USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=38 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 45 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 120 SER OG : rot 178:sc= 1.41 USER MOD Set 2.2: A 122 ASN : amide:sc= 0 X(o=1.4,f=1.4) USER MOD Set 3.1: A 27 SER OG : rot 180:sc=-0.00596 USER MOD Set 3.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 115 SER OG : rot -66:sc= 0.849 USER MOD Set 4.1: A 61 SER OG : rot 170:sc= -0.124 USER MOD Set 4.2: A 62 GLN : amide:sc= -0.943 K(o=-1.1,f=-6.2!) USER MOD Set 5.1: A 47 GLN : amide:sc= -1.71! C(o=-0.92!,f=-2.1!) USER MOD Set 5.2: A 58 MET CE :methyl 162:sc= -0.209 (180deg=-0.832) USER MOD Set 5.3: A 98 THR OG1 : rot -121:sc= 1 USER MOD Set 5.4: A 127 SER OG : rot 172:sc= 0 USER MOD Single : A 29 TYR OH : rot 67:sc= 0.355 USER MOD Single : A 34 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.9!) USER MOD Single : A 38 THR OG1 : rot -139:sc= 0.413 USER MOD Single : A 40 SER OG : rot 144:sc= -0.317 USER MOD Single : A 41 ASN :FLIP amide:sc= 0.522 F(o=-0.43,f=0.52) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.0976 (180deg=-0.526) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -0.0026 (180deg=-0.0662) USER MOD Single : A 57 HIS :FLIP+bothHN:sc= 0.322 F(o=-1.3,f=0.32) USER MOD Single : A 63 SER OG : rot 77:sc= 2.05 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -1.4 (180deg=-1.8!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.716 F(o=-1.4!,f=-0.72) USER MOD Single : A 75 SER OG : rot 119:sc= 0.754 USER MOD Single : A 76 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.25) USER MOD Single : A 78 SER OG : rot -25:sc= 0.431 USER MOD Single : A 79 LYS NZ :NH3+ -136:sc= 0.404 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.76! C(o=-1.8!,f=-7!) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0953 F(o=-1.5!,f=-0.095) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -84:sc= 0.0292 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00167 USER MOD Single : A 102 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.5) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 172:sc= -1.37! USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.18) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.111 F(o=-1.8!,f=-0.11) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -0.0068 X(o=-0.0068,f=-0.31) USER MOD Single : A 124 MET CE :methyl -157:sc= -0.268 (180deg=-1.03) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.813 -1.549 11.904 1.00 0.00 N ATOM 24 CA LEU A 26 -6.611 -1.378 11.099 1.00 0.00 C ATOM 25 C LEU A 26 -6.923 -0.476 9.911 1.00 0.00 C ATOM 26 O LEU A 26 -7.558 -0.904 8.950 1.00 0.00 O ATOM 27 CB LEU A 26 -6.068 -2.731 10.600 1.00 0.00 C ATOM 28 CG LEU A 26 -5.138 -3.495 11.559 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.880 -2.686 11.851 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.852 -3.858 12.854 1.00 0.00 C ATOM 0 HA LEU A 26 -5.843 -0.921 11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.917 -3.373 10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.530 -2.559 9.668 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.847 -4.423 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.237 -3.245 12.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.345 -2.496 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.156 -1.737 12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.167 -4.397 13.509 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.189 -2.948 13.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.712 -4.489 12.631 1.00 0.00 H new ATOM 42 N SER A 27 -6.525 0.781 10.001 1.00 0.00 N ATOM 43 CA SER A 27 -6.721 1.731 8.915 1.00 0.00 C ATOM 44 C SER A 27 -5.572 2.730 8.909 1.00 0.00 C ATOM 45 O SER A 27 -4.957 2.968 9.947 1.00 0.00 O ATOM 46 CB SER A 27 -8.066 2.451 9.074 1.00 0.00 C ATOM 47 OG SER A 27 -9.137 1.518 9.134 1.00 0.00 O ATOM 0 H SER A 27 -6.060 1.172 10.821 1.00 0.00 H new ATOM 0 HA SER A 27 -6.735 1.199 7.964 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.054 3.056 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.219 3.133 8.238 1.00 0.00 H new ATOM 0 HG SER A 27 -9.985 1.999 9.237 1.00 0.00 H new ATOM 53 N TRP A 28 -5.271 3.308 7.750 1.00 0.00 N ATOM 54 CA TRP A 28 -4.134 4.215 7.641 1.00 0.00 C ATOM 55 C TRP A 28 -4.467 5.614 8.175 1.00 0.00 C ATOM 56 O TRP A 28 -3.879 6.611 7.757 1.00 0.00 O ATOM 57 CB TRP A 28 -3.598 4.279 6.199 1.00 0.00 C ATOM 58 CG TRP A 28 -4.583 4.714 5.144 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.701 5.484 5.306 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.507 4.418 3.741 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.324 5.673 4.098 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.613 5.030 3.125 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.613 3.691 2.950 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.847 4.940 1.756 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.848 3.603 1.589 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.958 4.225 1.006 1.00 0.00 C ATOM 0 H TRP A 28 -5.791 3.167 6.884 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.341 3.809 8.269 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.749 4.963 6.179 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.220 3.293 5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.044 5.885 6.248 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.180 6.208 3.950 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.755 3.207 3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.702 5.419 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.164 3.045 0.967 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.115 4.138 -0.059 1.00 0.00 H new ATOM 77 N TYR A 29 -5.427 5.673 9.090 1.00 0.00 N ATOM 78 CA TYR A 29 -5.756 6.905 9.793 1.00 0.00 C ATOM 79 C TYR A 29 -5.504 6.732 11.284 1.00 0.00 C ATOM 80 O TYR A 29 -5.717 7.652 12.074 1.00 0.00 O ATOM 81 CB TYR A 29 -7.215 7.306 9.555 1.00 0.00 C ATOM 82 CG TYR A 29 -7.508 7.720 8.129 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.963 8.884 7.601 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.331 6.951 7.316 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.226 9.268 6.301 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.599 7.329 6.015 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.045 8.487 5.512 1.00 0.00 C ATOM 88 OH TYR A 29 -8.309 8.863 4.215 1.00 0.00 O ATOM 0 H TYR A 29 -5.996 4.872 9.364 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.118 7.699 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.860 6.469 9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.470 8.129 10.222 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.323 9.498 8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.768 6.044 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.793 10.174 5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.240 6.720 5.394 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.487 8.809 3.685 1.00 0.00 H new ATOM 98 N ASP A 30 -5.051 5.542 11.658 1.00 0.00 N ATOM 99 CA ASP A 30 -4.770 5.226 13.048 1.00 0.00 C ATOM 100 C ASP A 30 -3.294 5.440 13.347 1.00 0.00 C ATOM 101 O ASP A 30 -2.429 5.067 12.557 1.00 0.00 O ATOM 102 CB ASP A 30 -5.154 3.776 13.364 1.00 0.00 C ATOM 103 CG ASP A 30 -6.651 3.539 13.331 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.225 3.458 12.225 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.259 3.423 14.417 1.00 0.00 O ATOM 0 H ASP A 30 -4.870 4.776 11.010 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.365 5.890 13.