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.936 5.568 -3.484 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.989 6.063 -2.502 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.176 4.100 -3.794 1.00 0.00 C ATOM 0 H LEU A 92 -1.263 7.406 -7.422 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.067 5.621 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.743 7.463 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.953 6.410 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.946 5.660 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.971 5.443 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.777 7.097 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.974 6.004 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.161 3.525 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.146 3.984 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.393 3.736 -4.459 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.918 3.890 -7.009 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.435 2.872 -7.909 1.00 0.00 C ATOM 1065 C GLY A 93 -0.472 1.714 -8.075 1.00 0.00 C ATOM 1066 O GLY A 93 0.399 1.517 -7.234 1.00 0.00 O ATOM 0 H GLY A 93 -0.026 3.663 -6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.386 2.500 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.636 3.318 -8.883 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.602 0.923 -9.151 1.00 0.00 N ATOM 1071 CA PRO A 94 0.291 -0.211 -9.408 1.00 0.00 C ATOM 1072 C PRO A 94 1.702 0.244 -9.779 1.00 0.00 C ATOM 1073 O PRO A 94 1.918 0.838 -10.838 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.371 -0.933 -10.583 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.175 0.115 -11.269 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.626 1.069 -10.199 1.00 0.00 C ATOM 0 HA PRO A 94 0.416 -0.842 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.373 -1.363 -11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.001 -1.753 -10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.580 0.630 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.030 -0.325 -11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.677 2.093 -10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.619 0.815 -9.828 1.00 0.00 H new ATOM 1084 N PHE A 95 2.652 -0.043 -8.901 1.00 0.00 N ATOM 1085 CA PHE A 95 4.031 0.370 -9.100 1.00 0.00 C ATOM 1086 C PHE A 95 4.915 -0.852 -9.320 1.00 0.00 C ATOM 1087 O PHE A 95 5.395 -1.459 -8.357 1.00 0.00 O ATOM 1088 CB PHE A 95 4.526 1.164 -7.889 1.00 0.00 C ATOM 1089 CG PHE A 95 5.840 1.865 -8.108 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.903 3.025 -8.865 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.011 1.369 -7.555 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.107 3.676 -9.066 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.216 2.015 -7.752 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.264 3.169 -8.509 1.00 0.00 C ATOM 0 H PHE A 95 2.490 -0.564 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 95 4.082 1.008 -9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.772 1.904 -7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.625 0.487 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.001 3.425 -9.303 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.980 0.466 -6.963 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.142 4.579 -9.657 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.120 1.618 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.206 3.674 -8.665 1.00 0.00 H new ATOM 1104 N LEU A 96 5.102 -1.211 -10.590 1.00 0.00 N ATOM 1105 CA LEU A 96 5.940 -2.349 -10.976 1.00 0.00 C ATOM 1106 C LEU A 96 5.298 -3.670 -10.561 1.00 0.00 C ATOM 1107 O LEU A 96 4.188 -3.699 -10.022 1.00 0.00 O ATOM 1108 CB LEU A 96 7.345 -2.228 -10.371 1.00 0.00 C ATOM 1109 CG LEU A 96 8.146 -1.001 -10.824 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.514 -0.980 -10.161 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.293 -0.984 -12.338 1.00 0.00 C ATOM 0 H LEU A 96 4.678 -0.723 -11.379 1.00 0.00 H new ATOM 0 HA LEU A 96 6.030 -2.337 -12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.255 -2.203 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.911 -3.125 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 96 7.600 -0.108 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.067 -0.102 -10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.393 -0.942 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.064 -1.881 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.864 -0.106 -12.638 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.814 -1.884 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.306 -0.950 -12.799 1.00 0.00 H new ATOM 1123 N LYS A 97 5.990 -4.762 -10.830 1.00 0.00 N ATOM 1124 CA LYS A 97 5.471 -6.084 -10.531 1.00 0.00 C ATOM 1125 C LYS A 97 6.510 -6.898 -9.772 1.00 0.00 C ATOM 1126 O LYS A 97 7.357 -7.556 -10.372 1.00 0.00 O ATOM 1127 CB LYS A 97 5.083 -6.784 -11.834 