USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot 0:sc= 0.467 USER MOD Set 1.2: A 115 SER OG : rot -54:sc= 1.77 USER MOD Set 2.1: A 102 GLN : amide:sc= -0.232 K(o=0.3,f=-1.9) USER MOD Set 2.2: A 103 SER OG : rot -10:sc= 0.536 USER MOD Set 3.1: A 38 THR OG1 : rot 150:sc= -0.591 USER MOD Set 3.2: A 47 GLN : amide:sc= -2.06! K(o=-3.9!,f=-3) USER MOD Set 3.3: A 58 MET CE :methyl 172:sc= -0.959 (180deg=-0.719) USER MOD Set 3.4: A 100 THR OG1 : rot 177:sc= 0.149 USER MOD Set 3.5: A 104 SER OG : rot 75:sc= -0.474 USER MOD Set 3.6: A 127 SER OG : rot -155:sc= 0.0459 USER MOD Set 4.1: A 79 LYS NZ :NH3+ 146:sc= 0.332 (180deg=-0.435) USER MOD Set 4.2: A 82 GLN : amide:sc= 0.383 K(o=0.72,f=-4.5) USER MOD Set 5.1: A 29 TYR OH : rot -159:sc= 0.00717 USER MOD Set 5.2: A 76 GLN : amide:sc= 1.45 K(o=1.5,f=-4.4!) USER MOD Set 6.1: A 68 SER OG : rot 67:sc= 0.778 USER MOD Set 6.2: A 126 HIS : no HD1:sc= -1.04! C(o=-0.26!,f=-3.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.065) USER MOD Single : A 42 SER OG : rot -137:sc= 1.27 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.92 K(o=-0.92,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= -0.0597 (180deg=-0.0954) USER MOD Single : A 57 HIS : no HE2:sc= 0.843 K(o=0.84,f=-2.5!) USER MOD Single : A 61 SER OG : rot 82:sc= 0.296 USER MOD Single : A 62 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.9) USER MOD Single : A 63 SER OG : rot 92:sc= 1.91 USER MOD Single : A 67 SER OG : rot 180:sc= 0.925 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.835 K(o=-0.83,f=-2.6!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -2.13! C(o=-2.1!,f=-9.8!) USER MOD Single : A 124 MET CE :methyl 167:sc= -0.0533 (180deg=-0.314) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.355 -1.436 10.922 1.00 0.00 N ATOM 24 CA LEU A 26 -7.134 -0.714 10.609 1.00 0.00 C ATOM 25 C LEU A 26 -7.345 0.116 9.354 1.00 0.00 C ATOM 26 O LEU A 26 -7.907 -0.366 8.375 1.00 0.00 O ATOM 27 CB LEU A 26 -5.968 -1.688 10.400 1.00 0.00 C ATOM 28 CG LEU A 26 -5.565 -2.508 11.629 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.508 -3.532 11.253 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.050 -1.601 12.739 1.00 0.00 C ATOM 0 HA LEU A 26 -6.889 -0.058 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.232 -2.376 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.100 -1.121 10.063 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.448 -3.031 11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.230 -4.109 12.135 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.906 -4.203 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.629 -3.020 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.770 -2.205 13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.179 -1.050 12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.832 -0.898 13.027 1.00 0.00 H new ATOM 42 N SER A 27 -6.944 1.371 9.394 1.00 0.00 N ATOM 43 CA SER A 27 -7.040 2.239 8.235 1.00 0.00 C ATOM 44 C SER A 27 -5.839 3.171 8.188 1.00 0.00 C ATOM 45 O SER A 27 -5.207 3.433 9.213 1.00 0.00 O ATOM 46 CB SER A 27 -8.342 3.047 8.288 1.00 0.00 C ATOM 47 OG SER A 27 -9.470 2.187 8.368 1.00 0.00 O ATOM 0 H SER A 27 -6.546 1.815 10.221 1.00 0.00 H new ATOM 0 HA SER A 27 -7.047 1.629 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.326 3.714 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.421 3.675 7.401 1.00 0.00 H new ATOM 0 HG SER A 27 -10.289 2.724 8.402 1.00 0.00 H new ATOM 53 N TRP A 28 -5.527 3.674 7.000 1.00 0.00 N ATOM 54 CA TRP A 28 -4.390 4.577 6.825 1.00 0.00 C ATOM 55 C TRP A 28 -4.713 5.994 7.302 1.00 0.00 C ATOM 56 O TRP A 28 -4.249 6.978 6.727 1.00 0.00 O ATOM 57 CB TRP A 28 -3.910 4.591 5.362 1.00 0.00 C ATOM 58 CG TRP A 28 -4.997 4.733 4.331 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.213 5.338 4.481 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.946 4.275 2.972 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.926 5.266 3.309 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.168 4.622 2.367 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.986 3.602 2.210 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.457 4.319 1.039 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.272 3.302 0.890 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.499 3.661 0.317 1.00 0.00 C ATOM 0 H TRP A 28 -6.043 3.474 6.143 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.579 4.196 7.446 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.203 5.411 5.236 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.365 3.668 5.167 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.563 5.805 5.390 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.867 5.632 3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.038 3.321 2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.403 4.593 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.538 2.783 0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.693 3.413 -0.716 1.00 0.00 H new ATOM 77 N TYR A 29 -5.520 6.082 8.350 1.00 0.00 N ATOM 78 CA TYR A 29 -5.811 7.347 9.002 1.00 0.00 C ATOM 79 C TYR A 29 -5.707 7.208 10.520 1.00 0.00 C ATOM 80 O TYR A 29 -5.856 8.188 11.251 1.00 0.00 O ATOM 81 CB TYR A 29 -7.200 7.865 8.610 1.00 0.00 C ATOM 82 CG TYR A 29 -7.236 8.562 7.266 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.877 9.900 7.153 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.623 7.890 6.115 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.903 10.545 5.931 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.651 8.529 4.889 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.290 9.857 4.802 1.00 0.00 C ATOM 88 OH TYR A 29 -7.307 10.497 3.584 1.00 0.00 O ATOM 0 H TYR A 29 -5.989 5.280 8.770 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.070 8.072 8.666 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.898 7.028 8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.549 8.556 9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.573 10.445 8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.907 6.850 6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.621 11.585 5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.954 7.990 4.003 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.903 10.018 2.971 1.00 0.00 H new ATOM 98 N ASP A 30 -5.440 5.990 10.989 1.00 0.00 N ATOM 99 CA ASP A 30 -5.296 5.737 12.420 1.00 0.00 C ATOM 100 C ASP A 30 -3.920 6.186 12.893 1.00 0.00 C ATOM 101 O ASP A 30 -2.914 5.955 12.220 1.00 0.00 O ATOM 102 CB ASP A 30 -5.491 4.251 12.746 1.00 0.00 C ATOM 103 CG ASP A 30 -6.898 3.761 12.471 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.809 4.063 13.269 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.106 3.071 11.455 1.00 0.00 O ATOM 0 H ASP A 30 -5.319 5.166 10.400 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.067 6.306 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.786 3.661 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.252 4.081 13.796 1.00 0.00 H new ATOM 110 N PRO A 31 -3.863 6.831 14.068 1.00 0.00 N ATOM 111 CA PRO A 31 -2.630 7.421 14.600 1.00 0.00 C ATOM 112 C PRO A 31 -1.579 6.381 14.971 1.00 0.00 C ATOM 113 O PRO A 31 -0.401 6.703 15.113 1.00 0.00 O ATOM 114 CB PRO A 31 -3.101 8.173 15.848 1.00 0.00 C ATOM 115 CG PRO A 31 -4.365 7.500 16.249 1.00 0.00 C ATOM 116 CD PRO A 31 -5.008 7.036 14.973 1.00 0.00 C ATOM 0 HA PRO A 31 -2.141 8.053 13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.357 8.122 16.643 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.267 9.229 15.633 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.166 6.660 16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.018 8.186 16.789 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.574 6.116 15.120 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.703 7.778 14.580 1.00 0.00 H new ATOM 124 N ASP A 32 -2.000 5.136 15.134 1.00 0.00 N ATOM 125 CA ASP A 32 -1.080 4.065 15.497 1.00 0.00 C ATOM 126 C ASP A 32 -0.794 3.157 14.305 1.00 0.00 C ATOM 127 O ASP A 32 -0.107 2.141 14.436 1.00 0.00 O ATOM 128 CB ASP A 32 -1.648 3.241 16.654 1.00 0.00 C ATOM 129 CG ASP A 32 -2.855 2.424 16.247 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.922 3.020 16.002 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.739 1.183 16.164 1.00 0.00 O ATOM 0 H ASP A 32 -2.970 4.841 15.021 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.143 4.524 15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.874 2.575 17.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.924 3.909 17.470 1.00 0.00 H new ATOM 136 N PHE A 33 -1.310 3.530 13.140 1.00 0.00 N ATOM 137 CA PHE A 33 -1.108 2.739 11.933 1.00 0.00 C ATOM 138 C PHE A 33 0.345 2.831 11.486 1.00 0.00 C ATOM 139 O PHE A 33 0.908 3.925 11.389 1.00 0.00 O ATOM 140 CB PHE A 33 -2.047 3.210 10.816 1.00 0.00 C ATOM 141 CG PHE A 33 -1.934 2.422 9.539 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.347 1.099 9.483 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.421 3.009 8.393 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.250 0.378 8.308 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.324 2.295 7.216 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.737 0.978 7.173 1.00 0.00 C ATOM 0 H PHE A 33 -1.869 4.372 13.006 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.340 1.697 12.155 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.075 3.154 11.174 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.841 4.259 10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.749 0.627 10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.093 4.038 8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.574 -0.652 8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.925 2.766 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.659 0.417 6.253 1.00 0.00 H new ATOM 156 N GLN A 34 0.951 1.680 11.236 1.00 0.00 N ATOM 157 CA GLN A 34 2.341 1.622 10.814 1.00 0.00 C ATOM 158 C GLN A 34 2.439 1.173 9.365 1.00 0.00 C ATOM 159 O GLN A 34 1.941 0.105 9.001 1.00 0.00 O ATOM 160 CB GLN A 34 3.141 0.671 11.705 1.00 0.00 C ATOM 161 CG GLN A 34 3.277 1.140 13.142 1.00 0.00 C ATOM 162 CD GLN A 34 4.193 0.248 13.956 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.752 -0.715 14.577 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.477 0.568 13.958 1.00 0.00 N ATOM 0 H GLN A 34 0.499 0.770 11.319 1.00 0.00 H new ATOM 0 HA GLN A 34 2.762 2.623 10.906 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.662 -0.308 11.697 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.136 0.542 11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.662 2.160 13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.292 1.166 13.608 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.802 1.377 13.428 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.142 0.006 14.489 1.00 0.00 H new ATOM 173 N ALA A 35 3.078 1.989 8.543 1.00 0.00 N ATOM 174 CA ALA A 35 3.271 1.665 7.141 1.00 0.00 C ATOM 175 C ALA A 35 4.592 2.221 6.645 1.00 0.00 C ATOM 176 O ALA A 35 5.128 3.171 7.218 1.00 0.00 O ATOM 177 CB ALA A 35 2.122 2.206 6.305 1.00 0.00 C ATOM 0 H ALA A 35 3.474 2.886 8.826 1.00 0.00 H new ATOM 0 HA ALA A 35 3.291 0.580 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.284 1.954 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.185 1.764 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.072 3.289 6.414 1.00 0.00 H new ATOM 183 N ARG A 36 5.115 1.623 5.590 1.00 0.00 N ATOM 184 CA ARG A 36 6.376 2.048 5.014 1.00 0.00 C ATOM 185 C ARG A 36 6.380 1.779 3.519 1.00 0.00 C ATOM 186 O ARG A 36 5.568 1.006 3.016 1.00 0.00 O ATOM 187 CB ARG A 36 7.542 1.311 5.694 1.00 0.00 C ATOM 188 CG ARG A 36 7.551 -0.197 5.461 1.00 0.00 C ATOM 189 CD ARG A 36 8.442 -0.587 4.293 1.00 0.00 C ATOM 190 NE ARG A 36 9.861 -0.459 4.617 1.00 0.00 N ATOM 191 CZ ARG A 36 10.791 -1.298 4.173 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.455 -2.301 3.375 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.059 -1.134 4.515 1.00 0.00 N ATOM 0 H ARG A 36 4.680 0.834 5.111 1.00 0.00 H new ATOM 0 HA ARG A 36 6.499 3.119 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.481 1.729 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.501 1.501 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.895 -0.701 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.534 -0.541 5.272 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.228 -1.616 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.209 0.042 3.434 1.00 0.00 H new ATOM 0 HE ARG A 36 10.153 0.314 5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.481 -2.430 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.170 -2.944 3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.327 -0.360 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.768 -1.782 4.171 1.00 0.00 H new ATOM 206 N LEU A 37 7.276 2.435 2.815 1.00 0.00 N ATOM 207 CA LEU A 37 7.501 2.141 1.419 1.00 0.00 C ATOM 