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.671 3.113 12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.771 3.511 14.350 1.00 0.00 H new ATOM 110 N PRO A 31 -2.995 6.038 14.507 1.00 0.00 N ATOM 111 CA PRO A 31 -1.623 6.369 14.906 1.00 0.00 C ATOM 112 C PRO A 31 -0.773 5.135 15.189 1.00 0.00 C ATOM 113 O PRO A 31 0.450 5.222 15.306 1.00 0.00 O ATOM 114 CB PRO A 31 -1.811 7.189 16.181 1.00 0.00 C ATOM 115 CG PRO A 31 -3.136 6.780 16.714 1.00 0.00 C ATOM 116 CD PRO A 31 -3.980 6.449 15.519 1.00 0.00 C ATOM 0 HA PRO A 31 -1.092 6.897 14.114 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.017 6.986 16.900 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.784 8.258 15.969 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.041 5.919 17.375 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.586 7.583 17.299 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.689 5.650 15.737 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.561 7.309 15.187 1.00 0.00 H new ATOM 124 N ASP A 32 -1.423 3.986 15.306 1.00 0.00 N ATOM 125 CA ASP A 32 -0.718 2.732 15.548 1.00 0.00 C ATOM 126 C ASP A 32 -0.474 1.984 14.246 1.00 0.00 C ATOM 127 O ASP A 32 0.076 0.884 14.250 1.00 0.00 O ATOM 128 CB ASP A 32 -1.490 1.836 16.520 1.00 0.00 C ATOM 129 CG ASP A 32 -1.466 2.353 17.943 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.365 2.464 18.522 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.548 2.651 18.491 1.00 0.00 O ATOM 0 H ASP A 32 -2.437 3.894 15.238 1.00 0.00 H new ATOM 0 HA ASP A 32 0.243 2.984 15.997 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.524 1.753 16.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.066 0.832 16.496 1.00 0.00 H new ATOM 136 N PHE A 33 -0.882 2.580 13.134 1.00 0.00 N ATOM 137 CA PHE A 33 -0.701 1.956 11.836 1.00 0.00 C ATOM 138 C PHE A 33 0.679 2.289 11.283 1.00 0.00 C ATOM 139 O PHE A 33 0.968 3.440 10.947 1.00 0.00 O ATOM 140 CB PHE A 33 -1.790 2.420 10.866 1.00 0.00 C ATOM 141 CG PHE A 33 -1.718 1.770 9.512 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.221 0.495 9.313 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.152 2.438 8.437 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.160 -0.102 8.069 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.089 1.846 7.192 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.593 0.575 7.007 1.00 0.00 C ATOM 0 H PHE A 33 -1.339 3.492 13.107 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.780 0.875 11.952 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.766 2.214 11.306 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.717 3.501 10.744 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.666 -0.038 10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.756 3.433 8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.555 -1.097 7.927 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.645 2.377 6.363 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.544 0.110 6.033 1.00 0.00 H new ATOM 156 N GLN A 34 1.531 1.282 11.206 1.00 0.00 N ATOM 157 CA GLN A 34 2.872 1.463 10.679 1.00 0.00 C ATOM 158 C GLN A 34 2.922 1.027 9.219 1.00 0.00 C ATOM 159 O GLN A 34 2.281 0.050 8.831 1.00 0.00 O ATOM 160 CB GLN A 34 3.889 0.670 11.508 1.00 0.00 C ATOM 161 CG GLN A 34 4.018 1.136 12.950 1.00 0.00 C ATOM 162 CD GLN A 34 4.653 2.510 13.086 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.501 3.377 12.225 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.383 2.709 14.169 1.00 0.00 N ATOM 0 H GLN A 34 1.318 0.329 11.502 1.00 0.00 H new ATOM 0 HA GLN A 34 3.131 2.520 10.741 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.604 -0.382 11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.865 0.738 11.027 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.029 1.154 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.614 0.412 13.506 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.485 1.965 14.859 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.845 3.607 14.315 1.00 0.00 H new ATOM 173 N ALA A 35 3.677 1.759 8.415 1.00 0.00 N ATOM 174 CA ALA A 35 3.806 1.465 6.998 1.00 0.00 C ATOM 175 C ALA A 35 5.109 2.041 6.469 1.00 0.00 C ATOM 176 O ALA A 35 5.586 3.061 6.966 1.00 0.00 O ATOM 177 CB ALA A 35 2.620 2.028 6.224 1.00 0.00 C ATOM 0 H ALA A 35 4.214 2.569 8.725 1.00 0.00 H new ATOM 0 HA ALA A 35 3.817 0.384 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.734 1.798 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.698 1.581 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.578 3.109 6.358 1.00 0.00 H new ATOM 183 N ARG A 36 5.692 1.388 5.475 1.00 0.00 N ATOM 184 CA ARG A 36 6.953 1.842 4.919 1.00 0.00 C ATOM 185 C ARG A 36 7.047 1.530 3.434 1.00 0.00 C ATOM 186 O ARG A 36 6.498 0.536 2.955 1.00 0.00 O ATOM 187 CB ARG A 36 8.128 1.204 5.665 1.00 0.00 C ATOM 188 CG ARG A 36 8.131 -0.315 5.640 1.00 0.00 C ATOM 189 CD ARG A 36 9.345 -0.874 6.364 1.00 0.00 C ATOM 190 NE ARG A 36 9.398 -0.444 7.759 1.00 0.00 N ATOM 191 CZ ARG A 36 10.258 -0.921 8.650 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.175 -1.804 8.285 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.216 -0.496 9.902 1.00 0.00 N ATOM 0 H ARG A 36 5.313 0.547 5.040 1.00 0.00 H new ATOM 0 HA ARG A 36 6.999 2.924 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.060 1.565 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.110 1.539 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.221 -0.691 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.127 -0.664 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.323 -1.963 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.252 -0.553 5.851 1.00 0.00 H new ATOM 0 HE ARG A 36 8.734 0.266 8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.222 -2.120 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.834 -2.168 8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.523 0.198 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.877 -0.862 10.587 1.00 0.00 H new ATOM 206 N LEU A 37 7.733 2.402 2.713 1.00 0.00 N ATOM 207 CA LEU A 37 8.000 2.200 1.301 1.00 0.00 C ATOM 208 C LEU A 37 9.354 1.527 1.141 1.00 0.00 C ATOM 209 O LEU A 37 10.393 2.122 1.435 1.00 0.00 O ATOM 210 CB LEU A 37 7.982 3.539 0.567 1.00 0.00 C ATOM 211 CG LEU A 37 6.673 4.320 0.674 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.841 5.713 0.099 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.555 3.585 -0.045 1.00 0.00 C ATOM 0 H LEU A 37 8.119 3.267 3.090 1.00 0.00 H new ATOM 0 HA LEU A 37 7.228 1.563 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.790 4.159 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.195 3.361 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 37 6.409 4.407 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.900 6.257 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.617 6.243 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.127 5.641 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.630 4.155 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.813 3.470 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.418 2.602 0.405 1.00 0.00 H new ATOM 225 N THR A 38 9.343 0.283 0.706 1.00 0.00 N ATOM 226 CA THR A 38 10.562 -0.496 0.629 1.00 0.00 C ATOM 227 C THR A 38 10.861 -0.927 -0.798 1.00 0.00 C ATOM 228 O THR A 38 10.176 -0.511 -1.740 1.00 0.00 O ATOM 229 CB THR A 38 10.468 -1.738 1.527 1.00 0.00 C ATOM 230 OG1 THR A 38 9.367 -2.555 1.119 1.00 0.00 O ATOM 231 CG2 THR A 38 10.289 -1.336 2.979 1.00 0.00 C ATOM 0 H THR A 38 8.504 -0.210 0.401 1.00 0.00 H new ATOM 0 HA THR A 38 11.375 0.143 0.975 1.00 0.00 H new ATOM 0 HB THR A 38 11.396 -2.302 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.898 -2.891 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.225 -2.230 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.140 -0.734 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.373 -0.754 3.085 1.00 0.00 H new ATOM 239 N ARG A 39 11.895 -1.765 -0.938 1.00 0.00 N ATOM 240 CA ARG A 39 12.336 -2.280 -2.231 1.00 0.00 C ATOM 241 C ARG A 39 12.819 -1.132 -3.113 1.00 0.00 C ATOM 242 O ARG A 39 12.896 -1.251 -4.336 1.00 0.00 O ATOM 243 CB ARG A 39 11.212 -3.063 -2.927 1.00 0.00 C ATOM 244 CG ARG A 39 10.388 -3.934 -1.985 1.00 0.00 C ATOM 245 CD ARG A 39 11.248 -4.907 -1.201 1.00 0.00 C ATOM 246 NE ARG A 39 10.508 -5.508 -0.091 1.00 0.00 N ATOM 247 CZ ARG A 39 10.942 -6.544 0.622 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.093 -7.131 0.322 1.00 0.00 N ATOM 249 NH2 ARG A 39 10.231 -7.000 1.640 1.00 0.00 N ATOM 0 H ARG A 39 12.449 -2.104 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 39 13.165 -2.968 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.548 -2.358 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.648 -3.695 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.839 -3.297 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.648 -4.489 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.608 -5.692 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.126 -4.388 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 39 9.602 -5.107 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.652 -6.789 -0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.420 -7.925 0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.345 -6.557 1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.569 -7.795 2.183 1.00 0.00 H new ATOM 262 N SER A 40 13.157 -0.023 -2.470 1.00 0.00 N ATOM 263 CA SER A 40 13.603 1.171 -3.154 1.00 0.00 C ATOM 264 C SER A 40 14.441 2.012 -2.199 1.00 0.00 C ATOM 265 O SER A 40 14.379 1.829 -0.981 1.00 0.00 O ATOM 266 CB SER A 40 12.386 1.968 -3.645 1.00 0.00 C ATOM 267 OG SER A 40 11.532 2.312 -2.568 1.00 0.00 O ATOM 0 H SER A 40 13.128 0.069 -1.455 1.00 0.00 H new ATOM 0 HA SER A 40 14.212 0.899 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.721 2.874 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.833 1.379 -4.377 1.00 0.00 H new ATOM 0 HG SER A 40 11.153 3.202 -2.723 1.00 0.00 H new ATOM 273 N ASN A 41 15.242 2.910 -2.750 1.00 0.00 N ATOM 274 CA ASN A 41 16.062 3.799 -1.940 1.00 0.00 C ATOM 275 C ASN A 41 15.388 5.166 -1.870 1.00 0.00 C ATOM 276 O ASN A 41 15.803 6.060 -1.135 1.00 0.00 O ATOM 277 CB ASN A 41 17.468 3.898 -2.541 1.00 0.00 C ATOM 278 CG ASN A 41 18.515 4.428 -1.571 1.00 0.00 C ATOM 279 OD1 ASN A 41 19.730 3.916 -1.687 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 18.240 5.265 -0.716 1.00 0.00 N flip ATOM 0 H ASN A 41 15.342 3.043 -3.756 1.00 0.00 H new ATOM 0 HA ASN A 41 16.160 3.407 -0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 41 17.775 2.911 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.434 4.548 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.293 5.639 -0.654 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.958 5.586 -0.067 1.00 0.00 H new ATOM 287 N SER A 42 14.327 5.308 -2.647 1.00 0.00 N ATOM 288 CA SER A 42 13.519 6.507 -2.631 1.00 0.00 C ATOM 289 C SER A 42 12.580 6.461 -1.428 1.00 0.00 C ATOM 290 O SER A 42 11.660 5.644 -1.369 1.00 0.00 O ATOM 291 CB SER A 42 12.739 6.609 -3.940 1.00 0.00 C ATOM 292 OG SER A 42 13.597 6.388 -5.049 1.00 0.00 O ATOM 0 H SER A 42 14.006 4.596 -3.303 1.00 0.00 H new ATOM 0 HA SER A 42 14.151 7.391 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.931 5.877 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.278 7.594 -4.020 1.00 0.00 H new ATOM 0 HG SER A 42 13.082 6.455 -5.880 1.00 0.00 H new ATOM 298 N LYS A 43 12.820 7.339 -0.471 1.00 0.00 N ATOM 299 CA LYS A 43 12.142 7.277 0.819 1.00 0.00 C ATOM 300 C LYS A 43 10.700 7.763 0.722 1.00 0.00 C ATOM 301 O LYS A 43 9.898 7.535 1.626 1.00 0.00 O ATOM 302 CB LYS A 43 12.915 8.097 1.855 1.00 0.00 C ATOM 303 CG LYS A 43 14.351 7.628 2.041 1.00 0.00 C ATOM 304 CD LYS A 43 15.140 8.567 2.935 1.00 0.00 C ATOM 305 CE LYS A 43 16.598 8.147 3.020 1.00 0.00 C ATOM 306 NZ LYS A 43 17.235 8.080 1.674 1.00 0.00 N ATOM 0 H LYS A 43 13.483 8.109 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 43 12.114 6.234 1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.918 9.144 1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.396 8.044 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.353 6.627 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.839 7.556 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.073 9.584 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.703 8.577 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.144 8.853 3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.668 7.173 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.269 8.128 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.974 7.186 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.907 