1.00 0.00 C ATOM 1128 CG LYS A 97 4.370 -8.113 -11.648 1.00 0.00 C ATOM 1129 CD LYS A 97 4.070 -8.759 -12.993 1.00 0.00 C ATOM 1130 CE LYS A 97 3.154 -7.892 -13.844 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.026 -8.413 -15.229 1.00 0.00 N ATOM 0 H LYS A 97 6.916 -4.759 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 97 4.586 -5.992 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.440 -6.119 -12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.984 -6.949 -12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.988 -8.781 -11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.441 -7.959 -11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.003 -8.936 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.605 -9.732 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.168 -7.844 -13.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.542 -6.874 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.394 -7.794 -15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.963 -8.435 -15.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.631 -9.375 -15.203 1.00 0.00 H new ATOM 1144 N THR A 98 6.442 -6.837 -8.453 1.00 0.00 N ATOM 1145 CA THR A 98 7.408 -7.518 -7.603 1.00 0.00 C ATOM 1146 C THR A 98 7.076 -9.007 -7.481 1.00 0.00 C ATOM 1147 O THR A 98 7.948 -9.855 -7.659 1.00 0.00 O ATOM 1148 CB THR A 98 7.437 -6.875 -6.203 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.429 -5.446 -6.328 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.669 -7.313 -5.425 1.00 0.00 C ATOM 0 H THR A 98 5.725 -6.321 -7.944 1.00 0.00 H new ATOM 0 HA THR A 98 8.391 -7.418 -8.064 1.00 0.00 H new ATOM 0 HB THR A 98 6.552 -7.203 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.446 -5.040 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.664 -6.844 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.661 -8.397 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.567 -7.012 -5.965 1.00 0.00 H new ATOM 1158 N TYR A 99 5.808 -9.306 -7.199 1.00 0.00 N ATOM 1159 CA TYR A 99 5.327 -10.686 -7.043 1.00 0.00 C ATOM 1160 C TYR A 99 5.976 -11.407 -5.863 1.00 0.00 C ATOM 1161 O TYR A 99 7.133 -11.825 -5.920 1.00 0.00 O ATOM 1162 CB TYR A 99 5.532 -11.505 -8.318 1.00 0.00 C ATOM 1163 CG TYR A 99 4.255 -11.710 -9.103 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.149 -12.315 -8.514 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.149 -11.296 -10.421 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.978 -12.500 -9.221 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.980 -11.478 -11.132 1.00 0.00 C ATOM 1168 CZ TYR A 99 1.899 -12.081 -10.529 1.00 0.00 C ATOM 1169 OH TYR A 99 0.733 -12.263 -11.237 1.00 0.00 O ATOM 0 H TYR A 99 5.082 -8.601 -7.071 1.00 0.00 H new ATOM 0 HA TYR A 99 4.259 -10.603 -6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.264 -11.004 -8.951 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.950 -12.477 -8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.208 -12.645 -7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.994 -10.824 -10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.128 -12.971 -8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.913 -11.148 -12.158 1.00 0.00 H new ATOM 0 HH TYR A 99 0.843 -11.911 -12.145 1.00 0.00 H new ATOM 1179 N THR A 100 5.215 -11.546 -4.789 1.00 0.00 N ATOM 1180 CA THR A 100 5.630 -12.339 -3.644 1.00 0.00 C ATOM 1181 C THR A 100 4.392 -12.920 -2.960 1.00 0.00 C ATOM 1182 O THR A 100 3.902 -12.354 -1.978 1.00 0.00 O ATOM 1183 CB THR A 100 6.437 -11.500 -2.630 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.470 -10.769 -3.305 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.064 -12.395 -1.567 1.00 0.00 C ATOM 0 H THR A 100 4.297 -11.114 -4.687 1.00 0.00 H new ATOM 0 HA THR A 100 6.277 -13.140 -4.001 1.00 0.00 H new ATOM 0 HB THR A 100 5.753 -10.802 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.975 -10.239 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.628 -11.783 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.279 -12.932 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.734 -13.111 -2.043 1.00 0.00 H new ATOM 1193 N PRO A 101 3.865 -14.047 -3.489 1.00 0.00 N ATOM 1194 CA PRO A 101 2.616 -14.677 -3.012 1.00 0.00 C ATOM 1195 C PRO A 101 2.722 -15.214 -1.587 1.00 0.00 C ATOM 1196 O PRO A 101 2.696 -16.425 -1.353 1.00 0.00 O ATOM 1197 CB PRO A 101 2.380 -15.828 -4.003 1.00 0.00 C ATOM 1198 CG PRO A 101 3.260 -15.528 -5.168 1.00 0.00 C ATOM 1199 CD PRO A 101 4.446 -14.802 -4.606 1.00 0.00 C ATOM 0 HA PRO A 101 1.801 -13.954 -2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.632 -16.790 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.334 -15.881 -4.303 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.566 -16.444 -5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.739 -14.916 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.220 -15.492 -4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.905 -14.144 -5.344 1.00 