208 C LEU A 37 8.841 1.446 1.280 1.00 0.00 C ATOM 209 O LEU A 37 9.846 1.927 1.805 1.00 0.00 O ATOM 210 CB LEU A 37 7.469 3.421 0.582 1.00 0.00 C ATOM 211 CG LEU A 37 6.146 4.185 0.628 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.234 5.456 -0.194 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.007 3.318 0.120 1.00 0.00 C ATOM 0 H LEU A 37 7.863 3.180 3.190 1.00 0.00 H new ATOM 0 HA LEU A 37 6.708 1.489 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.266 4.082 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.689 3.166 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 37 5.947 4.451 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.282 5.985 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.023 6.093 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.460 5.204 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.075 3.881 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.207 3.022 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.921 2.428 0.743 1.00 0.00 H new ATOM 225 N THR A 38 8.842 0.298 0.612 1.00 0.00 N ATOM 226 CA THR A 38 10.063 -0.470 0.410 1.00 0.00 C ATOM 227 C THR A 38 11.130 0.423 -0.205 1.00 0.00 C ATOM 228 O THR A 38 10.818 1.201 -1.109 1.00 0.00 O ATOM 229 CB THR A 38 9.817 -1.677 -0.511 1.00 0.00 C ATOM 230 OG1 THR A 38 9.309 -1.217 -1.769 1.00 0.00 O ATOM 231 CG2 THR A 38 8.830 -2.652 0.118 1.00 0.00 C ATOM 0 H THR A 38 8.008 -0.121 0.201 1.00 0.00 H new ATOM 0 HA THR A 38 10.396 -0.840 1.380 1.00 0.00 H new ATOM 0 HB THR A 38 10.762 -2.199 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.589 -1.831 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.674 -3.496 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.229 -3.012 1.066 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.880 -2.147 0.292 1.00 0.00 H new ATOM 239 N ARG A 39 12.370 0.301 0.276 1.00 0.00 N ATOM 240 CA ARG A 39 13.438 1.249 -0.064 1.00 0.00 C ATOM 241 C ARG A 39 13.502 1.561 -1.561 1.00 0.00 C ATOM 242 O ARG A 39 13.739 2.710 -1.930 1.00 0.00 O ATOM 243 CB ARG A 39 14.803 0.769 0.475 1.00 0.00 C ATOM 244 CG ARG A 39 15.180 -0.661 0.107 1.00 0.00 C ATOM 245 CD ARG A 39 15.802 -0.746 -1.277 1.00 0.00 C ATOM 246 NE ARG A 39 16.092 -2.125 -1.662 1.00 0.00 N ATOM 247 CZ ARG A 39 15.789 -2.642 -2.847 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.155 -1.909 -3.750 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.109 -3.893 -3.126 1.00 0.00 N ATOM 0 H ARG A 39 12.661 -0.448 0.905 1.00 0.00 H new ATOM 0 HA ARG A 39 13.191 2.188 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.578 1.439 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.798 0.858 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.881 -1.053 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.292 -1.292 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.126 -0.300 -2.007 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.722 -0.162 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 39 16.555 -2.726 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.899 -0.945 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.923 -2.308 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.590 -4.464 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.875 -4.288 -4.037 1.00 0.00 H new ATOM 262 N SER A 40 13.272 0.538 -2.400 1.00 0.00 N ATOM 263 CA SER A 40 13.192 0.691 -3.860 1.00 0.00 C ATOM 264 C SER A 40 14.327 1.564 -4.398 1.00 0.00 C ATOM 265 O SER A 40 15.438 1.083 -4.631 1.00 0.00 O ATOM 266 CB SER A 40 11.824 1.268 -4.258 1.00 0.00 C ATOM 267 OG SER A 40 11.685 1.380 -5.667 1.00 0.00 O ATOM 0 H SER A 40 13.136 -0.422 -2.082 1.00 0.00 H new ATOM 0 HA SER A 40 13.302 -0.296 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.033 0.630 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.698 2.250 -3.802 1.00 0.00 H new ATOM 0 HG SER A 40 10.802 1.749 -5.880 1.00 0.00 H new ATOM 273 N ASN A 41 14.037 2.844 -4.590 1.00 0.00 N ATOM 274 CA ASN A 41 15.046 3.815 -4.972 1.00 0.00 C ATOM 275 C ASN A 41 14.918 5.057 -4.093 1.00 0.00 C ATOM 276 O ASN A 41 15.837 5.867 -3.994 1.00 0.00 O ATOM 277 CB ASN A 41 14.896 4.189 -6.446 1.00 0.00 C ATOM 278 CG ASN A 41 16.095 4.945 -6.989 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.956 5.812 -7.846 1.00 0.00 O ATOM 280 ND2 ASN A 41 17.285 4.604 -6.511 1.00 0.00 N ATOM 0 H ASN A 41 13.100 3.234 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 41 16.034 3.377 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.749 3.282 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.001 4.799 -6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.125 5.068 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.359 3.878 -5.798 1.00 0.00 H new ATOM 287 N SER A 42 13.766 5.187 -3.445 1.00 0.00 N ATOM 288 CA SER A 42 13.509 6.272 -2.514 1.00 0.00 C ATOM 289 C SER A 42 12.497 5.791 -1.479 1.00 0.00 C ATOM 290 O SER A 42 11.561 5.066 -1.818 1.00 0.00 O ATOM 291 CB SER A 42 12.975 7.503 -3.255 1.00 0.00 C ATOM 292 OG SER A 42 12.965 8.649 -2.414 1.00 0.00 O ATOM 0 H SER A 42 12.985 4.540 -3.553 1.00 0.00 H new ATOM 0 HA SER A 42 14.436 6.560 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.592 7.698 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.965 7.304 -3.614 1.00 0.00 H new ATOM 0 HG SER A 42 12.124 9.138 -2.537 1.00 0.00 H new ATOM 298 N LYS A 43 12.678 6.196 -0.231 1.00 0.00 N ATOM 299 CA LYS A 43 11.850 5.698 0.864 1.00 0.00 C ATOM 300 C LYS A 43 10.468 6.342 0.868 1.00 0.00 C ATOM 301 O LYS A 43 9.648 6.054 1.734 1.00 0.00 O ATOM 302 CB LYS A 43 12.533 5.925 2.213 1.00 0.00 C ATOM 303 CG LYS A 43 13.741 5.031 2.456 1.00 0.00 C ATOM 304 CD LYS A 43 14.319 5.255 3.845 1.00 0.00 C ATOM 305 CE LYS A 43 15.447 4.281 4.153 1.00 0.00 C ATOM 306 NZ LYS A 43 16.011 4.502 5.513 1.00 0.00 N ATOM 0 H LYS A 43 13.391 6.869 0.052 1.00 0.00 H new ATOM 0 HA LYS A 43 11.724 4.627 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.846 6.967 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.806 5.760 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.452 3.986 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.504 5.234 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.690 6.277 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.530 5.144 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.076 3.259 4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.236 4.392 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.777 3.820 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.387 5.469 5.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.264 4.371 6.224 1.00 0.00 H new ATOM 319 N CYS A 44 10.223 7.227 -0.086 1.00 0.00 N ATOM 320 CA CYS A 44 8.895 7.786 -0.278 1.00 0.00 C ATOM 321 C CYS A 44 8.430 7.548 -1.708 1.00 0.00 C ATOM 322 O CYS A 44 7.572 8.261 -2.224 1.00 0.00 O ATOM 323 CB CYS A 44 8.860 9.277 0.073 1.00 0.00 C ATOM 324 SG CYS A 44 8.786 9.606 1.867 1.00 0.00 S ATOM 0 H CYS A 44 10.926 7.573 -0.739 1.00 0.00 H new ATOM 0 HA CYS A 44 8.208 7.279 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.746 9.759 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.995 9.734 -0.407 1.00 0.00 H new ATOM 329 N GLN A 45 8.999 6.524 -2.333 1.00 0.00 N ATOM 330 CA GLN A 45 8.608 6.121 -3.677 1.00 0.00 C ATOM 331 C GLN A 45 8.928 4.643 -3.879 1.00 0.00 C ATOM 332 O GLN A 45 10.010 4.280 -4.347 1.00 0.00 O ATOM 333 CB GLN A 45 9.321 6.979 -4.725 1.00 0.00 C ATOM 334 CG GLN A 45 9.001 6.600 -6.165 1.00 0.00 C ATOM 335 CD GLN A 45 9.693 7.493 -7.183 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.187 7.707 -8.285 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.851 8.027 -6.824 1.00 0.00 N ATOM 0 H GLN A 45 9.740 5.953 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 45 7.535 6.270 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.052 8.023 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.397 6.901 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.297 5.565 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.923 6.652 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.241 7.828 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.353 8.637 -7.469 1.00 0.00 H new ATOM 346 N GLY A 46 7.985 3.793 -3.511 1.00 0.00 N ATOM 347 CA GLY A 46 8.209 2.368 -3.585 1.00 0.00 C ATOM 348 C GLY A 46 6.956 1.579 -3.285 1.00 0.00 C ATOM 349 O GLY A 46 5.861 2.144 -3.249 1.00 0.00 O ATOM 0 H GLY A 46 7.066 4.066 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.570 2.110 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.991 2.087 -2.880 1.00 0.00 H new ATOM 353 N GLN A 47 7.119 0.277 -3.076 1.00 0.00 N ATOM 354 CA GLN A 47 6.002 -0.604 -2.756 1.00 0.00 C ATOM 355 C GLN A 47 5.462 -0.306 -1.364 1.00 0.00 C ATOM 356 O GLN A 47 6.229 -0.090 -0.423 1.00 0.00 O ATOM 357 CB GLN A 47 6.446 -2.067 -2.823 1.00 0.00 C ATOM 358 CG GLN A 47 6.799 -2.541 -4.222 1.00 0.00 C ATOM 359 CD GLN A 47 7.447 -3.914 -4.223 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.265 -4.698 -5.151 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.223 -4.206 -3.189 1.00 0.00 N ATOM 0 H GLN A 47 8.022 -0.195 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 47 5.213 -0.429 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.312 -2.204 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.649 -2.697 -2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.896 -2.568 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.475 -1.823 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.349 -3.527 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.695 -5.109 -3.144 1.00 0.00 H new ATOM 370 N LEU A 48 4.144 -0.296 -1.243 1.00 0.00 N ATOM 371 CA LEU A 48 3.498 -0.067 0.038 1.00 0.00 C ATOM 372 C LEU A 48 3.568 -1.320 0.898 1.00 0.00 C ATOM 373 O LEU A 48 2.998 -2.357 0.554 1.00 0.00 O ATOM 374 CB LEU A 48 2.040 0.360 -0.161 1.00 0.00 C ATOM 375 CG LEU A 48 1.266 0.673 1.124 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.896 1.841 1.869 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.187 0.973 0.804 1.00 0.00 C ATOM 0 H LEU A 48 3.500 -0.444 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 48 4.026 0.738 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.022 1.243 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.517 -0.432 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 48 1.310 -0.204 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.328 2.043 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.924 1.593 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.888 2.726 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.725 1.194 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.243 1.833 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.639 0.108 0.319 1.00 0.00 H new ATOM 389 N GLU A 49 4.287 -1.219 2.004 1.00 0.00 N ATOM 390 CA GLU A 49 4.407 -2.315 2.948 1.00 0.00 C ATOM 391 C GLU A 49 3.849 -1.867 4.291 1.00 0.00 C ATOM 392 O GLU A 49 4.290 -0.864 4.847 1.00 0.00 O ATOM 393 CB GLU A 49 5.872 -2.742 3.085 1.00 0.00 C ATOM 394 CG GLU A 49 6.065 -4.103 3.733 1.00 0.00 C ATOM 395 CD GLU A 49 7.522 -4.512 3.793 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.321 -3.799 4.437 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.874 -5.550 3.197 1.00 0.00 O ATOM 0 H GLU A 49 4.801 -0.379 2.271 1.00 0.00 H new ATOM 0 HA GLU A 49 3.842 -3.175 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.329 -2.755 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.404 -1.993 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.654 -4.083 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.503 -4.851 3.174 1.00 0.00 H new ATOM 404 N VAL A 50 2.870 -2.591 4.796 1.00 0.00 N ATOM 405 CA VAL A 50 2.175 -2.171 6.004 1.00 0.00 C ATOM 406 C VAL A 50 2.396 -3.146 7.149 1.00 0.00 C ATOM 407 O VAL A 50 2.600 -4.343 6.935 1.00 0.00 O ATOM 408 CB VAL A 50 0.656 -2.005 5.767 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.381 -0.876 4.781 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.040 -3.305 5.268 1.00 0.00 C ATOM 0 H VAL A 50 2.537 -3.468 4.395 1.00 0.00 H new ATOM 0 HA VAL A 50 2.598 -1.203 6.274 1.00 0.00 H new ATOM 0 HB VAL A 50 0.195 -1.749 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.694 -0.778 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.778 0.058 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.862 -1.099 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.029 -3.163 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.512 -3.594 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.196 -4.089 6.009 1.00 0.00 H new ATOM 420 N TYR A 51 2.366 -2.620 8.364 1.00 0.00 N ATOM 421 CA TYR A 51 2.486 -3.442 9.554 1.00 0.00 C ATOM 422 C TYR A 51 1.106 -3.713 10.120 1.00 0.00 C ATOM 423 O TYR A 51 0.471 -2.825 10.694 1.00 0.00 O ATOM 424 CB TYR A 51 3.357 -2.759 10.612 1.00 0.00 C ATOM 425 CG TYR A 51 3.535 -3.586 11.871 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.494 -4.593 11.940 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.732 -3.371 12.986 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.646 -5.352 13.085 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.879 -4.128 14.130 1.00 0.00 C ATOM 430 CZ TYR A 51 3.837 -5.116 14.174 1.00 0.00 C ATOM 431 OH TYR A 51 3.981 -5.876 15.312 1.00 0.00 O ATOM 0 H TYR A 51 2.259 -1.623 8.550 1.00 0.00 H new ATOM 0 HA TYR A 51 2.964 -4.382 9.278 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.337 -2.547 10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.910 -1.800 10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.128 -4.784 11.087 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.979 -2.597 12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.397 -6.127 13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.246 -3.947 14.986 1.00 0.00 H new ATOM 0 HH TYR A 51 3.335 -5.580 15.987 1.00 0.00 H new ATOM 441 N LEU A 52 0.639 -4.931 9.943 1.00 0.00 N ATOM 442 CA LEU A 52 -0.663 -5.318 10.446 1.00 0.00 C ATOM 443 C LEU A 52 -0.494 -6.324 11.575 1.00 0.00 C ATOM 444 O LEU A 52 0.618 -6.521 12.066 1.00 0.00 O ATOM 445 CB LEU A 52 -1.519 -5.907 9.318 1.00 0.00 C ATOM 446 CG LEU A 52 -1.674 -5.024 8.076 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.588 -5.691 7.061 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.208 -3.649 8.449 1.00 0.00 C ATOM 0 H LEU A 52 1.142 -5.671 9.454 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.175 -4.437 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.083 -6.858 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.511 -6.124 9.714 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.689 -4.895 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.687 -5.050 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.163 -6.650 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.570 -5.852 7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.309 -3.042 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.182 -3.754 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.516 -3.165 9.138 1.00 0.00 H new ATOM 460 N LYS A 53 -1.582 -6.964 11.976 1.00 0.00 N ATOM 461 CA LYS A 53 -1.538 -7.958 13.047 1.00 0.00 C ATOM 462 C LYS A 53 -0.556 -9.080 12.706 1.00 0.00 C ATOM 463 O LYS A 53 0.033 -9.703 13.590 1.00 0.00 O ATOM 464 CB LYS A 53 -2.930 -8.550 13.286 1.00 0.00 C ATOM 465 CG LYS A 53 -4.010 -7.509 13.552 1.00 0.00 C ATOM 466 CD LYS A 53 -5.368 -8.156 13.792 1.00 0.00 C ATOM 467 CE LYS A 53 -5.781 -9.051 12.632 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.879 -8.302 11.352 1.00 0.00 N ATOM 0 H LYS A 53 -2.509 -6.815 11.578 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.201 -7.458 13.955 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.216 -9.141 12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.882 -9.233 14.134 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.733 -6.911 14.420 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.076 -6.828 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.334 -8.743 14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.120 -7.380 13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.058 -9.859 12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.743 -9.512 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.244 -8.931 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.524 -7.495 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.937 -7.955 11.080 1.00 0.00 H new ATOM 481 N ASP A 54 -0.374 -9.319 11.417 1.00 0.00 N ATOM 482 CA ASP A 54 0.480 -10.404 10.949 1.00 0.00 C ATOM 483 C ASP A 54 1.863 -9.902 10.550 1.00 0.00 C ATOM 484 O ASP A 54 2.604 -10.592 9.845 1.00 0.00 O ATOM 485 CB ASP A 54 -0.181 -11.117 9.768 1.00 0.00 C ATOM 486 CG ASP A 54 -1.533 -11.687 10.138 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.576 -12.811 10.679 1.00 0.00 O ATOM 488 OD2 ASP A 54 -2.552 -11.005 9.911 1.00 0.00 O ATOM 0 H ASP A 54 -0.808 -8.774 10.671 1.00 0.00 H new ATOM 0 HA ASP A 54 0.608 -11.106 11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.296 -10.418 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.468 -11.920 9.419 1.00 0.00 H new ATOM 493 N GLY A 55 2.208 -8.699 10.993 1.00 0.00 N ATOM 494 CA GLY A 55 3.528 -8.159 10.729 1.00 0.00 C ATOM 495 C GLY A 55 3.580 -7.333 9.460 1.00 0.00 C ATOM 496 O GLY A 55 2.546 -6.872 8.971 1.00 0.00 O ATOM 0 H GLY A 55 1.595 -8.087 11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.839 -7.542 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.243 -8.979 10.653 1.00 0.00 H new ATOM 500 N TRP A 56 4.783 -7.151 8.929 1.00 0.00 N ATOM 501 CA TRP A 56 4.983 -6.363 7.718 1.00 0.00 C ATOM 502 C TRP A 56 4.622 -7.169 6.477 1.00 0.00 C ATOM 503 O TRP A 56 5.195 -8.229 6.221 1.00 0.00 O ATOM 504 CB TRP A 56 6.433 -5.880 7.613 1.00 0.00 C ATOM 505 CG TRP A 56 6.801 -4.863 8.650 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.500 -5.079 9.802 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.484 -3.467 8.629 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.635 -3.904 10.499 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.018 -2.899 9.802 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.799 -2.639 7.733 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.887 -1.544 10.099 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.669 -1.297 8.033 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.210 -0.761 9.205 1.00 0.00 C ATOM 0 H TRP A 56 5.640 -7.541 9.321 1.00 0.00 H new ATOM 0 HA TRP A 56 4.325 -5.496 7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.100 -6.737 7.703 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.595 -5.453 6.623 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.890 -6.035 10.119 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.117 -3.797 11.392 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.379 -3.042 6.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.305 -1.127 11.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.140 -0.650 7.349 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.091 0.293 9.409 1.00 0.00 H new ATOM 524 N HIS A 57 3.670 -6.666 5.709 1.00 0.00 N ATOM 525 CA HIS A 57 3.259 -7.319 4.479 1.00 0.00 C ATOM 526 C HIS A 57 3.075 -6.308 3.359 1.00 0.00 C ATOM 527 O HIS A 57 2.613 -5.186 3.587 1.00 0.00 O ATOM 528 CB HIS A 57 1.965 -8.108 4.683 1.00 0.00 C ATOM 529 CG HIS A 57 2.186 -9.520 5.130 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.386 -10.561 4.247 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.229 -10.065 6.368 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.540 -11.685 4.920 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.449 -11.414 6.210 1.00 0.00 N ATOM 0 H HIS A 57 3.166 -5.804 5.917 1.00 0.00 H new ATOM 0 HA HIS A 57 4.051 -8.012 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.349 -7.595 5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.403 -8.115 3.749 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.411 -10.475 3.231 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.112 -9.540 7.304 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.711 -12.661 4.490 1.00 0.00 H new ATOM 541 N MET A 58 3.455 -6.714 2.157 1.00 0.00 N ATOM 542 CA MET A 58 3.313 -5.879 0.975 1.00 0.00 C ATOM 543 C MET A 58 1.847 -5.769 0.578 1.00 0.00 C ATOM 544 O MET A 58 1.108 -6.752 0.645 1.00 0.00 O ATOM 545 CB MET A 58 4.106 -6.477 -0.189 1.00 0.00 C ATOM 546 CG MET A 58 5.603 -6.573 0.057 1.00 0.00 C ATOM 547 SD MET A 58 6.447 -7.525 -1.225 1.00 0.00 S ATOM 548 CE MET A 58 5.832 -6.724 -2.706 1.00 0.00 C ATOM 0 H MET A 58 3.869 -7.628 1.974 1.00 0.00 H new ATOM 0 HA MET A 58 3.699 -4.886 1.207 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.720 -7.474 -0.402 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.934 -5.872 -1.079 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.027 -5.570 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.781 -7.037 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.369 -7.104 -3.575 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.768 -6.932 -2.817 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.985 -5.648 -2.628 1.00 0.00 H new ATOM 558 N VAL A 59 1.424 -4.586 0.167 1.00 0.00 N ATOM 559 CA VAL A 59 0.052 -4.387 -0.273 1.00 0.00 C ATOM 560 C VAL A 59 -0.053 -4.587 -1.779 1.00 0.00 C ATOM 561 O VAL A 59 0.677 -3.965 -2.555 1.00 0.00 O ATOM 562 CB VAL A 59 -0.478 -2.982 0.093 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.913 -2.800 -0.388 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.390 -2.753 1.592 1.00 0.00 C ATOM 0 H VAL A 59 2.008 -3.751 0.128 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.560 -5.125 0.245 1.00 0.00 H new ATOM 0 HB VAL A 59 0.147 -2.243 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.263 -1.804 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.951 -2.918 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.552 -3.548 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.767 -1.759 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.988 -3.502 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.649 -2.833 1.912 1.00 0.00 H new ATOM 574 N CYS A 60 -0.950 -5.467 -2.189 1.00 0.00 N ATOM 575 CA CYS A 60 -1.176 -5.713 -3.599 1.00 0.00 C ATOM 576 C CYS A 60 -2.294 -4.794 -4.087 1.00 0.00 C ATOM 577 O CYS A 60 -3.294 -4.598 -3.393 1.00 0.00 O ATOM 578 CB CYS A 60 -1.533 -7.186 -3.825 1.00 0.00 C ATOM 579 SG CYS A 60 -0.862 -7.884 -5.370 1.00 0.00 S ATOM 0 H CYS A 60 -1.533 -6.023 -1.563 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.270 -5.500 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.164 -7.772 -2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.618 -7.289 -3.833 1.00 0.00 H new ATOM 584 N SER A 61 -2.108 -4.228 -5.278 1.00 0.00 N ATOM 585 CA SER A 61 -2.992 -3.185 -5.805 1.00 0.00 C ATOM 586 C SER A 61 -4.431 -3.660 -5.990 1.00 0.00 C ATOM 587 O SER A 61 -5.352 -2.848 -6.033 1.00 0.00 O ATOM 588 CB SER A 61 -2.444 -2.683 -7.135 1.00 0.00 C ATOM 589 OG SER A 61 -1.074 -2.349 -7.012 1.00 0.00 O ATOM 0 H SER A 61 -1.343 -4.477 -5.905 1.00 0.00 H new ATOM 0 HA SER A 61 -3.016 -2.381 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.570 -3.449 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.009 -1.810 -7.462 1.00 0.00 H new ATOM 0 HG SER A 61 -0.532 -3.162 -7.081 1.00 0.00 H new ATOM 595 N GLN A 62 -4.626 -4.968 -6.084 1.00 0.00 N ATOM 596 CA GLN A 62 -5.955 -5.524 -6.302 1.00 0.00 C ATOM 597 C GLN A 62 -6.679 -5.686 -4.962 1.00 0.00 C ATOM 598 O GLN A 62 -7.064 -6.788 -4.574 1.00 0.00 O ATOM 599 CB GLN A 62 -5.844 -6.869 -7.035 1.00 0.00 C ATOM 600 CG GLN A 62 -7.167 -7.389 -7.575 1.00 0.00 C ATOM 601 CD GLN A 62 -7.832 -6.424 -8.536 1.00 0.00 C ATOM 602 OE1 GLN A 62 -7.167 -5.656 -9.234 1.00 0.00 O ATOM 603 NE2 GLN A 62 -9.152 -6.465 -8.589 1.00 0.00 N ATOM 0 H GLN A 62 -3.883 -5.663 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.536 -4.843 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.142 -6.764 -7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.425 -7.609 -6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.999 -8.340 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.841 -7.587 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.666 -7.115 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.656 -5.847 -9.224 1.00 0.00 H new ATOM 612 N SER A 63 -6.845 -4.577 -4.255 1.00 0.00 N ATOM 613 CA SER A 63 -7.477 -4.593 -2.946 1.00 0.00 C ATOM 614 C SER A 63 -8.699 -3.672 -2.898 1.00 0.00 C ATOM 615 O SER A 63 -8.769 -2.670 -3.618 1.00 0.00 O ATOM 616 CB SER A 63 -6.466 -4.179 -1.870 1.00 0.00 C ATOM 617 OG SER A 63 -5.434 -5.144 -1.741 1.00 0.00 O ATOM 0 H SER A 63 -6.549 -3.653 -4.568 1.00 0.00 H new ATOM 0 HA SER A 63 -7.818 -5.610 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.034 -3.212 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.976 -4.058 -0.914 1.00 0.00 H new ATOM 0 HG SER A 63 -4.689 -4.907 -2.332 1.00 0.00 H new ATOM 623 N TRP A 64 -9.651 -4.036 -2.040 1.00 0.00 N ATOM 624 CA TRP A 64 -10.870 -3.260 -1.794 1.00 0.00 C ATOM 625 C TRP A 64 -11.692 -3.067 -3.067 1.00 0.00 C ATOM 626 O TRP A 64 -12.480 -3.935 -3.446 1.00 0.00 O ATOM 627 CB TRP A 64 -10.541 -1.899 -1.169 1.00 0.00 C ATOM 628 CG TRP A 64 -9.615 -1.981 0.004 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.841 -2.613 1.194 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.313 -1.401 0.099 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.754 -2.463 2.020 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.803 -1.723 1.370 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.527 -0.640 -0.772 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.543 -1.311 1.789 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.277 -0.231 -0.352 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.796 -0.567 0.916 1.00 0.00 C ATOM 0 H TRP A 64 -9.598 -4.891 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.472 -3.834 -1.090 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.093 -1.259 -1.929 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.468 -1.420 -0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.742 -3.151 1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.669 -2.841 2.964 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.891 -0.377 -1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.167 -1.569 2.