8.879 1.095 1.00 0.00 H new ATOM 319 N CYS A 44 10.369 8.424 -0.374 1.00 0.00 N ATOM 320 CA CYS A 44 9.012 8.901 -0.581 1.00 0.00 C ATOM 321 C CYS A 44 8.405 8.274 -1.829 1.00 0.00 C ATOM 322 O CYS A 44 7.397 8.754 -2.352 1.00 0.00 O ATOM 323 CB CYS A 44 8.997 10.424 -0.692 1.00 0.00 C ATOM 324 SG CYS A 44 9.723 11.281 0.746 1.00 0.00 S ATOM 0 H CYS A 44 11.017 8.642 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 44 8.410 8.606 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.541 10.718 -1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.967 10.758 -0.819 1.00 0.00 H new ATOM 329 N GLN A 45 9.013 7.190 -2.300 1.00 0.00 N ATOM 330 CA GLN A 45 8.552 6.521 -3.508 1.00 0.00 C ATOM 331 C GLN A 45 9.052 5.083 -3.551 1.00 0.00 C ATOM 332 O GLN A 45 10.252 4.833 -3.649 1.00 0.00 O ATOM 333 CB GLN A 45 9.030 7.279 -4.748 1.00 0.00 C ATOM 334 CG GLN A 45 8.676 6.604 -6.065 1.00 0.00 C ATOM 335 CD GLN A 45 9.274 7.314 -7.263 1.00 0.00 C ATOM 336 OE1 GLN A 45 8.538 8.262 -7.818 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 10.390 7.012 -7.685 1.00 0.00 N flip ATOM 0 H GLN A 45 9.826 6.757 -1.862 1.00 0.00 H new ATOM 0 HA GLN A 45 7.462 6.509 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.598 8.280 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.112 7.398 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.027 5.572 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.592 6.570 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.926 6.274 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.779 7.500 -8.492 1.00 0.00 H new ATOM 346 N GLY A 46 8.132 4.143 -3.476 1.00 0.00 N ATOM 347 CA GLY A 46 8.506 2.746 -3.515 1.00 0.00 C ATOM 348 C GLY A 46 7.315 1.838 -3.338 1.00 0.00 C ATOM 349 O GLY A 46 6.174 2.250 -3.572 1.00 0.00 O ATOM 0 H GLY A 46 7.131 4.319 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.991 2.527 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.236 2.544 -2.731 1.00 0.00 H new ATOM 353 N GLN A 47 7.571 0.608 -2.920 1.00 0.00 N ATOM 354 CA GLN A 47 6.513 -0.368 -2.729 1.00 0.00 C ATOM 355 C GLN A 47 6.011 -0.329 -1.294 1.00 0.00 C ATOM 356 O GLN A 47 6.800 -0.252 -0.352 1.00 0.00 O ATOM 357 CB GLN A 47 7.011 -1.764 -3.103 1.00 0.00 C ATOM 358 CG GLN A 47 7.301 -1.905 -4.587 1.00 0.00 C ATOM 359 CD GLN A 47 7.792 -3.285 -4.962 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.990 -3.551 -4.996 1.00 0.00 O ATOM 361 NE2 GLN A 47 6.864 -4.176 -5.242 1.00 0.00 N ATOM 0 H GLN A 47 8.507 0.262 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 47 5.678 -0.120 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.916 -1.986 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.264 -2.502 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.396 -1.681 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.049 -1.167 -4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.879 -3.916 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.131 -5.127 -5.498 1.00 0.00 H new ATOM 370 N LEU A 48 4.697 -0.373 -1.134 1.00 0.00 N ATOM 371 CA LEU A 48 4.082 -0.185 0.170 1.00 0.00 C ATOM 372 C LEU A 48 3.980 -1.495 0.940 1.00 0.00 C ATOM 373 O LEU A 48 3.270 -2.421 0.535 1.00 0.00 O ATOM 374 CB LEU A 48 2.689 0.434 0.019 1.00 0.00 C ATOM 375 CG LEU A 48 1.982 0.785 1.334 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.712 1.907 2.060 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.534 1.174 1.073 1.00 0.00 C ATOM 0 H LEU A 48 4.036 -0.538 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 48 4.722 0.492 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.775 1.340 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.060 -0.259 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 48 1.995 -0.098 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.192 2.138 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.732 1.593 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.736 2.794 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.048 1.420 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.503 2.041 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.013 0.341 0.602 1.00 0.00 H new ATOM 389 N GLU A 49 4.702 -1.563 2.047 1.00 0.00 N ATOM 390 CA GLU A 49 4.546 -2.648 2.997 1.00 0.00 C ATOM 391 C GLU A 49 3.905 -2.107 4.262 1.00 0.00 C ATOM 392 O GLU A 49 4.359 -1.103 4.820 1.00 0.00 O ATOM 393 CB GLU A 49 5.888 -3.314 3.325 1.00 0.00 C ATOM 394 CG GLU A 49 6.514 -4.044 2.147 1.00 0.00 C ATOM 395 CD GLU A 49 7.764 -4.815 2.526 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.717 -4.198 3.043 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.810 -6.037 2.278 1.00 0.00 O ATOM 0 H GLU A 49 5.406 -0.873 2.309 1.00 0.00 H new ATOM 0 HA GLU A 49 3.908 -3.411 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.583 -2.554 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.743 -4.020 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.783 -4.733 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.761 -3.322 1.368 1.00 0.00 H new ATOM 404 N VAL A 50 2.839 -2.753 4.695 1.00 0.00 N ATOM 405 CA VAL A 50 2.100 -2.296 5.860 1.00 0.00 C ATOM 406 C VAL A 50 2.335 -3.219 7.044 1.00 0.00 C ATOM 407 O VAL A 50 2.633 -4.406 6.874 1.00 0.00 O ATOM 408 CB VAL A 50 0.582 -2.194 5.582 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.307 -1.211 4.451 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.013 -3.561 5.266 1.00 0.00 C ATOM 0 H VAL A 50 2.464 -3.596 4.259 1.00 0.00 H new ATOM 0 HA VAL A 50 2.471 -1.299 6.096 1.00 0.00 H new ATOM 0 HB VAL A 50 0.100 -1.821 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.767 -1.154 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.682 -0.225 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.809 -1.549 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.081 -3.458 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.475 -3.975 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.141 -4.229 6.113 1.00 0.00 H new ATOM 420 N TYR A 51 2.218 -2.668 8.239 1.00 0.00 N ATOM 421 CA TYR A 51 2.413 -3.437 9.452 1.00 0.00 C ATOM 422 C TYR A 51 1.078 -3.863 10.039 1.00 0.00 C ATOM 423 O TYR A 51 0.254 -3.028 10.419 1.00 0.00 O ATOM 424 CB TYR A 51 3.194 -2.624 10.487 1.00 0.00 C ATOM 425 CG TYR A 51 3.357 -3.326 11.821 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.334 -4.296 12.009 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.523 -3.020 12.893 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.476 -4.942 13.223 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.660 -3.660 14.109 1.00 0.00 C ATOM 430 CZ TYR A 51 3.636 -4.620 14.269 1.00 0.00 C ATOM 431 OH TYR A 51 3.774 -5.260 15.481 1.00 0.00 O ATOM 0 H TYR A 51 1.988 -1.686 8.394 1.00 0.00 H new ATOM 