0.00 H new ATOM 1207 N GLN A 102 2.828 -14.288 -0.652 1.00 0.00 N ATOM 1208 CA GLN A 102 2.950 -14.577 0.764 1.00 0.00 C ATOM 1209 C GLN A 102 3.081 -13.251 1.492 1.00 0.00 C ATOM 1210 O GLN A 102 2.368 -12.975 2.452 1.00 0.00 O ATOM 1211 CB GLN A 102 4.175 -15.464 1.040 1.00 0.00 C ATOM 1212 CG GLN A 102 4.292 -15.951 2.480 1.00 0.00 C ATOM 1213 CD GLN A 102 4.825 -14.897 3.437 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.622 -14.035 3.054 1.00 0.00 O ATOM 1215 NE2 GLN A 102 4.378 -14.947 4.683 1.00 0.00 N ATOM 0 H GLN A 102 2.832 -13.290 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 102 2.072 -15.121 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.137 -16.330 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.076 -14.907 0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.312 -16.280 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.948 -16.821 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.720 -15.675 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.692 -14.257 5.366 1.00 0.00 H new ATOM 1224 N SER A 103 3.986 -12.425 0.998 1.00 0.00 N ATOM 1225 CA SER A 103 4.219 -11.120 1.580 1.00 0.00 C ATOM 1226 C SER A 103 3.182 -10.117 1.090 1.00 0.00 C ATOM 1227 O SER A 103 2.766 -9.242 1.841 1.00 0.00 O ATOM 1228 CB SER A 103 5.626 -10.638 1.244 1.00 0.00 C ATOM 1229 OG SER A 103 6.598 -11.579 1.670 1.00 0.00 O ATOM 0 H SER A 103 4.573 -12.638 0.191 1.00 0.00 H new ATOM 0 HA SER A 103 4.126 -11.204 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.714 -10.480 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.810 -9.677 1.724 1.00 0.00 H new ATOM 0 HG SER A 103 6.159 -12.302 2.164 1.00 0.00 H new ATOM 1235 N SER A 104 2.764 -10.243 -0.165 1.00 0.00 N ATOM 1236 CA SER A 104 1.752 -9.354 -0.712 1.00 0.00 C ATOM 1237 C SER A 104 0.351 -9.826 -0.322 1.00 0.00 C ATOM 1238 O SER A 104 0.025 -11.012 -0.429 1.00 0.00 O ATOM 1239 CB SER A 104 1.899 -9.258 -2.235 1.00 0.00 C ATOM 1240 OG SER A 104 2.032 -10.542 -2.823 1.00 0.00 O ATOM 0 H SER A 104 3.109 -10.948 -0.817 1.00 0.00 H new ATOM 0 HA SER A 104 1.896 -8.359 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.030 -8.752 -2.655 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.771 -8.651 -2.481 1.00 0.00 H new ATOM 0 HG SER A 104 1.157 -10.983 -2.846 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.469 -8.895 0.144 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.808 -9.214 0.617 1.00 0.00 C ATOM 1248 C ILE A 105 -2.878 -8.477 -0.183 1.00 0.00 C ATOM 1249 O ILE A 105 -2.593 -7.504 -0.887 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.981 -8.866 2.113 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.626 -7.392 2.358 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.137 -9.792 2.982 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.860 -6.923 3.776 1.00 0.00 C ATOM 0 H ILE A 105 -0.228 -7.906 0.205 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.932 -10.288 0.480 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.025 -9.014 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.577 -7.236 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.213 -6.772 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.273 -9.530 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.448 -10.824 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.086 -9.684 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.584 -5.872 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.913 -7.043 4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.252 -7.515 4.460 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.104 -8.958 -0.063 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.261 -8.346 -0.691 1.00 0.00 C ATOM 1267 C ILE A 106 -6.376 -8.193 0.342 1.00 0.00 C ATOM 1268 O ILE A 106 -6.775 -9.164 0.989 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.762 -9.179 -1.899 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.839 -8.971 -3.101 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.199 -8.822 -2.261 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.222 -9.791 -4.317 1.00 0.00 C ATOM 0 H ILE A 106 -4.325 -9.793 0.479 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.969 -7.366 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.743 -10.231 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.842 -7.915 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.819 -9.223 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.520 -9.423 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.849 -9.022 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.257 -7.765 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.521 -9.589 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.191 -10.851 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.230 -9.523 -4.634 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.850 -6.972 0.514 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.884 -6.684 1.495 1.00 0.00 C ATOM 1286 C CYS A 