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.661 0.358 -1.015 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.813 -0.232 1.214 1.00 0.00 H new ATOM 647 N GLY A 65 -11.502 -1.930 -3.717 1.00 0.00 N ATOM 648 CA GLY A 65 -12.218 -1.641 -4.941 1.00 0.00 C ATOM 649 C GLY A 65 -11.304 -1.117 -6.026 1.00 0.00 C ATOM 650 O GLY A 65 -11.763 -0.501 -6.985 1.00 0.00 O ATOM 0 H GLY A 65 -10.860 -1.197 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.715 -2.546 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.998 -0.907 -4.739 1.00 0.00 H new ATOM 654 N ARG A 66 -10.011 -1.371 -5.878 1.00 0.00 N ATOM 655 CA ARG A 66 -9.025 -0.917 -6.847 1.00 0.00 C ATOM 656 C ARG A 66 -8.932 -1.899 -8.006 1.00 0.00 C ATOM 657 O ARG A 66 -9.539 -2.974 -7.980 1.00 0.00 O ATOM 658 CB ARG A 66 -7.651 -0.760 -6.180 1.00 0.00 C ATOM 659 CG ARG A 66 -7.489 0.523 -5.376 1.00 0.00 C ATOM 660 CD ARG A 66 -7.173 1.716 -6.273 1.00 0.00 C ATOM 661 NE ARG A 66 -6.952 2.941 -5.503 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.111 3.909 -5.870 1.00 0.00 C ATOM 663 NH1 ARG A 66 -5.396 3.784 -6.980 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.985 5.007 -5.137 1.00 0.00 N ATOM 0 H ARG A 66 -9.620 -1.891 -5.093 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.341 0.053 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.480 -1.612 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.880 -0.792 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.404 0.720 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.690 0.396 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.286 1.497 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.995 1.871 -6.972 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.472 3.062 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.489 2.946 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.753 4.525 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.534 5.117 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.339 5.742 -5.426 1.00 0.00 H new ATOM 677 N SER A 67 -8.187 -1.514 -9.023 1.00 0.00 N ATOM 678 CA SER A 67 -7.972 -2.354 -10.180 1.00 0.00 C ATOM 679 C SER A 67 -6.482 -2.407 -10.503 1.00 0.00 C ATOM 680 O SER A 67 -5.647 -2.096 -9.651 1.00 0.00 O ATOM 681 CB SER A 67 -8.774 -1.811 -11.362 1.00 0.00 C ATOM 682 OG SER A 67 -8.510 -0.431 -11.559 1.00 0.00 O ATOM 0 H SER A 67 -7.715 -0.611 -9.069 1.00 0.00 H new ATOM 0 HA SER A 67 -8.313 -3.368 -9.972 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.521 -2.367 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.839 -1.960 -11.184 1.00 0.00 H new ATOM 0 HG SER A 67 -9.032 -0.104 -12.321 1.00 0.00 H new ATOM 688 N SER A 68 -6.142 -2.775 -11.730 1.00 0.00 N ATOM 689 CA SER A 68 -4.750 -2.877 -12.124 1.00 0.00 C ATOM 690 C SER A 68 -4.224 -1.530 -12.636 1.00 0.00 C ATOM 691 O SER A 68 -3.169 -1.462 -13.262 1.00 0.00 O ATOM 692 CB SER A 68 -4.587 -3.970 -13.183 1.00 0.00 C ATOM 693 OG SER A 68 -3.221 -4.257 -13.420 1.00 0.00 O ATOM 0 H SER A 68 -6.810 -3.006 -12.465 1.00 0.00 H new ATOM 0 HA SER A 68 -4.158 -3.149 -11.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.100 -4.875 -12.857 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.061 -3.653 -14.112 1.00 0.00 H new ATOM 0 HG SER A 68 -2.829 -4.666 -12.620 1.00 0.00 H new ATOM 699 N LYS A 69 -4.957 -0.454 -12.351 1.00 0.00 N ATOM 700 CA LYS A 69 -4.515 0.893 -12.706 1.00 0.00 C ATOM 701 C LYS A 69 -4.861 1.870 -11.586 1.00 0.00 C ATOM 702 O LYS A 69 -5.554 1.509 -10.633 1.00 0.00 O ATOM 703 CB LYS A 69 -5.132 1.352 -14.034 1.00 0.00 C ATOM 704 CG LYS A 69 -4.727 0.489 -15.221 1.00 0.00 C ATOM 705 CD LYS A 69 -5.020 1.170 -16.547 1.00 0.00 C ATOM 706 CE LYS A 69 -4.185 2.429 -16.725 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.307 2.985 -18.099 1.00 0.00 N ATOM 0 H LYS A 69 -5.859 -0.489 -11.876 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.433 0.872 -12.836 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.218 1.344 -13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.835 2.383 -14.226 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.663 0.262 -15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.259 -0.461 -15.176 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.816 0.479 -17.365 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.079 1.424 -16.600 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.501 3.179 -16.000 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.139 2.204 -16.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.723 3.842 -18.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.982 2.278 -18.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.301 3.224 -18.290 1.00 0.00 H new ATOM 720 N GLN A 70 -4.373 3.101 -11.700 1.00 0.00 N ATOM 721 CA GLN A 70 -4.544 4.094 -10.647 1.00 0.00 C ATOM 722 C GLN A 70 -5.963 4.663 -10.632 1.00 0.00 C ATOM 723 O GLN A 70 -6.578 4.862 -11.682 1.00 0.00 O ATOM 724 CB GLN A 70 -3.544 5.243 -10.824 1.00 0.00 C ATOM 725 CG GLN A 70 -3.606 6.263 -9.698 1.00 0.00 C ATOM 726 CD GLN A 70 -2.863 7.550 -9.998 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.872 7.562 -10.726 1.00 0.00 O ATOM 728 NE2 GLN A 70 -3.350 8.645 -9.435 1.00 0.00 N ATOM 0 H GLN A 70 -3.855 3.435 -12.513 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.362 3.590 -9.698 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.535 4.834 -10.881 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.739 5.744 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.650 6.497 -9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.192 5.818 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.175 8.588 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.900 9.546 -9.599 1.00 0.00 H new ATOM 737 N TRP A 71 -6.476 4.899 -9.431 1.00 0.00 N ATOM 738 CA TRP A 71 -7.737 5.605 -9.243 1.00 0.00 C ATOM 739 C TRP A 71 -7.456 6.996 -8.679 1.00 0.00 C ATOM 740 O TRP A 71 -6.323 7.298 -8.292 1.00 0.00 O ATOM 741 CB TRP A 71 -8.657 4.820 -8.303 1.00 0.00 C ATOM 742 CG TRP A 71 -9.254 3.597 -8.932 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.584 2.525 -9.443 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.647 3.320 -9.108 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.473 1.604 -9.939 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.747 2.067 -9.743 1.00 0.00 C ATOM 747 CE3 TRP A 71 -11.820 4.011 -8.794 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.973 1.493 -10.067 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -13.035 3.439 -9.115 1.00 0.00 C ATOM 750 CH2 TRP A 71 -13.104 2.192 -9.746 1.00 0.00 C ATOM 0 H TRP A 71 -6.030 4.607 -8.561 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.242 5.702 -10.204 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.093 4.525 -7.418 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.461 5.474 -7.965 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.510 2.416 -9.456 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.225 0.719 -10.381 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.777 4.975 -8.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.029 0.531 -10.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -13.948 3.963 -8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.070 1.773 -9.985 1.00 0.00 H new ATOM 761 N GLU A 72 -8.482 7.834 -8.606 1.00 0.00 N ATOM 762 CA GLU A 72 -8.303 9.232 -8.226 1.00 0.00 C ATOM 763 C GLU A 72 -8.381 9.395 -6.706 1.00 0.00 C ATOM 764 O GLU A 72 -8.985 10.341 -6.190 1.00 0.00 O ATOM 765 CB GLU A 72 -9.356 10.107 -8.915 1.00 0.00 C ATOM 766 CG GLU A 72 -9.037 11.594 -8.880 1.00 0.00 C ATOM 767 CD GLU A 72 -10.161 12.446 -9.426 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.224 12.646 -10.655 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.990 12.929 -8.624 1.00 0.00 O ATOM 0 H GLU A 72 -9.447 7.571 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.314 9.554 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.455 9.790 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.322 9.941 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.827 11.892 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.132 11.781 -9.458 1.00 0.00 H new ATOM 776 N ASP A 73 -7.756 8.470 -5.993 1.00 0.00 N ATOM 777 CA ASP A 73 -7.713 8.523 -4.534 1.00 0.00 C ATOM 778 C ASP A 73 -6.298 8.273 -4.015 1.00 0.00 C ATOM 779 O ASP A 73 -6.055 7.290 -3.314 1.00 0.00 O ATOM 780 CB ASP A 73 -8.677 7.498 -3.922 1.00 0.00 C ATOM 781 CG ASP A 73 -10.112 7.983 -3.883 1.00 0.00 C ATOM 782 OD1 ASP A 73 -10.829 7.827 -4.893 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.529 8.528 -2.838 1.00 0.00 O ATOM 0 H ASP A 73 -7.270 7.671 -6.399 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.023 9.524 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.628 6.573 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.352 7.262 -2.909 1.00 0.00 H new ATOM 788 N PRO A 74 -5.332 9.144 -4.364 1.00 0.00 N ATOM 789 CA PRO A 74 -3.957 9.031 -3.891 1.00 0.00 C ATOM 790 C PRO A 74 -3.759 9.711 -2.542 1.00 0.00 C ATOM 791 O PRO A 74 -2.969 9.260 -1.714 1.00 0.00 O ATOM 792 CB PRO A 74 -3.141 9.754 -4.976 1.00 0.00 C ATOM 793 CG PRO A 74 -4.137 10.324 -5.943 1.00 0.00 C ATOM 794 CD PRO A 74 -5.474 10.293 -5.257 1.00 0.00 C ATOM 0 HA PRO A 74 -3.662 7.993 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.527 10.542 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.463 9.063 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.868 11.343 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.161 9.740 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.672 11.214 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.292 10.161 -5.965 1.00 0.00 H new ATOM 802 N SER A 75 -4.505 10.787 -2.325 1.00 0.00 N ATOM 803 CA SER A 75 -4.360 11.616 -1.137 1.00 0.00 C ATOM 804 C SER A 75 -4.813 10.881 0.124 1.00 0.00 C ATOM 805 O SER A 75 -4.544 11.322 1.242 1.00 0.00 O ATOM 806 CB SER A 75 -5.169 12.892 -1.325 1.00 0.00 C ATOM 807 OG SER A 75 -5.046 13.357 -2.660 1.00 0.00 O ATOM 0 H SER A 75 -5.228 11.109 -2.969 1.00 0.00 H new ATOM 0 HA SER A 75 -3.305 11.857 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.217 12.704 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.821 13.658 -0.632 1.00 0.00 H new ATOM 0 HG SER A 75 -5.571 14.177 -2.771 1.00 0.00 H new ATOM 813 N GLN A 76 -5.488 9.754 -0.070 1.00 0.00 N ATOM 814 CA GLN A 76 -5.957 8.929 1.035 1.00 0.00 C ATOM 815 C GLN A 76 -4.779 8.345 1.810 1.00 0.00 C ATOM 816 O GLN A 76 -4.908 7.960 2.970 1.00 0.00 O ATOM 817 CB GLN A 76 -6.840 7.803 0.494 1.00 0.00 C ATOM 818 CG GLN A 76 -8.010 8.298 -0.339 1.00 0.00 C ATOM 819 CD GLN A 76 -9.128 8.894 0.493 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.911 9.399 1.597 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.336 8.854 -0.041 1.00 0.00 N ATOM 0 H GLN A 76 -5.724 9.389 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.539 9.551 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.230 7.133 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.222 7.217 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.653 9.047 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.405 7.469 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.475 8.427 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.130 9.250 0.463 1.00 0.00 H new ATOM 830 N ALA A 77 -3.617 8.315 1.167 1.00 0.00 N ATOM 831 CA ALA A 77 -2.417 7.759 1.779 1.00 0.00 C ATOM 832 C ALA A 77 -1.674 8.821 2.582 1.00 0.00 C ATOM 833 O ALA A 77 -0.456 8.744 2.765 1.00 0.00 O ATOM 834 CB ALA A 77 -1.515 7.166 0.709 1.00 0.00 C ATOM 0 H ALA A 77 -3.481 8.670 0.220 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.713 6.967 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.621 6.753 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.048 6.375 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.229 7.945 0.002 1.00 0.00 H new ATOM 840 N SER A 78 -2.427 9.806 3.060 1.00 0.00 N ATOM 841 CA SER A 78 -1.882 10.920 3.827 1.00 0.00 C ATOM 842 C SER A 78 -0.993 10.433 4.976 1.00 0.00 C ATOM 843 O SER A 78 0.158 10.854 5.100 1.00 0.00 O ATOM 844 CB SER A 78 -3.031 11.775 4.377 1.00 0.00 C ATOM 845 OG SER A 78 -2.550 12.940 5.019 1.00 0.00 O ATOM 0 H SER A 78 -3.437 9.854 2.926 1.00 0.00 H new ATOM 0 HA SER A 78 -1.262 11.520 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.698 12.057 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.619 11.187 5.082 1.00 