0 HA TYR A 51 2.986 -4.328 9.195 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.181 -2.394 10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.686 -1.673 10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.994 -4.550 11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.756 -2.269 12.772 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.240 -5.694 13.352 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.005 -3.409 14.931 1.00 0.00 H new ATOM 0 HH TYR A 51 3.106 -4.916 16.110 1.00 0.00 H new ATOM 441 N LEU A 52 0.870 -5.161 10.100 1.00 0.00 N ATOM 442 CA LEU A 52 -0.266 -5.716 10.806 1.00 0.00 C ATOM 443 C LEU A 52 0.245 -6.374 12.079 1.00 0.00 C ATOM 444 O LEU A 52 1.451 -6.367 12.322 1.00 0.00 O ATOM 445 CB LEU A 52 -1.029 -6.714 9.926 1.00 0.00 C ATOM 446 CG LEU A 52 -1.554 -6.147 8.600 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.297 -7.218 7.817 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.460 -4.948 8.839 1.00 0.00 C ATOM 0 H LEU A 52 1.477 -5.856 9.666 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.971 -4.924 11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.373 -7.557 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.873 -7.105 10.495 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.696 -5.816 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.662 -6.797 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.622 -8.047 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.141 -7.579 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.818 -4.566 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.310 -5.251 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.902 -4.167 9.356 1.00 0.00 H new ATOM 460 N LYS A 53 -0.637 -6.938 12.888 1.00 0.00 N ATOM 461 CA LYS A 53 -0.230 -7.483 14.181 1.00 0.00 C ATOM 462 C LYS A 53 0.854 -8.554 14.031 1.00 0.00 C ATOM 463 O LYS A 53 1.719 -8.696 14.898 1.00 0.00 O ATOM 464 CB LYS A 53 -1.432 -8.065 14.924 1.00 0.00 C ATOM 465 CG LYS A 53 -1.121 -8.465 16.356 1.00 0.00 C ATOM 466 CD LYS A 53 -0.691 -7.265 17.189 1.00 0.00 C ATOM 467 CE LYS A 53 -0.423 -7.652 18.634 1.00 0.00 C ATOM 468 NZ LYS A 53 0.740 -8.572 18.764 1.00 0.00 N ATOM 0 H LYS A 53 -1.631 -7.032 12.679 1.00 0.00 H new ATOM 0 HA LYS A 53 0.186 -6.659 14.760 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.238 -7.331 14.927 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.797 -8.938 14.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.001 -8.925 16.806 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.331 -9.216 16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.208 -6.825 16.757 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.468 -6.501 17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.239 -6.752 19.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.310 -8.129 19.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.959 -8.715 19.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.509 -9.487 18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.565 -8.158 18.286 1.00 0.00 H new ATOM 481 N ASP A 54 0.818 -9.284 12.923 1.00 0.00 N ATOM 482 CA ASP A 54 1.746 -10.391 12.706 1.00 0.00 C ATOM 483 C ASP A 54 3.088 -9.900 12.165 1.00 0.00 C ATOM 484 O ASP A 54 4.101 -10.596 12.275 1.00 0.00 O ATOM 485 CB ASP A 54 1.151 -11.413 11.732 1.00 0.00 C ATOM 486 CG ASP A 54 1.270 -10.980 10.284 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.518 -10.076 9.862 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.115 -11.551 9.561 1.00 0.00 O ATOM 0 H ASP A 54 0.158 -9.131 12.161 1.00 0.00 H new ATOM 0 HA ASP A 54 1.913 -10.865 13.673 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.656 -12.370 11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.100 -11.571 11.975 1.00 0.00 H new ATOM 493 N GLY A 55 3.100 -8.711 11.581 1.00 0.00 N ATOM 494 CA GLY A 55 4.316 -8.195 10.992 1.00 0.00 C ATOM 495 C GLY A 55 4.056 -7.390 9.736 1.00 0.00 C ATOM 496 O GLY A 55 2.987 -6.801 9.575 1.00 0.00 O ATOM 0 H GLY A 55 2.290 -8.096 11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.832 -7.569 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.982 -9.025 10.756 1.00 0.00 H new ATOM 500 N TRP A 56 5.028 -7.386 8.837 1.00 0.00 N ATOM 501 CA TRP A 56 4.951 -6.581 7.626 1.00 0.00 C ATOM 502 C TRP A 56 4.445 -7.407 6.449 1.00 0.00 C ATOM 503 O TRP A 56 4.761 -8.592 6.327 1.00 0.00 O ATOM 504 CB TRP A 56 6.324 -5.978 7.301 1.00 0.00 C ATOM 505 CG TRP A 56 6.793 -4.994 8.327 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.618 -5.245 9.384 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.461 -3.604 8.398 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.817 -4.096 10.110 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.115 -3.074 9.525 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.672 -2.758 7.617 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.002 -1.733 9.888 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.561 -1.431 7.977 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.220 -0.930 9.103 1.00 0.00 C ATOM 0 H TRP A 56 5.884 -7.934 8.923 1.00 0.00 H new ATOM 0 HA TRP A 56 4.241 -5.772 7.802 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.056 -6.781 7.216 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.277 -5.486 6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.051 -6.207 9.616 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.393 -4.016 10.948 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.157 -3.136 6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.512 -1.342 10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.954 -0.768 7.378 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.110 0.113 9.359 1.00 0.00 H new ATOM 524 N HIS A 57 3.649 -6.778 5.593 1.00 0.00 N ATOM 525 CA HIS A 57 3.097 -7.442 4.418 1.00 0.00 C ATOM 526 C HIS A 57 2.970 -6.474 3.248 1.00 0.00 C ATOM 527 O HIS A 57 2.656 -5.297 3.433 1.00 0.00 O ATOM 528 CB HIS A 57 1.725 -8.049 4.732 1.00 0.00 C ATOM 529 CG HIS A 57 1.793 -9.449 5.264 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.199 -10.596 4.670 1.00 0.00 N flip ATOM 531 CD2 HIS A 57 1.398 -9.800 6.538 1.00 0.00 C flip ATOM 532 CE1 HIS A 57 2.040 -11.607 5.582 1.00 0.00 C flip ATOM 533 NE2 HIS A 57 1.555 -11.101 6.701 1.00 0.00 N flip ATOM 0 H HIS A 57 3.370 -5.802 5.692 1.00 0.00 H new ATOM 0 HA HIS A 57 3.786 -8.239 4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.216 -7.417 5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.119 -8.043 3.826 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.557 -10.690 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.020 -9.118 7.285 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.273 -12.648 5.413 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.338 -11.626 7.548 1.00 0.00 H new ATOM 541 N MET A 58 3.212 -6.983 2.046 1.00 0.00 N ATOM 542 CA MET A 58 3.106 -6.183 0.828 1.00 0.00 C ATOM 543 C MET A 58 1.655 -6.127 0.364 1.00 0.00 C ATOM 544 O MET A 58 0.950 -7.130 0.426 1.00 0.00 O ATOM 545 CB MET A 58 3.971 -6.789 -0.280 1.00 0.00 C ATOM 546 CG MET A 58 5.446 -6.879 0.074 1.00 0.00 C ATOM 547 SD MET A 58 6.414 -7.716 -1.197 1.00 0.00 S ATOM 548 CE MET A 58 6.023 -6.716 -2.627 1.00 0.00 C ATOM 0 H MET A 58 3.485 -7.953 1.887 1.00 0.00 H new ATOM 0 HA MET A 58 3.456 -5.174 1.045 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.601 -7.788 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.860 -6.190 -1.184 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.842 -5.875 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.557 -7.410 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.765 -6.889 -3.406 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.035 -6.986 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.030 -5.663 -2.347 1.00 0.00 H new ATOM 558 N VAL A 59 1.212 -4.971 -0.105 1.00 0.00 N ATOM 559 CA VAL A 59 -0.172 -4.812 -0.541 1.00 0.00 C ATOM 560 C VAL A 59 -0.269 -4.819 -2.068 1.00 0.00 C ATOM 561 O VAL A 59 0.547 -4.200 -2.751 1.00 0.00 O ATOM 562 CB VAL A 59 -0.784 -3.500 0.006 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.230 -3.331 -0.445 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.698 -3.457 1.524 1.00 0.00 C ATOM 0 H VAL A 59 1.785 -4.132 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.735 -5.657 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.204 -2.672 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.630 -2.400 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.271 -3.304 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.825 -4.168 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.134 -2.526 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.245 -4.302 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.346 -3.512 1.831 1.00 0.00 H new ATOM 574 N CYS A 60 -1.248 -5.548 -2.594 1.00 0.00 N ATOM 575 CA CYS A 60 -1.532 -5.544 -4.028 1.00 0.00 C ATOM 576 C CYS A 60 -2.501 -4.413 -4.378 1.00 0.00 C ATOM 577 O CYS A 60 -3.428 -4.122 -3.618 1.00 0.00 O ATOM 578 CB CYS A 60 -2.126 -6.889 -4.455 1.00 0.00 C ATOM 579 SG CYS A 60 -0.956 -8.285 -4.385 1.00 0.00 S ATOM 0 H CYS A 60 -1.862 -6.152 -2.047 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.596 -5.383 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.980 -7.114 -3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.504 -6.798 -5.473 1.00 0.00 H new ATOM 584 N SER A 61 -2.293 -3.785 -5.533 1.00 0.00 N ATOM 585 CA SER A 61 -3.107 -2.645 -5.949 1.00 0.00 C ATOM 586 C SER A 61 -4.518 -3.069 -6.377 1.00 0.00 C ATOM 587 O SER A 61 -5.351 -2.225 -6.715 1.00 0.00 O ATOM 588 CB SER A 61 -2.410 -1.901 -7.091 1.00 0.00 C ATOM 589 OG SER A 61 -2.155 -2.762 -8.186 1.00 0.00 O ATOM 0 H SER A 61 -1.566 -4.047 -6.199 1.00 0.00 H new ATOM 0 HA SER A 61 -3.215 -1.983 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.032 -1.068 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.472 -1.477 -6.733 1.00 0.00 H new ATOM 0 HG SER A 61 -1.860 -2.233 -8.956 1.00 0.00 H new ATOM 595 N GLN A 62 -4.781 -4.375 -6.363 1.00 0.00 N ATOM 596 CA GLN A 62 -6.100 -4.907 -6.713 1.00 0.00 C ATOM 597 C GLN A 62 -7.049 -4.817 -5.518 1.00 0.00 C ATOM 598 O GLN A 62 -8.215 -5.213 -5.604 1.00 0.00 O ATOM 599 CB GLN A 62 -6.008 -6.371 -7.171 1.00 0.00 C ATOM 600 CG GLN A 62 -5.303 -6.599 -8.507 1.00 0.00 C ATOM 601 CD GLN A 62 -3.835 -6.212 -8.495 1.00 0.00 C ATOM 602 OE1 GLN A 62 -2.973 -7.002 -8.112 1.00 0.00 O ATOM 603 NE2 GLN A 62 -3.537 -5.009 -8.948 1.00 0.00 N ATOM 0 H GLN A 62 -4.096 -5.088 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.486 -4.304 -7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.486 -6.942 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.018 -6.776 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.390 -7.651 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.815 -6.026 -9.280 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.280 -4.382 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.564 -4.706 -8.989 1.00 0.00 H new ATOM 612 N SER A 63 -6.539 -4.297 -4.411 1.00 0.00 N ATOM 613 CA SER A 63 -7.292 -4.222 -3.168 1.00 0.00 C ATOM 614 C SER A 63 -8.433 -3.212 -3.253 1.00 0.00 C ATOM 615 O SER A 63 -8.450 -2.346 -4.129 1.00 0.00 O ATOM 616 CB SER A 63 -6.352 -3.842 -2.020 1.00 0.00 C ATOM 617 OG SER A 63 -5.367 -4.842 -1.821 1.00 0.00 O ATOM 0 H SER A 63 -5.595 -3.916 -4.349 1.00 0.00 H new ATOM 0 HA SER A 63 -7.730 -5.203 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.870 -2.889 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.927 -3.705 -1.104 1.00 0.00 H new ATOM 0 HG SER A 63 -4.682 -4.769 -2.518 1.00 0.00 H new ATOM 623 N TRP A 64 -9.387 -3.357 -2.334 1.00 0.00 N ATOM 624 CA TRP A 64 -10.512 -2.434 -2.192 1.00 0.00 C ATOM 625 C TRP A 64 -11.366 -2.387 -3.456 1.00 0.00 C ATOM 626 O TRP A 64 -11.988 -1.370 -3.764 1.00 0.00 O ATOM 627 CB TRP A 64 -10.008 -1.039 -1.813 1.00 0.00 C ATOM 628 CG TRP A 64 -9.179 -1.047 -0.562 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.597 -1.370 0.696 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.788 -0.727 -0.452 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.554 -1.268 1.580 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.434 -0.876 0.902 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.805 -0.330 -1.365 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.144 -0.640 1.362 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.525 -0.097 -0.905 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.205 -0.254 0.447 1.00 0.00 C ATOM 0 H TRP A 64 -9.401 -4.124 -1.662 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.151 -2.802 -1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.416 -0.635 -2.634 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.860 -0.373 -1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.603 -1.663 0.957 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.606 -1.454 2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.044 -0.208 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.892 -0.757 2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.758 0.211 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.193 -0.066 0.776 1.00 0.00 H new ATOM 647 N GLY A 65 -11.387 -3.502 -4.175 1.00 0.00 N ATOM 648 CA GLY A 65 -12.226 -3.622 -5.350 1.00 0.00 C ATOM 649 C GLY A 65 -11.761 -2.753 -6.499 1.00 0.00 C ATOM 650 O GLY A 65 -12.581 -2.190 -7.225 1.00 0.00 O ATOM 0 H GLY A 65 -10.833 -4.331 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.243 -4.663 