107 -9.242 -6.573 0.808 1.00 0.00 C ATOM 1287 O CYS A 107 -9.332 -6.136 -0.341 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.557 -5.378 2.225 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.855 -5.298 2.873 1.00 0.00 S ATOM 0 H CYS A 107 -6.534 -6.159 -0.015 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.923 -7.497 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.715 -4.543 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.256 -5.251 3.052 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.292 -6.984 1.502 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.641 -6.877 0.973 1.00 0.00 C ATOM 1296 C TYR A 108 -12.500 -6.029 1.901 1.00 0.00 C ATOM 1297 O TYR A 108 -12.407 -6.155 3.124 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.271 -8.261 0.797 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.593 -9.120 -0.254 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.842 -8.916 -1.606 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.705 -10.132 0.103 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.231 -9.692 -2.571 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.089 -10.914 -0.859 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.356 -10.689 -2.194 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.744 -11.463 -3.157 1.00 0.00 O ATOM 0 H TYR A 108 -10.235 -7.395 2.434 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.587 -6.398 -0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.244 -8.785 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.321 -8.139 0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.526 -8.136 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.494 -10.309 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.438 -9.519 -3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.403 -11.696 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.157 -12.119 -2.725 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.325 -5.168 1.325 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.171 -4.308 2.122 1.00 0.00 C ATOM 1317 C GLY A 109 -14.139 -2.866 1.659 1.00 0.00 C ATOM 1318 O GLY A 109 -14.497 -2.561 0.518 1.00 0.00 O ATOM 0 H GLY A 109 -13.423 -5.050 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.196 -4.676 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.855 -4.358 3.164 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.711 -1.981 2.547 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.674 -0.554 2.264 1.00 0.00 C ATOM 1324 C GLN A 110 -12.232 -0.084 2.076 1.00 0.00 C ATOM 1325 O GLN A 110 -11.352 -0.422 2.872 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.332 0.215 3.415 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.233 1.369 2.979 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.489 2.501 2.297 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.404 2.445 0.977 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -14.012 3.428 2.948 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.381 -2.230 3.480 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.222 -0.362 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.921 -0.483 4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.550 0.608 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.995 0.986 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.753 1.762 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.098 3.435 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.530 4.190 2.472 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.010 0.684 1.013 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.699 1.251 0.700 1.00 0.00 C ATOM 1341 C LEU A 111 -10.108 1.974 1.904 1.00 0.00 C ATOM 1342 O LEU A 111 -10.637 2.990 2.354 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.820 2.227 -0.479 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.549 3.013 -0.828 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.474 2.094 -1.389 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.866 4.127 -1.815 1.00 0.00 C ATOM 0 H LEU A 111 -12.736 0.932 0.341 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.032 0.431 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.131 1.666 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.615 2.939 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.166 3.459 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.585 2.677 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.222 1.335 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.844 1.611 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.953 4.674 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.279 3.698 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.593 4.808 -1.373 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.012 1.439 2.422 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.350 2.050 3.554 1.00 0.00 C ATOM 1360 C GLY A 112 -8.326 1.139 4.762 1.00 0.00 C ATOM 1361 O GLY A 112 -7.511 1.320 5.667 1.00 0.00 O ATOM 0 H GLY A 112 -8.568 0.588 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.328 2.311 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.858 2.979 3.812 1.00 0.00 H new ATOM 1365 N SER A 113 -9.219 0.157 4.775 1.00 0.00 N ATOM 1366 CA SER A 113 -9.289 -0.781 5.879 1.00 0.00 C ATOM 1367 C SER A 113 -8.367 -1.973 5.635 1.00 0.00 C ATOM 1368 O SER A 113 -8.413 -2.607 4.579 1.00 0.00 O ATOM 1369 CB SER A 113 -10.727 -1.264 6.089 1.00 0.00 C ATOM 1370 OG SER A 113 -10.836 -2.076 7.251 1.00 0.00 O ATOM 0 H SER A 113 -9.901 -0.007 4.034 1.00 0.00 H new ATOM 0 HA SER A 113 -8.959 -0.264 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.392 -0.405 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.054 -1.829 5.216 1.00 0.00 H new ATOM 0 HG SER A 113 -11.765 -2.368 7.360 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.535 -2.258 6.624 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.630 -3.402 6.591 1.00 0.00 C ATOM 1378 C PHE A 114 -7.038 -4.397 7.668 1.00 0.00 C ATOM 1379 O PHE A 114 -6.203 -5.088 8.254 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.181 -2.953 6.822 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.598 -2.160 5.685 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.767 -0.787 5.621 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.878 -2.790 4.682 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.230 -0.056 4.579 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.338 -2.063 3.642 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.515 -0.694 3.589 1.00 0.00 C ATOM 0 H PHE A 114 -7.466 -1.702 7.476 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.692 -3.873 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.138 -2.352 7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.561 -3.833 6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.325 -0.282 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.739 -3.860 4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.370 1.014 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.776 -2.565 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.094 -0.125 2.773 1.00 0.00 H new ATOM 1396 N SER A 115 -8.335 -4.448 7.930 1.00 0.00 N ATOM 1397 CA SER A 115 -8.880 -5.289 8.981 1.00 0.00 C ATOM 1398 C SER A 115 -8.868 -6.760 8.567 1.00 0.00 C ATOM 1399 O SER A 115 -9.865 -7.281 8.064 1.00 0.00 O ATOM 1400 CB SER A 115 -10.303 -4.837 9.320 1.00 0.00 C ATOM 1401 OG SER A 115 -10.332 -3.449 9.634 1.00 0.00 O ATOM 0 H SER A 115 -9.036 -3.909 7.421 1.00 0.00 H new ATOM 0 HA SER A 115 -8.254 -5.188 9.867 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.964 -5.037 8.476 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.681 -5.413 10.165 1.00 0.00 H new ATOM 0 HG SER A 115 -10.490 -2.932 8.817 1.00 0.00 H new ATOM 1407 N ASN A 116 -7.721 -7.405 8.776 1.00 0.00 N ATOM 1408 CA ASN A 116 -7.541 -8.830 8.488 1.00 0.00 C ATOM 1409 C ASN A 116 -7.653 -9.108 6.991 1.00 0.00 C ATOM 1410 O ASN A 116 -8.684 -9.575 6.500 1.00 0.00 O ATOM 1411 CB ASN A 116 -8.550 -9.681 9.272 1.00 0.00 C ATOM 1412 CG ASN A 116 -8.330 -9.619 10.773 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -7.201 -9.473 11.247 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -9.408 -9.728 11.531 1.00 0.00 N ATOM 0 H ASN A 116 -6.887 -6.954 9.151 1.00 0.00 H new ATOM 0 HA ASN A 116 -6.537 -9.108 8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -9.560 -9.342 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -8.479 -10.717 8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.323 -9.692 12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.325 -9.848 11.100 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.577 -8.826 6.273 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.534 -9.017 4.830 1.00 0.00 C ATOM 1423 C CYS A 117 -6.096 -10.439 4.494 1.00 0.00 C ATOM 1424 O CYS A 117 -5.564 -11.152 5.350 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.568 -8.006 4.218 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.952 -6.279 4.648 1.00 0.00 S ATOM 0 H CYS A 117 -5.712 -8.460 6.671 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.530 -8.862 4.416 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.555 -8.237 4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.582 -8.113 3.133 1.00 0.00 H new ATOM 1431 N SER A 118 -6.319 -10.846 3.252 1.00 0.00 N ATOM 1432 CA SER A 118 -5.999 -12.194 2.811 1.00 0.00 C ATOM 1433 C SER A 118 -4.742 -12.196 1.948 1.00 0.00 C ATOM 1434 O SER A 118 -4.348 -11.165 1.407 1.00 0.00 O ATOM 1435 CB SER A 118 -7.182 -12.768 2.031 1.00 0.00 C ATOM 1436 OG SER A 118 -8.357 -12.763 2.827 1.00 0.00 O ATOM 0 H SER A 118 -6.724 -10.254 2.527 1.00 0.00 H new ATOM 0 HA SER A 118 -5.807 -12.816 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.347 -12.182 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.956 -13.786 1.714 1.00 0.00 H new ATOM 0 HG SER A 118 -9.104 -13.132 2.311 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.112 -13.357 1.833 