0.00 H new ATOM 0 HG SER A 78 -3.307 13.464 5.357 1.00 0.00 H new ATOM 851 N LYS A 79 -1.517 9.521 5.792 1.00 0.00 N ATOM 852 CA LYS A 79 -0.786 9.040 6.963 1.00 0.00 C ATOM 853 C LYS A 79 0.448 8.232 6.572 1.00 0.00 C ATOM 854 O LYS A 79 1.393 8.131 7.348 1.00 0.00 O ATOM 855 CB LYS A 79 -1.694 8.213 7.880 1.00 0.00 C ATOM 856 CG LYS A 79 -2.423 9.032 8.939 1.00 0.00 C ATOM 857 CD LYS A 79 -3.214 10.182 8.334 1.00 0.00 C ATOM 858 CE LYS A 79 -3.891 11.024 9.406 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.923 11.516 10.425 1.00 0.00 N ATOM 0 H LYS A 79 -2.439 9.102 5.666 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.448 9.921 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.431 7.691 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.094 7.450 8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.098 8.383 9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.699 9.427 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.548 10.811 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.967 9.787 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.388 11.874 8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.664 10.433 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.215 12.458 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.902 10.858 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.975 11.576 10.002 1.00 0.00 H new ATOM 872 N VAL A 80 0.453 7.675 5.367 1.00 0.00 N ATOM 873 CA VAL A 80 1.606 6.914 4.903 1.00 0.00 C ATOM 874 C VAL A 80 2.765 7.859 4.609 1.00 0.00 C ATOM 875 O VAL A 80 3.867 7.686 5.133 1.00 0.00 O ATOM 876 CB VAL A 80 1.294 6.078 3.643 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.522 5.291 3.210 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.115 5.144 3.889 1.00 0.00 C ATOM 0 H VAL A 80 -0.317 7.734 4.701 1.00 0.00 H new ATOM 0 HA VAL A 80 1.875 6.221 5.700 1.00 0.00 H new ATOM 0 HB VAL A 80 1.021 6.761 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.285 4.707 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.336 5.981 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.826 4.621 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.085 4.566 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.353 4.466 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.766 5.731 4.147 1.00 0.00 H new ATOM 888 N CYS A 81 2.504 8.875 3.793 1.00 0.00 N ATOM 889 CA CYS A 81 3.513 9.883 3.490 1.00 0.00 C ATOM 890 C CYS A 81 3.917 10.616 4.768 1.00 0.00 C ATOM 891 O CYS A 81 5.082 10.968 4.955 1.00 0.00 O ATOM 892 CB CYS A 81 2.985 10.883 2.454 1.00 0.00 C ATOM 893 SG CYS A 81 2.399 10.126 0.899 1.00 0.00 S ATOM 0 H CYS A 81 1.606 9.022 3.332 1.00 0.00 H new ATOM 0 HA CYS A 81 4.387 9.384 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.166 11.449 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.776 11.596 2.221 1.00 0.00 H new ATOM 898 N GLN A 82 2.945 10.815 5.655 1.00 0.00 N ATOM 899 CA GLN A 82 3.173 11.488 6.930 1.00 0.00 C ATOM 900 C GLN A 82 4.082 10.656 7.836 1.00 0.00 C ATOM 901 O GLN A 82 4.967 11.193 8.500 1.00 0.00 O ATOM 902 CB GLN A 82 1.833 11.757 7.621 1.00 0.00 C ATOM 903 CG GLN A 82 1.944 12.493 8.947 1.00 0.00 C ATOM 904 CD GLN A 82 0.585 12.824 9.531 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.002 12.035 10.275 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.067 13.993 9.192 1.00 0.00 N ATOM 0 H GLN A 82 1.981 10.515 5.511 1.00 0.00 H new ATOM 0 HA GLN A 82 3.673 12.437 6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.202 12.339 6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.328 10.806 7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.503 11.881 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.511 13.413 8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.582 14.619 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.848 14.269 9.550 1.00 0.00 H new ATOM 915 N ARG A 83 3.867 9.343 7.857 1.00 0.00 N ATOM 916 CA ARG A 83 4.720 8.438 8.632 1.00 0.00 C ATOM 917 C ARG A 83 6.151 8.464 8.117 1.00 0.00 C ATOM 918 O ARG A 83 7.101 8.244 8.869 1.00 0.00 O ATOM 919 CB ARG A 83 4.187 7.001 8.586 1.00 0.00 C ATOM 920 CG ARG A 83 3.154 6.680 9.657 1.00 0.00 C ATOM 921 CD ARG A 83 3.775 6.676 11.047 1.00 0.00 C ATOM 922 NE ARG A 83 2.865 6.146 12.059 1.00 0.00 N ATOM 923 CZ ARG A 83 3.086 6.243 13.366 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.170 6.857 13.812 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.220 5.737 14.229 1.00 0.00 N ATOM 0 H ARG A 83 3.113 8.881 7.349 1.00 0.00 H new ATOM 0 HA ARG A 83 4.707 8.786 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.745 6.821 7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.025 6.312 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.349 7.414 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.708 5.706 9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.687 6.079 11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.063 7.692 11.317 1.00 0.00 H new ATOM 0 HE ARG A 83 2.015 5.677 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.837 7.257 13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.338 6.931 14.815 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.378 5.270 13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.394 5.814 15.231 1.00 0.00 H new ATOM 938 N LEU A 84 6.298 8.734 6.833 1.00 0.00 N ATOM 939 CA LEU A 84 7.609 8.799 6.214 1.00 0.00 C ATOM 940 C LEU A 84 8.142 10.230 6.228 1.00 0.00 C ATOM 941 O LEU A 84 9.222 10.508 5.701 1.00 0.00 O ATOM 942 CB LEU A 84 7.526 8.283 4.782 1.00 0.00 C ATOM 943 CG LEU A 84 7.016 6.847 4.645 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.796 6.497 3.188 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.988 5.870 5.282 1.00 0.00 C ATOM 0 H LEU A 84 5.522 8.913 6.196 1.00 0.00 H new ATOM 0 HA LEU A 84 8.297 8.173 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.872 8.942 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.516 8.347 4.330 1.00 0.00 H new ATOM 0 HG LEU A 84 6.062 6.773 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.433 5.472 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.060 7.176 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.737 6.591 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.607 4.855 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.957 5.948 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.099 6.105 6.341 1.00 0.00 H new ATOM 957 N ASN A 85 7.362 11.126 6.836 1.00 0.00 N ATOM 958 CA ASN A 85 7.711 12.542 6.952 1.00 0.00 C ATOM 959 C ASN A 85 7.939 13.184 5.589 1.00 0.00 C ATOM 960 O ASN A 85 8.811 14.038 5.426 1.00 0.00 O ATOM 961 CB ASN A 85 8.933 12.739 7.855 1.00 0.00 C ATOM 962 CG ASN A 85 8.584 12.612 9.326 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.199 13.590 9.972 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.731 11.417 9.874 1.00 0.00 N ATOM 0 H ASN A 85 6.467 10.888 7.263 1.00 0.00 H new ATOM 0 HA ASN A 85 6.860 13.044 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.695 12.002 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.365 13.722 7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.524 11.281 10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.052 10.632 9.307 1.00 0.00 H new ATOM 971 N CYS A 86 7.131 12.785 4.620 1.00 0.00 N ATOM 972 CA CYS A 86 7.183 13.365 3.292 1.00 0.00 C ATOM 973 C CYS A 86 5.949 14.224 3.046 1.00 0.00 C ATOM 974 O CYS A 86 5.060 14.296 3.899 1.00 0.00 O ATOM 975 CB CYS A 86 7.317 12.270 2.221 1.00 0.00 C ATOM 976 SG CYS A 86 9.016 11.617 2.035 1.00 0.00 S ATOM 0 H CYS A 86 6.427 12.056 4.732 1.00 0.00 H new ATOM 0 HA CYS A 86 8.065 14.002 3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.648 11.447 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.985 12.670 1.263 1.00 0.00 H new ATOM 981 N GLY A 87 5.900 14.874 1.896 1.00 0.00 N ATOM 982 CA GLY A 87 4.808 15.771 1.592 1.00 0.00 C ATOM 983 C GLY A 87 3.599 15.063 1.014 1.00 0.00 C ATOM 984 O GLY A 87 3.142 14.050 1.546 1.00 0.00 O ATOM 0 H GLY A 87 6.604 14.795 1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.514 16.296 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.152 16.526 0.885 1.00 0.00 H new ATOM 988 N ASP A 88 3.093 15.595 -0.090 1.00 0.00 N ATOM 989 CA ASP A 88 1.859 15.102 -0.693 1.00 0.00 C ATOM 990 C ASP A 88 2.073 13.776 -1.408 1.00 0.00 C ATOM 991 O ASP A 88 3.168 13.492 -1.906 1.00 0.00 O ATOM 992 CB ASP A 88 1.301 16.119 -1.692 1.00 0.00 C ATOM 993 CG ASP A 88 0.997 17.461 -1.066 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.016 17.571 -0.346 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.772 18.418 -1.290 1.00 0.00 O ATOM 0 H ASP A 88 3.521 16.374 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 88 1.147 14.952 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.019 16.256 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.391 15.719 -2.139 1.00 0.00 H new ATOM 1000 N PRO A 89 1.021 12.944 -1.462 1.00 0.00 N ATOM 1001 CA PRO A 89 1.020 11.713 -2.228 1.00 0.00 C ATOM 1002 C PRO A 89 0.647 11.976 -3.685 1.00 0.00 C ATOM 1003 O PRO A 89 -0.518 12.216 -4.015 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.040 10.846 -1.542 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.819 11.751 -0.635 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.258 13.145 -0.775 1.00 0.00 C ATOM 0 HA PRO A 89 2.000 11.236 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.695 10.380 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.427 10.040 -0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.876 11.737 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.744 11.412 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.924 13.787 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.119 13.619 0.197 1.00 0.00 H new ATOM 1014 N LEU A 90 1.651 11.929 -4.546 1.00 0.00 N ATOM 1015 CA LEU A 90 1.486 12.267 -5.953 1.00 0.00 C ATOM 1016 C LEU A 90 0.695 11.198 -6.692 1.00 0.00 C ATOM 1017 O LEU A 90 -0.249 11.501 -7.419 1.00 0.00 O ATOM 1018 CB LEU A 90 2.854 12.434 -6.614 1.00 0.00 C ATOM 1019 CG LEU A 90 3.719 13.571 -6.067 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.107 13.522 -6.688 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.063 14.919 -6.333 1.00 0.00 C ATOM 0 H LEU A 90 2.601 11.657 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 90 0.932 13.204 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.405 11.499 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.704 12.597 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 90 3.815 13.445 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.712 14.336 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.579 12.569 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.025 13.626 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.693 15.715 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.937 15.057 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.088 14.952 -5.846 1.00 0.00 H new ATOM 1033 N SER A 91 1.090 9.950 -6.514 1.00 0.00 N ATOM 1034 CA SER A 91 0.466 8.848 -7.226 1.00 0.00 C ATOM 1035 C SER A 91 0.438 7.598 -6.354 1.00 0.00 C ATOM 1036 O SER A 91 1.333 7.388 -5.532 1.00 0.00 O ATOM 1037 CB SER A 91 1.230 8.566 -8.525 1.00 0.00 C ATOM 1038 OG SER A 91 1.379 9.747 -9.299 1.00 0.00 O ATOM 0 H SER A 91 1.841 9.674 -5.882 1.00 0.00 H new ATOM 0 HA SER A 91 -0.560 9.125 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.212 8.155 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.699 7.812 -9.106 1.00 0.00 H new ATOM 0 HG SER A 91 1.871 9.540 -10.121 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.593 6.780 -6.536 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.738 5.539 -5.789 1.00 0.00 C ATOM 1046 C LEU A 92 -1.471 4.513 -6.641 1.00 0.00 C ATOM 1047 O LEU A 92 -2.628 4.715 -7.018 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.492 5.779 -4.473 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.615 4.559 -3.547 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.671 5.001 -2.095 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.855 3.736 -3.877 1.00 0.00 C ATOM 0 H LEU A 92 -1.346 6.958 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 92 0.254 5.159 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.989 6.578 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.494 6.136 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.734 3.936 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.758 4.126 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.761 5.546 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.535 5.649 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.913 2.880 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.745 4.354 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.795 3.384 -4.907 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.793 3.424 -6.950 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.389 2.381 -7.758 1.00 0.00 C ATOM 1065 C GLY A 93 -0.382 1.310 -8.113 1.00 0.00 C ATOM 1066 O GLY A 93 0.692 1.261 -7.515 1.00 0.00 O ATOM 0 H GLY A 93 0.166 3.240 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.223 1.933 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.797 2.815 -8.671 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.696 0.433 -9.075 1.00 0.00 N ATOM 1071 CA PRO A 94 0.223 -0.621 -9.523 1.00 0.00 C ATOM 1072 C PRO A 94 1.475 -0.043 -10.175 1.00 0.00 C ATOM 1073 O PRO A 94 1.479 0.280 -11.365 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.602 -1.410 -10.551 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.014 -1.039 -10.272 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.971 0.384 -9.802 1.00 0.00 C ATOM 0 HA PRO A 94 0.581 -1.232 -8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.318 -1.148 -11.570 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.446 -2.483 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.629 -1.138 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.448 -1.690 -9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.993 1.088 -10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.816 0.626 -9.158 1.00 0.00 H new ATOM 1084 N PHE A 95 2.535 0.087 -9.393 1.00 0.00 N ATOM 1085 CA PHE A 95 3.764 0.697 -9.879 1.00 0.00 C ATOM 1086 C PHE A 95 4.765 -0.372 -10.300 1.00 0.00 C ATOM 1087 O PHE A 95 5.537 -0.181 -11.240 1.00 0.00 O ATOM 1088 CB PHE A 95 4.369 1.604 -8.802 1.00 0.00 C ATOM 1089 CG PHE A 95 5.524 2.439 -9.289 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.301 3.564 -10.068 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.831 2.098 -8.970 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.358 4.333 -10.520 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.890 2.863 -9.419 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.654 3.981 -10.194 1.00 0.00 C ATOM 0 H PHE A 95 2.570 -0.221 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 95 3.526 1.304 -10.752 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.592 2.265 -8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.705 0.988 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.290 3.843 -10.325 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.022 1.225 -8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.171 5.207 -11.127 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.902 2.587 -9.164 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.481 4.580 -10.545 1.00 0.00 H new ATOM 1104 N LEU A 96 4.740 -1.502 -9.610 1.00 0.00 N ATOM 1105 CA LEU A 96 5.661 -2.592 -9.903 1.00 0.00 C ATOM 1106 C LEU A 96 4.894 -3.869 -10.209 1.00 0.00 C ATOM 1107 O LEU A 96 3.747 -4.038 -9.787 1.00 0.00 O ATOM 1108 CB LEU A 96 6.629 -2.815 -8.737 1.00 0.00 C ATOM 1109 CG LEU A 96 7.606 -1.663 -8.475 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.519 -1.987 -7.305 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.429 -1.366 -9.719 1.00 0.00 C ATOM 0 H LEU A 96 4.093 -1.689 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 96 6.244 -2.318 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.048 -2.992 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.203 -3.721 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 96 7.024 -0.776 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.204 -1.156 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.919 -2.150 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.090 -2.888 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.116 -0.546 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.997 -2.253 -10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.765 -1.086 -10.537 1.00 0.00 H new ATOM 1123 N LYS A 97 5.525 -4.770 -10.944 1.00 0.00 N ATOM 1124 CA LYS A 97 4.881 -6.007 -11.348 1.00 0.00 C ATOM 1125 C LYS A 97 5.660 -7.206 -10.825 1.00 0.00 C ATOM 1126 O LYS A 97 6.036 -8.098 -11.583 1.00 0.00 O ATOM 1127 CB LYS A 97 4.750 -6.072 -12.876 1.00 0.00 C ATOM 1128 CG LYS A 97 3.928 -4.931 -13.467 1.00 0.00 C ATOM 1129 CD LYS A 97 3.737 -5.071 -14.973 1.00 0.00 C ATOM 1130 CE LYS A 97 5.062 -5.047 -15.715 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.878 -4.967 -17.189 1.00 0.00 N ATOM 0 H LYS A 97 6.485 -4.667 -11.273 1.00 0.00 H new ATOM 0 HA LYS A 97 3.880 -6.032 -10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.746 -6.058 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.291 -7.021 -13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.953 -4.900 -12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.421 -3.983 -13.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.217 -6.005 -15.188 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.103 -4.262 -15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.651 -4.194 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.631 -5.944 -15.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.808 -4.953 -17.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.339 -5.794 -17.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.358 -4.098 -17.427 1.00 0.00 H new ATOM 1144 N THR A 98 5.914 -7.209 -9.526 1.00 0.00 N ATOM 1145 CA THR A 98 6.615 -8.312 -8.890 1.00 0.00 C ATOM 1146 C THR A 98 5.618 -9.344 -8.361 1.00 0.00 C ATOM 1147 O THR A 98 5.831 -10.548 -8.503 1.00 0.00 O ATOM 1148 CB THR A 98 7.501 -7.803 -7.738 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.241 -6.656 -8.177 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.469 -8.882 -7.269 1.00 0.00 C ATOM 0 H THR A 98 5.644 -6.458 -8.891 1.00 0.00 H new ATOM 0 HA THR A 98 7.252 -8.784 -9.638 1.00 0.00 H new ATOM 0 HB THR A 98 6.855 -7.535 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.804 -6.330 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.081 -8.493 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.907 -9.748 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.113 -9.178 -8.097 1.00 0.00 H new ATOM 1158 N TYR A 99 4.525 -8.836 -7.775 1.00 0.00 N ATOM 1159 CA TYR A 99 3.419 -9.651 -7.242 1.00 0.00 C ATOM 1160 C TYR A 99 3.888 -10.946 -6.571 1.00 0.00 C ATOM 1161 O TYR A 99 3.709 -12.040 -7.098 1.00 0.00 O ATOM 1162 CB TYR A 99 2.343 -9.935 -8.315 1.00 0.00 C ATOM 1163 CG TYR A 99 2.836 -10.553 -9.616 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.296 -9.756 -10.657 1.00 0.00 C ATOM 1165 CD2 TYR A 99 2.827 -11.931 -9.806 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.737 -10.312 -11.841 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.268 -12.493 -10.987 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.721 -11.680 -12.001 1.00 0.00 C ATOM 1169 OH TYR A 99 4.163 -12.237 -13.177 1.00 0.00 O ATOM 0 H TYR A 99 4.380 -7.833 -7.655 1.00 0.00 H new ATOM 0 HA TYR A 99 2.962 -9.047 -6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.595 -10.599 -7.882 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.839 -8.998 -8.551 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.309 -8.683 -10.538 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.468 -12.573 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.093 -9.677 -12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.258 -13.565 -11.115 1.00 0.00 H new ATOM 0 HH TYR A 99 4.086 -13.213 -13.126 1.00 0.00 H new ATOM 1179 N THR A 100 4.480 -10.812 -5.399 1.00 0.00 N ATOM 1180 CA THR A 100 4.863 -11.965 -4.603 1.00 0.00 C ATOM 1181 C THR A 100 3.690 -12.408 -3.735 1.00 0.00 C ATOM 1182 O THR A 100 3.426 -11.803 -2.702 1.00 0.00 O ATOM 1183 CB THR A 100 6.074 -11.635 -3.711 1.00 0.00 C ATOM 1184 OG1 THR A 100 5.902 -10.337 -3.119 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.367 -11.668 -4.513 1.00 0.00 C ATOM 0 H THR A 100 4.707 -9.913 -4.975 1.00 0.00 H new ATOM 0 HA THR A 100 5.141 -12.773 -5.279 1.00 0.00 H new ATOM 0 HB THR A 100 6.138 -12.389 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.651 -10.151 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.207 -11.431 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.506 -12.662 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.315 -10.934 -5.317 1.00 0.00 H new ATOM 1193 N PRO A 101 2.974 -13.473 -4.135 1.00 0.00 N ATOM 1194 CA PRO A 101 1.717 -13.876 -3.489 1.00 0.00 C ATOM 1195 C PRO A 101 1.867 -14.157 -1.998 1.00 0.00 C ATOM 1196 O PRO A 101 0.920 -13.987 -1.231 1.00 0.00 O ATOM 1197 CB PRO A 101 1.308 -15.154 -4.234 1.00 0.00 C ATOM 1198 CG PRO A 101 2.545 -15.618 -4.926 1.00 0.00 C ATOM 1199 CD PRO A 101 3.335 -14.382 -5.235 1.00 0.00 C ATOM 0 HA PRO A 101 0.978 -13.077 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.936 -15.911 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.509 -14.955 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.115 -16.297 -4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.301 -16.163 -5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.406 -14.583 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.069 -13.965 -6.206 1.00 0.00 H new ATOM 1207 N GLN A 102 3.061 -14.574 -1.595 1.00 0.00 N ATOM 1208 CA GLN A 102 3.323 -14.925 -0.205 1.00 0.00 C ATOM 1209 C GLN A 102 3.415 -13.666 0.658 1.00 0.00 C ATOM 1210 O GLN A 102 2.838 -13.602 1.746 1.00 0.00 O ATOM 1211 CB GLN A 102 4.619 -15.751 -0.114 1.00 0.00 C ATOM 1212 CG GLN A 102 4.866 -16.415 1.237 1.00 0.00 C ATOM 1213 CD GLN A 102 5.398 -15.465 2.294 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.100 -14.496 1.989 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.073 -15.741 3.547 1.00 0.00 N ATOM 0 H GLN A 102 3.865 -14.678 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 102 2.497 -15.528 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.595 -16.523 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.463 -15.101 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.934 -16.855 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.575 -17.233 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.491 -16.552 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.405 -15.143 4.304 1.00 0.00 H new ATOM 1224 N SER A 103 4.126 -12.664 0.165 1.00 0.00 N ATOM 1225 CA SER A 103 4.361 -11.452 0.935 1.00 0.00 C ATOM 1226 C SER A 103 3.289 -10.402 0.657 1.00 0.00 C ATOM 1227 O SER A 103 2.857 -9.690 1.567 1.00 0.00 O ATOM 1228 CB SER A 103 5.745 -10.894 0.614 1.00 0.00 C ATOM 1229 OG SER A 103 6.744 -11.881 0.812 1.00 0.00 O ATOM 0 H SER A 103 4.550 -12.666 -0.763 1.00 0.00 H new ATOM 0 HA SER A 103 4.312 -11.705 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.771 -10.546 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.950 -10.031 1.247 1.00 0.00 H new ATOM 0 HG SER A 103 6.350 -12.660 1.257 1.00 0.00 H new ATOM 1235 N SER A 104 2.853 -10.328 -0.592 1.00 0.00 N ATOM 1236 CA SER A 104 1.862 -9.348 -1.002 1.00 0.00 C ATOM 1237 C SER A 104 0.460 -9.844 -0.660 1.00 0.00 C ATOM 1238 O SER A 104 0.078 -10.959 -1.019 1.00 0.00 O ATOM 1239 CB SER A 104 1.978 -9.072 -2.505 1.00 0.00 C ATOM 1240 OG SER A 104 3.305 -8.715 -2.861 1.00 0.00 O ATOM 0 H SER A 104 3.173 -10.940 -1.342 1.00 0.00 H new ATOM 0 HA SER A 104 2.045 -8.418 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.674 -9.957 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.296 -8.269 -2.784 1.00 0.00 H new ATOM 0 HG SER A 104 3.873 -9.513 -2.849 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.296 -9.018 0.039 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.627 -9.395 0.480 1.00 0.00 C ATOM 1248 C ILE A 105 -2.698 -8.616 -0.273 1.00 0.00 C ATOM 1249 O ILE A 105 -2.470 -7.490 -0.726 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.811 -9.177 1.999 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.489 -7.724 2.374 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.946 -10.158 2.785 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.652 -7.412 3.846 1.00 0.00 C ATOM 0 H ILE A 105 -0.010 -8.078 0.315 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.737 -10.458 0.265 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.853 -9.366 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.463 -7.503 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.136 -7.061 1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.086 -9.992 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.235 -11.179 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.102 -10.005 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.405 -6.366 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.683 -7.598 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.985 -8.047 4.429 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.859 -9.233 -0.405 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.010 -8.604 -1.030 1.00 0.00 C ATOM 1267 C ILE A 106 -6.063 -8.340 0.034 1.00 0.00 C ATOM 1268 O ILE A 106 -6.506 -9.260 0.724 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.594 -9.484 -2.166 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.720 -9.372 -3.418 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.035 -9.095 -2.480 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.171 -10.261 -4.558 1.00 0.00 C ATOM 0 H ILE A 106 -4.031 -10.185 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.695 -7.664 -1.482 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.597 -10.521 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.717 -8.336 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.692 -9.625 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.417 -9.729 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.649 -9.225 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.070 -8.052 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.504 -10.127 -5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.147 -11.303 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.187 -9.994 -4.848 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.443 -7.088 0.194 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.357 -6.725 1.263 1.00 0.00 C ATOM 1286 C CYS A 107 -8.753 -6.459 0.715 1.00 0.00 C ATOM 1287 O CYS A 107 -8.921 -6.160 -0.467 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.832 -5.506 2.019 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.186 -5.558 3.803 1.00 0.00 S ATOM 0 H CYS A 107 -6.139 -6.312 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.422 -7.562 1.958 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.755 -5.432 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.275 -4.605 1.594 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.753 -6.580 1.576 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.141 -6.420 1.166 1.00 0.00 C ATOM 1296 C TYR A 108 -11.866 -5.454 2.094 1.00 0.00 C ATOM 1297 O TYR A 108 -11.399 -5.180 3.204 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.855 -7.775 1.169 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.248 -8.793 0.228 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.510 -8.750 -1.136 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.417 -9.802 0.704 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.962 -9.680 -1.996 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.864 -10.733 -0.151 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.140 -10.668 -1.500 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.594 -11.598 -2.355 1.00 0.00 O ATOM 0 H TYR A 108 -9.628 -6.789 2.567 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.154 -6.012 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.842 -8.179 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.900 -7.624 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.153 -7.976 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.201 -9.858 1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.177 -9.633 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.219 -11.508 0.234 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.038 -12.224 -1.846 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.996 -4.934 1.639 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.805 -4.075 2.480 1.00 0.00 C ATOM 1317 C GLY A 109 -13.803 -2.631 2.025 1.00 0.00 C ATOM 1318 O GLY A 109 -13.988 -2.339 0.839 1.00 0.00 O ATOM 0 H GLY A 109 -13.368 -5.091 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.830 -4.446 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.437 -4.128 3.505 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.587 -1.729 2.974 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.631 -0.297 2.705 1.00 0.00 C ATOM 1324 C GLN A 110 -12.266 0.201 2.240 1.00 0.00 C ATOM 1325 O GLN A 110 -11.234 -0.344 2.626 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.059 0.462 3.964 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.402 0.020 4.525 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.765 0.747 5.803 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.406 1.797 5.775 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.356 0.197 6.934 1.00 0.00 N ATOM 0 H GLN A 110 -13.378 -1.966 3.944 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.359 -0.116 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.296 0.332 4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.104 1.527 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.178 0.193 3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.377 -1.053 4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.827 -0.675 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.570 0.644 7.825 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.276 1.242 1.413 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.055 1.796 0.838 1.00 0.00 C ATOM 1341 C LEU A 111 -10.120 2.318 1.923 1.00 0.00 C ATOM 1342 O LEU A 111 -10.343 3.388 2.493 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.400 2.924 -0.141 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.204 3.648 -0.773 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.405 2.708 -1.666 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.673 4.864 -1.558 1.00 0.00 C ATOM 0 H LEU A 111 -13.127 1.724 1.123 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.542 0.997 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.014 2.510 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.011 3.660 0.382 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.549 3.985 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.563 3.247 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.033 1.872 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.046 2.331 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.812 5.366 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.353 4.547 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.190 5.552 -0.889 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.074 1.553 2.200 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.106 1.947 3.198 1.00 0.00 C ATOM 1360 C GLY A 112 -8.181 1.091 4.445 1.00 0.00 C ATOM 1361 O GLY A 112 -7.402 1.277 5.378 1.00 0.00 O ATOM 0 H GLY A 112 -8.879 0.660 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.104 1.880 2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.269 2.991 3.467 1.00 0.00 H new ATOM 1365 N SER A 113 -9.116 0.148 4.462 1.00 0.00 N ATOM 1366 CA SER A 113 -9.278 -0.738 5.600 1.00 0.00 C ATOM 1367 C SER A 113 -8.315 -1.918 5.497 1.00 0.00 C ATOM 1368 O SER A 113 -8.556 -2.873 4.760 1.00 0.00 O ATOM 1369 CB SER A 113 -10.727 -1.232 5.689 1.00 0.00 C ATOM 1370 OG SER A 113 -10.961 -1.959 6.887 1.00 0.00 O ATOM 0 H SER A 113 -9.772 -0.020 3.699 1.00 0.00 H new ATOM 0 HA SER A 113 -9.046 -0.183 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.406 -0.380 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.949 -1.865 4.830 1.00 0.00 H new ATOM 0 HG SER A 113 -10.137 -1.992 7.416 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.216 -1.831 6.232 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.229 -2.901 6.299 1.00 0.00 C ATOM 1378 C PHE A 114 -6.546 -3.816 7.475 1.00 0.00 C ATOM 1379 O PHE A 114 -5.658 -4.437 8.057 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.820 -2.329 6.472 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.337 -1.496 5.316 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.699 -2.088 4.236 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.509 -0.119 5.314 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.245 -1.325 3.179 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -4.056 0.648 4.260 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.423 0.046 3.191 1.00 0.00 C ATOM 0 H PHE A 114 -6.982 -1.016 6.800 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.268 -3.465 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.797 -1.720 7.376 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.123 -3.153 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.556 -3.158 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -5.003 0.358 6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.751 -1.799 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -4.197 1.719 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.067 0.645 2.366 1.00 0.00 H new ATOM 1396 N SER A 115 -7.821 -3.875 7.823 1.00 0.00 N ATOM 1397 CA SER A 115 -8.275 -4.606 8.994 1.00 0.00 C ATOM 1398 C SER A 115 -8.056 -6.105 8.828 1.00 0.00 C ATOM 1399 O SER A 115 -7.407 -6.748 9.654 1.00 0.00 O ATOM 1400 CB SER A 115 -9.754 -4.311 9.225 1.00 0.00 C ATOM 1401 OG SER A 115 -9.991 -2.913 9.190 1.00 0.00 O ATOM 0 H SER A 115 -8.569 -3.418 7.302 1.00 0.00 H new ATOM 0 HA SER A 115 -7.694 -4.281 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.354 -4.807 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.066 -4.715 10.188 1.00 0.00 H new ATOM 0 HG SER A 115 -9.399 -2.465 9.829 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.591 -6.654 7.751 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.471 -8.075 7.482 1.00 0.00 C ATOM 1409 C ASN A 116 -8.166 -8.291 6.007 1.00 0.00 C ATOM 1410 O ASN A 116 -9.036 -8.116 5.148 1.00 0.00 O ATOM 1411 CB ASN A 116 -9.760 -8.805 7.877 1.00 0.00 C ATOM 1412 CG ASN A 116 -9.598 -10.317 7.914 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -8.821 -10.898 7.158 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.328 -10.965 8.805 1.00 0.00 N ATOM 0 H ASN A 116 -9.115 -6.134 7.047 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.654 -8.483 8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.083 -8.455 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.549 -8.547 7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.257 -11.980 8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.962 -10.450 9.416 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.927 -8.639 5.720 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.494 -8.859 4.352 1.00 0.00 C ATOM 1423 C CYS A 117 -6.125 -10.329 4.166 1.00 0.00 C ATOM 1424 O CYS A 117 -5.799 -11.016 5.134 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.294 -7.962 4.030 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.455 -6.238 4.622 1.00 0.00 S ATOM 0 H CYS A 117 -6.198 -8.776 6.420 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.306 -8.607 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.399 -8.402 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.145 -7.950 2.950 1.00 0.00 H new ATOM 1431 N SER A 118 -6.182 -10.813 2.936 1.00 0.00 N ATOM 1432 CA SER A 118 -5.942 -12.222 2.666 1.00 0.00 C ATOM 1433 C SER A 118 -4.726 -12.417 1.761 1.00 0.00 C ATOM 1434 O SER A 118 -4.206 -11.461 1.179 1.00 0.00 O ATOM 1435 CB SER A 118 -7.182 -12.846 2.016 1.00 0.00 C ATOM 1436 OG SER A 118 -8.334 -12.671 2.831 1.00 0.00 O ATOM 0 H SER A 118 -6.392 -10.253 2.110 1.00 0.00 H new ATOM 0 HA SER A 118 -5.738 -12.718 3.615 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.352 -12.391 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.011 -13.909 1.847 1.00 0.00 H new ATOM 0 HG SER A 118 -9.110 -13.077 2.392 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.275 -13.662 1.670 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.184 -14.044 0.780 1.00 0.00 C ATOM 1444 C HIS A 119 -3.563 -13.712 -0.660 1.00 0.00 C ATOM 1445 O HIS A 119 -4.722 -13.870 -1.045 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.928 -15.550 0.925 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.650 -16.040 0.310 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.572 -16.581 -0.958 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.399 -16.112 0.823 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.332 -16.967 -1.194 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.400 -16.693 -0.129 1.00 0.00 N ATOM 0 H HIS A 119 -4.656 -14.437 2.212 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.279 -13.496 1.041 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.923 -15.802 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.761 -16.090 0.474 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.351 -16.669 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -0.088 -15.775 1.801 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.024 -17.428 -2.103 1.00 0.00 H new ATOM 1459 N SER A 120 -2.602 -13.236 -1.442 1.00 0.00 N ATOM 1460 CA SER A 120 -2.852 -12.917 -2.840 1.00 0.00 C ATOM 1461 C SER A 120 -3.242 -14.183 -3.598 1.00 0.00 C ATOM 1462 O SER A 120 -2.414 -15.071 -3.816 1.00 0.00 O ATOM 1463 CB SER A 120 -1.613 -12.269 -3.469 1.00 0.00 C ATOM 1464 OG SER A 120 -1.866 -11.846 -4.797 1.00 0.00 O ATOM 0 H SER A 120 -1.646 -13.063 -1.132 1.00 0.00 H new ATOM 0 HA SER A 120 -3.675 -12.205 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.302 -11.415 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.787 -12.980 -3.464 1.00 0.00 H new ATOM 0 HG SER A 120 -1.058 -11.436 -5.169 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.516 -14.271 -3.968 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.054 -15.474 -4.585 1.00 0.00 C ATOM 1472 C ARG A 121 -5.758 -15.168 -5.901 1.00 0.00 C ATOM 1473 O ARG A 121 -6.892 -15.594 -6.116 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.041 -16.158 -3.637 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.409 -16.721 -2.375 1.00 0.00 C ATOM 1476 CD ARG A 121 -6.467 -17.274 -1.437 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.889 -17.922 -0.261 1.00 0.00 N ATOM 1478 CZ ARG A 121 -6.346 -17.748 0.975 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -7.283 -16.838 1.224 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.851 -18.457 1.975 1.00 0.00 N ATOM 0 H ARG A 121 -5.195 -13.519 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.213 -16.136 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.812 -15.441 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.539 -16.967 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.703 -17.509 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.841 -15.940 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -7.123 -16.464 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -7.086 -17.991 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.091 -18.542 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.655 -16.268 0.464 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.629 -16.710 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.115 -19.141 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.205 -18.320 2.922 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.102 -14.430 -6.778 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.664 -14.172 -8.096 1.00 0.00 C ATOM 1495 C ASN A 122 -4.635 -14.470 -9.178 1.00 0.00 C ATOM 1496 O ASN A 122 -3.518 -14.891 -8.873 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.190 -12.735 -8.221 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.098 -11.682 -8.281 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.037 -11.822 -7.678 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.359 -10.615 -9.021 1.00 0.00 N ATOM 0 H ASN A 122 -4.192 -14.003 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.516 -14.839 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.803 -12.660 -9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.840 -12.522 -7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.666 -9.871 -9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.253 -10.537 -9.506 1.00 0.00 H new ATOM 1507 N ASP A 123 -5.002 -14.260 -10.432 1.00 0.00 N ATOM 1508 CA ASP A 123 -4.118 -14.601 -11.539 1.00 0.00 C ATOM 1509 C ASP A 123 -3.056 -13.531 -11.748 1.00 0.00 C ATOM 1510 O ASP A 123 -1.857 -13.825 -11.783 1.00 0.00 O ATOM 1511 CB ASP A 123 -4.917 -14.796 -12.828 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.045 -15.273 -13.973 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -3.765 -16.488 -14.042 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -3.641 -14.442 -14.812 1.00 0.00 O ATOM 0 H ASP A 123 -5.898 -13.859 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 123 -3.620 -15.536 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.714 -15.519 -12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.394 -13.856 -13.104 1.00 0.00 H new ATOM 1519 N MET A 124 -3.497 -12.290 -11.874 1.00 0.00 N ATOM 1520 CA MET A 124 -2.586 -11.182 -12.120 1.00 0.00 C ATOM 1521 C MET A 124 -2.772 -10.077 -11.084 1.00 0.00 C ATOM 1522 O MET A 124 -3.721 -9.295 -11.144 1.00 0.00 O ATOM 1523 CB MET A 124 -2.768 -10.624 -13.543 1.00 0.00 C ATOM 1524 CG MET A 124 -4.198 -10.234 -13.890 1.00 0.00 C ATOM 1525 SD MET A 124 -4.319 -9.322 -15.443 1.00 0.00 S ATOM 1526 CE MET A 124 -3.630 -10.509 -16.593 1.00 0.00 C ATOM 0 H MET A 124 -4.480 -12.024 -11.810 1.00 0.00 H new ATOM 0 HA MET A 124 -1.569 -11.564 -12.030 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.128 -9.750 -13.662 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.424 -11.371 -14.259 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.809 -11.134 -13.954 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.609 -9.626 -13.084 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.844 -10.193 -17.614 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.551 -10.569 -16.451 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.075 -11.488 -16.415 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.877 -10.029 -10.114 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.885 -8.954 -9.140 1.00 0.00 C ATOM 1538 C CYS A 125 -0.655 -8.086 -9.365 1.00 0.00 C ATOM 1539 O CYS A 125 0.240 -8.463 -10.116 1.00 0.00 O ATOM 1540 CB CYS A 125 -1.914 -9.506 -7.711 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.506 -8.302 -6.474 1.00 0.00 S ATOM 0 H CYS A 125 -1.138 -10.719 -9.980 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.785 -8.353 -9.268 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.555 -10.387 -7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -0.911 -9.833 -7.436 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.607 -6.921 -8.744 1.00 0.00 N ATOM 1547 CA HIS A 126 0.502 -6.003 -8.963 1.00 0.00 C ATOM 1548 C HIS A 126 0.917 -5.329 -7.666 1.00 0.00 C ATOM 1549 O HIS A 126 0.093 -5.130 -6.771 1.00 0.00 O ATOM 1550 CB HIS A 126 0.131 -4.950 -10.017 1.00 0.00 C ATOM 1551 CG HIS A 126 0.146 -5.474 -11.423 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.871 -5.257 -12.331 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.078 -6.205 -12.078 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.564 -5.833 -13.478 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.613 -6.414 -13.351 1.00 0.00 N ATOM 0 H HIS A 126 -1.315 -6.588 -8.089 1.00 0.00 H new ATOM 0 HA HIS A 126 1.349 -6.582 -9.331 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.862 -4.560 -9.794 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.826 -4.114 -9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.015 -6.558 -11.673 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.173 -5.829 -14.370 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.099 -6.935 -14.081 1.00 0.00 H new ATOM 1563 N SER A 127 2.198 -4.995 -7.567 1.00 0.00 N ATOM 1564 CA SER A 127 2.738 -4.345 -6.386 1.00 0.00 C ATOM 1565 C SER A 127 2.282 -2.891 -6.327 1.00 0.00 C ATOM 1566 O SER A 127 2.489 -2.126 -7.276 1.00 0.00 O ATOM 1567 CB SER A 127 4.266 -4.410 -6.412 1.00 0.00 C ATOM 1568 OG SER A 127 4.728 -5.731 -6.665 1.00 0.00 O ATOM 0 H SER A 127 2.886 -5.167 -8.300 1.00 0.00 H new ATOM 0 HA SER A 127 2.371 -4.863 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.647 -3.737 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.662 -4.061 -5.458 1.00 0.00 H new ATOM 0 HG SER A 127 5.629 -5.839 -6.295 1.00 0.00 H new ATOM 1574 N LEU A 128 1.661 -2.512 -5.219 1.00 0.00 N ATOM 1575 CA LEU A 128 1.155 -1.160 -5.062 1.00 0.00 C ATOM 1576 C LEU A 128 2.303 -0.213 -4.745 1.00 0.00 C ATOM 1577 O LEU A 128 3.043 -0.418 -3.781 1.00 0.00 O ATOM 1578 CB LEU A 128 0.092 -1.119 -3.960 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.807 0.123 -3.946 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.129 -0.198 -3.271 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.124 1.282 -3.232 1.00 0.00 C ATOM 0 H LEU A 128 1.497 -3.122 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 128 0.690 -0.839 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.541 -2.001 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.593 -1.192 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.994 0.420 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.760 0.691 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.631 -0.997 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.946 -0.518 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.782 2.151 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.095 0.997 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.805 1.529 -3.745 1.00 0.00 H new ATOM 1593 N GLY A 129 2.452 0.810 -5.567 1.00 0.00 N ATOM 1594 CA GLY A 129 3.501 1.780 -5.369 1.00 0.00 C ATOM 1595 C GLY A 129 2.946 3.141 -5.017 1.00 0.00 C ATOM 1596 O GLY A 129 1.947 3.581 -5.594 1.00 0.00 O ATOM 0 H GLY A 129 1.857 0.986 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.165 1.441 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.102 1.856 -6.275 1.00 0.00 H new ATOM 1600 N LEU A 130 3.582 3.796 -4.063 1.00 0.00 N ATOM 1601 CA LEU A 130 3.167 5.119 -3.634 1.00 0.00 C ATOM 1602 C LEU A 130 4.310 6.106 -3.825 1.00 0.00 C ATOM 1603 O LEU A 130 5.466 5.796 -3.527 1.00 0.00 O ATOM 1604 CB LEU A 130 2.734 5.086 -2.165 1.00 0.00 C ATOM 1605 CG LEU A 130 2.334 6.436 -1.562 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.146 7.034 -2.299 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.020 6.280 -0.084 1.00 0.00 C ATOM 0 H LEU A 130 4.394 3.430 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 130 2.319 5.439 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.891 4.401 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.550 4.672 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 130 3.176 7.120 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.884 7.992 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.406 7.184 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.296 6.356 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.737 7.247 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.197 5.577 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.900 5.904 0.437 1.00 0.00 H new ATOM 1619 N THR A 131 3.990 7.274 -4.355 1.00 0.00 N ATOM 1620 CA THR A 131 4.976 8.319 -4.557 1.00 0.00 C ATOM 1621 C THR A 131 4.639 9.554 -3.718 1.00 0.00 C ATOM 1622 O THR A 131 3.725 10.306 -4.046 1.00 0.00 O ATOM 1623 CB THR A 131 5.054 8.711 -6.047 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.267 7.538 -6.843 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.175 9.711 -6.299 1.00 0.00 C ATOM 0 H THR A 131 3.047 7.523 -4.655 1.00 0.00 H new ATOM 0 HA THR A 131 5.944 7.931 -4.240 1.00 0.00 H new ATOM 0 HB THR A 131 4.111 9.181 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.315 7.789 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.203 9.967 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.997 10.612 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.128 9.270 -6.007 1.00 0.00 H new ATOM 1633 N CYS A 132 5.368 9.738 -2.628 1.00 0.00 N ATOM 1634 CA CYS A 132 5.205 10.913 -1.780 1.00 0.00 C ATOM 1635 C CYS A 132 6.358 11.877 -2.028 1.00 0.00 C ATOM 1636 O CYS A 132 7.514 11.454 -2.107 1.00 0.00 O ATOM 1637 CB CYS A 132 5.185 10.520 -0.296 1.00 0.00 C ATOM 1638 SG CYS A 132 4.024 9.179 0.128 1.00 0.00 S ATOM 0 H CYS A 132 6.083 9.085 -2.307 1.00 0.00 H new ATOM 0 HA CYS A 132 4.256 11.389 -2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.190 10.217 -0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.932 11.400 0.295 1.00 0.00 H new ATOM 1643 N LEU A 133 6.051 13.159 -2.168 1.00 0.00 N ATOM 1644 CA LEU A 133 7.081 14.176 -2.363 1.00 0.00 C ATOM 1645 C LEU A 133 8.035 14.218 -1.176 1.00 0.00 C ATOM 1646 O LEU A 133 7.604 14.367 -0.038 1.00 0.00 O ATOM 1647 CB LEU A 133 6.446 15.555 -2.544 1.00 0.00 C ATOM 1648 CG LEU A 133 5.846 15.836 -3.922 1.00 0.00 C ATOM 1649 CD1 LEU A 133 5.030 17.121 -3.887 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.946 15.943 -4.967 1.00 0.00 C ATOM 0 H LEU A 133 5.098 13.522 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 133 7.640 13.912 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.662 15.674 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.202 16.312 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 133 5.189 15.009 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.608 17.311 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.224 17.020 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.674 17.953 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.503 16.143 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.622 16.756 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.503 15.007 -5.007 1.00 0.00 H new ATOM 1662 N GLU A 134 9.324 14.073 -1.437 1.00 0.00 N ATOM 1663 CA GLU A 134 10.317 14.197 -0.382 1.00 0.00 C ATOM 1664 C GLU A 134 10.601 15.670 -0.112 1.00 0.00 C ATOM 1665 O GLU A 134 11.474 16.244 -0.793 1.00 0.00 O ATOM 1666 CB GLU A 134 11.619 13.470 -0.747 1.00 0.00 C ATOM 1667 CG GLU A 134 11.458 11.977 -1.020 1.00 0.00 C ATOM 1668 CD GLU A 134 11.169 11.658 -2.476 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.042 12.599 -3.292 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.089 10.457 -2.818 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.926 16.258 0.761 1.00 0.00 O ATOM 0 H GLU A 134 9.705 13.871 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 134 9.915 13.731 0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 134 12.049 13.943 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.334 13.602 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.368 11.459 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.648 11.588 -0.403 1.00 0.00 H new