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.249 -3.352 -5.088 1.00 0.00 H new ATOM 654 N ARG A 66 -10.452 -2.622 -6.658 1.00 0.00 N ATOM 655 CA ARG A 66 -9.907 -1.882 -7.783 1.00 0.00 C ATOM 656 C ARG A 66 -9.752 -2.794 -8.991 1.00 0.00 C ATOM 657 O ARG A 66 -8.825 -3.602 -9.058 1.00 0.00 O ATOM 658 CB ARG A 66 -8.563 -1.242 -7.437 1.00 0.00 C ATOM 659 CG ARG A 66 -8.675 -0.059 -6.492 1.00 0.00 C ATOM 660 CD ARG A 66 -7.349 0.674 -6.381 1.00 0.00 C ATOM 661 NE ARG A 66 -7.465 1.912 -5.605 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.780 3.023 -5.874 1.00 0.00 C ATOM 663 NH1 ARG A 66 -5.933 3.049 -6.893 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.952 4.115 -5.142 1.00 0.00 N ATOM 0 H ARG A 66 -9.754 -3.015 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.609 -1.083 -8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.917 -1.996 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.078 -0.916 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.445 0.625 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.988 -0.404 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.613 0.021 -5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.979 0.906 -7.380 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.107 1.924 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.805 2.219 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.409 3.899 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.613 4.109 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.423 4.961 -5.356 1.00 0.00 H new ATOM 677 N SER A 67 -10.673 -2.668 -9.931 1.00 0.00 N ATOM 678 CA SER A 67 -10.653 -3.467 -11.147 1.00 0.00 C ATOM 679 C SER A 67 -9.815 -2.784 -12.222 1.00 0.00 C ATOM 680 O SER A 67 -9.690 -3.281 -13.342 1.00 0.00 O ATOM 681 CB SER A 67 -12.082 -3.672 -11.650 1.00 0.00 C ATOM 682 OG SER A 67 -12.923 -4.137 -10.610 1.00 0.00 O ATOM 0 H SER A 67 -11.453 -2.013 -9.875 1.00 0.00 H new ATOM 0 HA SER A 67 -10.205 -4.436 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.471 -2.733 -12.045 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.083 -4.388 -12.472 1.00 0.00 H new ATOM 0 HG SER A 67 -13.832 -4.259 -10.955 1.00 0.00 H new ATOM 688 N SER A 68 -9.236 -1.649 -11.869 1.00 0.00 N ATOM 689 CA SER A 68 -8.467 -0.863 -12.812 1.00 0.00 C ATOM 690 C SER A 68 -6.998 -0.830 -12.404 1.00 0.00 C ATOM 691 O SER A 68 -6.631 -1.339 -11.341 1.00 0.00 O ATOM 692 CB SER A 68 -9.035 0.558 -12.889 1.00 0.00 C ATOM 693 OG SER A 68 -8.571 1.246 -14.038 1.00 0.00 O ATOM 0 H SER A 68 -9.286 -1.252 -10.931 1.00 0.00 H new ATOM 0 HA SER A 68 -8.537 -1.324 -13.797 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.124 0.514 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.752 1.112 -11.994 1.00 0.00 H new ATOM 0 HG SER A 68 -8.954 2.148 -14.056 1.00 0.00 H new ATOM 699 N LYS A 69 -6.167 -0.230 -13.240 1.00 0.00 N ATOM 700 CA LYS A 69 -4.739 -0.142 -12.968 1.00 0.00 C ATOM 701 C LYS A 69 -4.491 0.828 -11.808 1.00 0.00 C ATOM 702 O LYS A 69 -3.802 0.497 -10.838 1.00 0.00 O ATOM 703 CB LYS A 69 -4.001 0.306 -14.236 1.00 0.00 C ATOM 704 CG LYS A 69 -2.496 0.111 -14.186 1.00 0.00 C ATOM 705 CD LYS A 69 -1.864 0.457 -15.524 1.00 0.00 C ATOM 706 CE LYS A 69 -0.356 0.297 -15.496 1.00 0.00 C ATOM 707 NZ LYS A 69 0.275 1.152 -14.456 1.00 0.00 N ATOM 0 H LYS A 69 -6.456 0.205 -14.116 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.357 -1.121 -12.678 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.399 -0.246 -15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.213 1.361 -14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.069 0.738 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.267 -0.923 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.283 -0.184 -16.300 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.115 1.484 -15.789 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.106 -0.747 -15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.054 0.552 -16.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.193 0.746 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.419 2.110 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.345 1.199 -13.622 1.00 0.00 H new ATOM 720 N GLN A 70 -5.082 2.009 -11.908 1.00 0.00 N ATOM 721 CA GLN A 70 -4.996 3.017 -10.860 1.00 0.00 C ATOM 722 C GLN A 70 -6.291 3.819 -10.809 1.00 0.00 C ATOM 723 O GLN A 70 -6.816 4.218 -11.850 1.00 0.00 O ATOM 724 CB GLN A 70 -3.820 3.968 -11.117 1.00 0.00 C ATOM 725 CG GLN A 70 -3.746 5.125 -10.125 1.00 0.00 C ATOM 726 CD GLN A 70 -2.714 6.175 -10.501 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.481 6.345 -11.794 1.00 0.00 O flip ATOM 728 NE2 GLN A 70 -2.140 6.837 -9.635 1.00 0.00 N flip ATOM 0 H GLN A 70 -5.634 2.296 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.837 2.510 -9.908 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.889 3.402 -11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.902 4.370 -12.127 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.726 5.597 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.510 4.732 -9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.347 6.676 -8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.458 7.546 -9.904 1.00 0.00 H new ATOM 737 N TRP A 71 -6.815 4.042 -9.613 1.00 0.00 N ATOM 738 CA TRP A 71 -7.976 4.903 -9.457 1.00 0.00 C ATOM 739 C TRP A 71 -7.484 6.319 -9.180 1.00 0.00 C ATOM 740 O TRP A 71 -6.457 6.500 -8.523 1.00 0.00 O ATOM 741 CB TRP A 71 -8.883 4.400 -8.329 1.00 0.00 C ATOM 742 CG TRP A 71 -10.320 4.788 -8.506 1.00 0.00 C ATOM 743 CD1 TRP A 71 -11.274 4.089 -9.189 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.965 5.963 -8.003 1.00 0.00 C ATOM 745 NE1 TRP A 71 -12.472 4.756 -9.141 1.00 0.00 N ATOM 746 CE2 TRP A 71 -12.308 5.909 -8.417 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.540 7.052 -7.243 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -13.226 6.903 -8.097 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.452 8.039 -6.925 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.781 7.958 -7.352 1.00 0.00 C ATOM 0 H TRP A 71 -6.459 3.643 -8.745 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.572 4.894 -10.370 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.812 3.314 -8.272 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.522 4.794 -7.379 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.109 3.148 -9.693 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.342 4.445 -9.573 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.515 7.122 -6.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.253 6.843 -8.