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.908 -13.504 1.020 1.00 0.00 C ATOM 1444 C HIS A 119 -3.258 -13.494 -0.464 1.00 0.00 C ATOM 1445 O HIS A 119 -4.341 -13.931 -0.857 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.169 -14.798 1.382 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.508 -14.757 2.725 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.248 -14.416 3.080 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 -2.155 -15.090 3.893 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 -0.160 -14.548 4.443 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 -1.324 -14.954 4.909 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.415 -14.215 2.294 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.252 -12.659 1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.875 -15.628 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.415 -15.000 0.621 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.498 -14.117 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.183 -15.413 3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.720 -14.351 5.037 1.00 0.00 H new ATOM 1459 N SER A 120 -2.342 -12.986 -1.280 1.00 0.00 N ATOM 1460 CA SER A 120 -2.564 -12.879 -2.716 1.00 0.00 C ATOM 1461 C SER A 120 -2.441 -14.239 -3.405 1.00 0.00 C ATOM 1462 O SER A 120 -1.471 -14.514 -4.116 1.00 0.00 O ATOM 1463 CB SER A 120 -1.579 -11.874 -3.315 1.00 0.00 C ATOM 1464 OG SER A 120 -0.267 -12.080 -2.811 1.00 0.00 O ATOM 0 H SER A 120 -1.434 -12.640 -0.969 1.00 0.00 H new ATOM 0 HA SER A 120 -3.581 -12.525 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.574 -11.969 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.905 -10.860 -3.085 1.00 0.00 H new ATOM 0 HG SER A 120 -0.212 -11.741 -1.893 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.435 -15.089 -3.187 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.476 -16.401 -3.813 1.00 0.00 C ATOM 1472 C ARG A 121 -4.163 -16.289 -5.172 1.00 0.00 C ATOM 1473 O ARG A 121 -5.209 -16.895 -5.410 1.00 0.00 O ATOM 1474 CB ARG A 121 -4.224 -17.395 -2.917 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.903 -18.852 -3.214 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.461 -19.189 -2.862 1.00 0.00 C ATOM 1477 NE ARG A 121 -2.168 -18.918 -1.452 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.044 -19.275 -0.838 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -0.109 -19.948 -1.491 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.862 -18.979 0.442 1.00 0.00 N ATOM 0 H ARG A 121 -4.228 -14.890 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 121 -2.459 -16.767 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.982 -17.184 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.296 -17.238 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.577 -19.496 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.078 -19.056 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.270 -20.240 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.788 -18.607 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.873 -18.423 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.249 -20.195 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.751 -20.219 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.585 -18.477 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.001 -19.254 0.911 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.577 -15.483 -6.046 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.141 -15.232 -7.363 1.00 0.00 C ATOM 1495 C ASN A 122 -3.037 -15.235 -8.419 1.00 0.00 C ATOM 1496 O ASN A 122 -1.850 -15.139 -8.094 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.894 -13.891 -7.372 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.987 -12.683 -7.193 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.931 -12.760 -6.569 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.407 -11.550 -7.731 1.00 0.00 N ATOM 0 H ASN A 122 -2.704 -14.988 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.848 -16.027 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.434 -13.793 -8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.639 -13.897 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.849 -10.702 -7.635 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.289 -11.524 -8.242 1.00 0.00 H new ATOM 1507 N ASP A 123 -3.429 -15.354 -9.683 1.00 0.00 N ATOM 1508 CA ASP A 123 -2.469 -15.443 -10.781 1.00 0.00 C ATOM 1509 C ASP A 123 -2.257 -14.085 -11.448 1.00 0.00 C ATOM 1510 O ASP A 123 -1.795 -14.009 -12.589 1.00 0.00 O ATOM 1511 CB ASP A 123 -2.938 -16.471 -11.821 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.220 -16.059 -12.523 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -5.272 -15.972 -11.856 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -4.187 -15.831 -13.752 1.00 0.00 O ATOM 0 H ASP A 123 -4.406 -15.391 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.516 -15.767 -10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -2.153 -16.613 -12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.091 -17.432 -11.331 1.00 0.00 H new ATOM 1519 N MET A 124 -2.595 -13.018 -10.734 1.00 0.00 N ATOM 1520 CA MET A 124 -2.405 -11.661 -11.241 1.00 0.00 C ATOM 1521 C MET A 124 -2.274 -10.655 -10.098 1.00 0.00 C ATOM 1522 O MET A 124 -3.149 -9.817 -9.881 1.00 0.00 O ATOM 1523 CB MET A 124 -3.550 -11.251 -12.180 1.00 0.00 C ATOM 1524 CG MET A 124 -4.942 -11.469 -11.606 1.00 0.00 C ATOM 1525 SD MET A 124 -6.225 -10.617 -12.547 1.00 0.00 S ATOM 1526 CE MET A 124 -5.896 -11.212 -14.202 1.00 0.00 C ATOM 0 H MET A 124 -3.003 -13.065 -9.800 1.00 0.00 H new ATOM 0 HA MET A 124 -1.476 -11.657 -11.810 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.436 -10.197 -12.434 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.461 -11.814 -13.109 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.160 -12.537 -11.587 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.963 -11.121 -10.573 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.727 -10.947 -14.856 1.00 0.00 H new ATOM 0 HE2 MET A 124 -4.980 -10.756 -14.577 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.781 -12.296 -14.183 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.181 -10.739 -9.364 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.928 -9.790 -8.290 1.00 0.00 C ATOM 1538 C CYS A 125 0.067 -8.736 -8.754 1.00 0.00 C ATOM 1539 O CYS A 125 1.099 -9.055 -9.347 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.407 -10.494 -7.033 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.097 -9.374 -5.622 1.00 0.00 S ATOM 0 H CYS A 125 -0.458 -11.447 -9.488 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.871 -9.308 -8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.129 -11.252 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.518 -11.015 -7.279 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.259 -7.482 -8.498 1.00 0.00 N ATOM 1547 CA HIS A 126 0.591 -6.369 -8.885 1.00 0.00 C ATOM 1548 C HIS A 126 0.968 -5.583 -7.639 1.00 0.00 C ATOM 1549 O HIS A 126 0.221 -5.570 -6.663 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.134 -5.469 -9.893 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.562 -6.184 -11.138 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.879 -6.289 -11.532 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.162 -6.829 -12.082 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.948 -6.971 -12.659 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.723 -7.308 -13.016 1.00 0.00 N ATOM 0 H HIS A 126 -1.116 -7.206 -8.018 1.00 0.00 H new ATOM 0 HA HIS A 126 1.495 -6.746 -9.363 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.011 -5.035 -9.414 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.522 -4.642 -10.166 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.677 -5.900 -11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.236 -6.945 -12.098 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.852 -7.212 -13.198 1.00 0.00 H new ATOM 1563 N SER A 127 2.121 -4.941 -7.658 1.00 0.00 N ATOM 1564 CA SER A 127 2.594 -4.212 -6.492 1.00 0.00 C ATOM 1565 C SER A 127 1.895 -2.859 -6.379 1.00 0.00 C ATOM 1566 O SER A 127 1.707 -2.163 -7.379 1.00 0.00 O ATOM 1567 CB SER A 127 4.108 -4.016 -6.580 1.00 0.00 C ATOM 1568 OG SER A 127 4.771 -5.256 -6.767 1.00 0.00 O ATOM 0 H SER A 127 2.746 -4.908 -8.463 1.00 0.00 H new ATOM 0 HA SER A 127 2.359 -4.794 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.344 -3.345 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.470 -3.540 -5.669 1.00 0.00 H new ATOM 0 HG SER A 127 5.732 -5.139 -6.614 1.00 0.00 H new ATOM 1574 N LEU A 128 1.484 -2.501 -5.169 1.00 0.00 N ATOM 1575 CA LEU A 128 0.902 -1.186 -4.927 1.00 0.00 C ATOM 1576 C LEU A 128 2.003 -0.203 -4.551 1.00 0.00 C ATOM 1577 O LEU A 128 2.795 -0.466 -3.645 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.147 -1.246 -3.814 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.857 0.078 -3.519 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.740 0.488 -4.688 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.679 -0.029 -2.245 1.00 0.00 C ATOM 0 H LEU A 128 1.542 -3.098 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 128 0.409 -0.852 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.897 -1.991 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.335 -1.594 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.098 0.847 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.235 1.431 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.128 0.609 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.491 -0.282 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.176 0.922 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.427 -0.813 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.024 -0.272 -1.409 1.00 0.00 H new ATOM 1593 N GLY A 129 2.052 0.917 -5.250 1.00 0.00 N ATOM 1594 CA GLY A 129 3.092 1.889 -5.014 1.00 0.00 C ATOM 1595 C GLY A 129 2.546 3.245 -4.644 1.00 0.00 C ATOM 1596 O GLY A 129 1.488 3.656 -5.128 1.00 0.00 O ATOM 0 H GLY A 129 1.386 1.171 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.742 1.533 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.708 1.981 -5.909 1.00 0.00 H new ATOM 1600 N LEU A 130 3.269 3.935 -3.782 1.00 0.00 N ATOM 1601 CA LEU A 130 2.903 5.275 -3.379 1.00 0.00 C ATOM 1602 C LEU A 130 4.082 6.213 -3.619 1.00 0.00 C ATOM 1603 O LEU A 130 5.205 5.937 -3.195 1.00 0.00 O ATOM 1604 CB LEU A 130 2.498 5.287 -1.902 1.00 0.00 C ATOM 1605 CG LEU A 130 2.081 6.648 -1.339 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.864 7.193 -2.069 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.801 6.536 0.151 1.00 0.00 C ATOM 0 H LEU A 130 4.121 3.583 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 130 2.052 5.615 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.672 4.589 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.334 4.911 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 130 2.904 7.346 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.590 8.160 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.097 7.311 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.031 6.499 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.505 7.510 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.996 5.820 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.700 6.198 0.666 1.00 0.00 H new ATOM 1619 N THR A 131 3.835 7.294 -4.335 1.00 0.00 N ATOM 1620 CA THR A 131 4.871 8.271 -4.613 1.00 0.00 C ATOM 1621 C THR A 131 4.600 9.560 -3.847 1.00 0.00 C ATOM 1622 O THR A 131 3.661 10.286 -4.160 1.00 0.00 O ATOM 1623 CB THR A 131 4.956 8.568 -6.124 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.124 7.341 -6.845 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.112 9.510 -6.440 1.00 0.00 C ATOM 0 H THR A 131 2.924 7.518 -4.735 1.00 0.00 H new ATOM 0 HA THR A 131 5.825 7.855 -4.288 1.00 0.00 H new ATOM 0 HB THR A 131 4.029 9.055 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.176 7.530 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.144 9.699 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.970 10.452 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.050 9.054 -6.124 1.00 0.00 H new ATOM 1633 N CYS A 132 5.409 9.820 -2.836 1.00 0.00 N ATOM 1634 CA CYS A 132 5.290 11.037 -2.045 1.00 0.00 C ATOM 1635 C CYS A 132 6.440 11.972 -2.395 1.00 0.00 C ATOM 1636 O CYS A 132 7.531 11.513 -2.740 1.00 0.00 O ATOM 1637 CB CYS A 132 5.328 10.704 -0.548 1.00 0.00 C ATOM 1638 SG CYS A 132 4.200 9.359 -0.043 1.00 0.00 S ATOM 0 H CYS A 132 6.163 9.200 -2.539 1.00 0.00 H new ATOM 0 HA CYS A 132 4.339 11.521 -2.269 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.347 10.428 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.079 11.602 0.018 1.00 0.00 H new ATOM 1643 N LEU A 133 6.192 13.277 -2.336 1.00 0.00 N ATOM 1644 CA LEU A 133 7.239 14.263 -2.583 1.00 0.00 C ATOM 1645 C LEU A 133 8.357 14.128 -1.558 1.00 0.00 C ATOM 1646 O LEU A 133 8.137 13.622 -0.456 1.00 0.00 O ATOM 1647 CB LEU A 133 6.669 15.685 -2.545 1.00 0.00 C ATOM 1648 CG LEU A 133 5.865 16.108 -3.777 1.00 0.00 C ATOM 1649 CD1 LEU A 133 5.192 17.449 -3.538 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.763 16.194 -5.002 1.00 0.00 C ATOM 0 H LEU A 133 5.278 13.675 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 133 7.646 14.076 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.030 15.778 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.494 16.385 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 133 5.099 15.353 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.625 17.734 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.518 17.371 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.950 18.205 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.171 16.496 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.549 16.928 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.213 15.219 -5.193 1.00 0.00 H new ATOM 1662 N GLU A 134 9.548 14.571 -1.939 1.00 0.00 N ATOM 1663 CA GLU A 134 10.724 14.514 -1.074 1.00 0.00 C ATOM 1664 C GLU A 134 10.439 15.154 0.282 1.00 0.00 C ATOM 1665 O GLU A 134 10.319 16.395 0.339 1.00 0.00 O ATOM 1666 CB GLU A 134 11.923 15.224 -1.725 1.00 0.00 C ATOM 1667 CG GLU A 134 12.260 14.754 -3.135 1.00 0.00 C ATOM 1668 CD GLU A 134 11.380 15.389 -4.197 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.732 16.481 -4.689 1.00 0.00 O ATOM 1670 OE2 GLU A 134 10.336 14.804 -4.547 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.358 14.419 1.288 1.00 0.00 O ATOM 0 H GLU A 134 9.728 14.980 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 134 10.967 13.461 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.721 16.295 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.798 15.082 -1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 134 13.303 14.985 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.157 13.670 -3.185 1.00 0.00 H new