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.134 8.887 -6.337 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.470 8.746 -7.087 1.00 0.00 H new ATOM 761 N GLU A 72 -8.210 7.313 -9.675 1.00 0.00 N ATOM 762 CA GLU A 72 -7.730 8.694 -9.675 1.00 0.00 C ATOM 763 C GLU A 72 -7.866 9.357 -8.299 1.00 0.00 C ATOM 764 O GLU A 72 -8.530 10.385 -8.157 1.00 0.00 O ATOM 765 CB GLU A 72 -8.485 9.511 -10.729 1.00 0.00 C ATOM 766 CG GLU A 72 -7.801 10.821 -11.083 1.00 0.00 C ATOM 767 CD GLU A 72 -8.623 11.673 -12.026 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.739 11.312 -13.215 1.00 0.00 O ATOM 769 OE2 GLU A 72 -9.150 12.716 -11.582 1.00 0.00 O ATOM 0 H GLU A 72 -9.137 7.191 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.668 8.670 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.594 8.911 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.490 9.722 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.606 11.383 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.834 10.609 -11.540 1.00 0.00 H new ATOM 776 N ASP A 73 -7.243 8.757 -7.291 1.00 0.00 N ATOM 777 CA ASP A 73 -7.138 9.378 -5.975 1.00 0.00 C ATOM 778 C ASP A 73 -6.186 8.599 -5.074 1.00 0.00 C ATOM 779 O ASP A 73 -6.541 7.547 -4.539 1.00 0.00 O ATOM 780 CB ASP A 73 -8.496 9.500 -5.284 1.00 0.00 C ATOM 781 CG ASP A 73 -8.419 10.397 -4.064 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.123 9.897 -2.962 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.628 11.623 -4.209 1.00 0.00 O ATOM 0 H ASP A 73 -6.802 7.840 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.745 10.381 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.228 9.900 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.845 8.511 -4.988 1.00 0.00 H new ATOM 788 N PRO A 74 -4.947 9.083 -4.933 1.00 0.00 N ATOM 789 CA PRO A 74 -3.995 8.566 -3.958 1.00 0.00 C ATOM 790 C PRO A 74 -4.032 9.367 -2.656 1.00 0.00 C ATOM 791 O PRO A 74 -3.350 9.041 -1.684 1.00 0.00 O ATOM 792 CB PRO A 74 -2.668 8.783 -4.674 1.00 0.00 C ATOM 793 CG PRO A 74 -2.863 10.045 -5.448 1.00 0.00 C ATOM 794 CD PRO A 74 -4.342 10.147 -5.756 1.00 0.00 C ATOM 0 HA PRO A 74 -4.191 7.534 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.845 8.875 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.430 7.947 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.528 10.907 -4.872 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.277 10.029 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.738 11.128 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.541 9.994 -6.817 1.00 0.00 H new ATOM 802 N SER A 75 -4.867 10.398 -2.656 1.00 0.00 N ATOM 803 CA SER A 75 -4.869 11.427 -1.625 1.00 0.00 C ATOM 804 C SER A 75 -5.226 10.884 -0.247 1.00 0.00 C ATOM 805 O SER A 75 -4.828 11.454 0.766 1.00 0.00 O ATOM 806 CB SER A 75 -5.867 12.514 -2.008 1.00 0.00 C ATOM 807 OG SER A 75 -6.115 12.508 -3.405 1.00 0.00 O ATOM 0 H SER A 75 -5.570 10.545 -3.380 1.00 0.00 H new ATOM 0 HA SER A 75 -3.857 11.826 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.802 12.361 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.482 13.488 -1.708 1.00 0.00 H new ATOM 0 HG SER A 75 -7.066 12.334 -3.568 1.00 0.00 H new ATOM 813 N GLN A 76 -5.969 9.789 -0.211 1.00 0.00 N ATOM 814 CA GLN A 76 -6.462 9.241 1.048 1.00 0.00 C ATOM 815 C GLN A 76 -5.329 8.703 1.922 1.00 0.00 C ATOM 816 O GLN A 76 -5.523 8.453 3.111 1.00 0.00 O ATOM 817 CB GLN A 76 -7.489 8.142 0.775 1.00 0.00 C ATOM 818 CG GLN A 76 -8.690 8.622 -0.030 1.00 0.00 C ATOM 819 CD GLN A 76 -9.385 9.811 0.605 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.033 10.962 0.340 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.383 9.549 1.433 1.00 0.00 N ATOM 0 H GLN A 76 -6.245 9.260 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.938 10.053 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.004 7.327 0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.837 7.736 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.364 8.891 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.402 7.804 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.644 8.582 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.891 10.314 1.877 1.00 0.00 H new ATOM 830 N ALA A 77 -4.144 8.558 1.341 1.00 0.00 N ATOM 831 CA ALA A 77 -2.993 8.012 2.059 1.00 0.00 C ATOM 832 C ALA A 77 -2.177 9.120 2.720 1.00 0.00 C ATOM 833 O ALA A 77 -0.951 9.034 2.819 1.00 0.00 O ATOM 834 CB ALA A 77 -2.123 7.202 1.108 1.00 0.00 C ATOM 0 H ALA A 77 -3.952 8.811 0.372 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.362 7.357 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.268 6.799 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.707 6.382 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.770 7.844 0.301 1.00 0.00 H new ATOM 840 N SER A 78 -2.877 10.149 3.181 1.00 0.00 N ATOM 841 CA SER A 78 -2.259 11.320 3.793 1.00 0.00 C ATOM 842 C SER A 78 -1.295 10.943 4.919 1.00 0.00 C ATOM 843 O SER A 78 -0.112 11.291 4.887 1.00 0.00 O ATOM 844 CB SER A 78 -3.357 12.226 4.349 1.00 0.00 C ATOM 845 OG SER A 78 -4.476 12.250 3.481 1.00 0.00 O ATOM 0 H SER A 78 -3.895 10.195 3.141 1.00 0.00 H new ATOM 0 HA SER A 78 -1.681 11.835 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.662 11.873 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.970 13.237 4.479 1.00 0.00 H new ATOM 0 HG SER A 78 -4.188 12.030 2.570 1.00 0.00 H new ATOM 851 N LYS A 79 -1.800 10.208 5.902 1.00 0.00 N ATOM 852 CA LYS A 79 -1.037 9.931 7.113 1.00 0.00 C ATOM 853 C LYS A 79 0.096 8.943 6.862 1.00 0.00 C ATOM 854 O LYS A 79 0.971 8.772 7.708 1.00 0.00 O ATOM 855 CB LYS A 79 -1.967 9.432 8.224 1.00 0.00 C ATOM 856 CG LYS A 79 -3.036 10.446 8.591 1.00 0.00 C ATOM 857 CD LYS A 79 -3.894 9.982 9.758 1.00 0.00 C ATOM 858 CE LYS A 79 -4.933 11.032 10.118 1.00 0.00 C ATOM 859 NZ LYS A 79 -5.774 10.622 11.274 1.00 0.00 N ATOM 0 H LYS A 79 -2.732 9.794 5.885 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.576 10.865 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.445 8.506 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.376 9.197 9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.562 11.394 8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.672 10.630 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.391 9.047 9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.261 9.779 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.431 11.971 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.572 11.218 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.771 10.840 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.669 9.600 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.471 11.139 12.124 1.00 0.00 H new ATOM 872 N VAL A 80 0.105 8.317 5.691 1.00 0.00 N ATOM 873 CA VAL A 80 1.206 7.440 5.325 1.00 0.00 C ATOM 874 C VAL A 80 2.427 8.276 4.965 1.00 0.00 C ATOM 875 O VAL A 80 3.487 8.134 5.571 1.00 0.00 O ATOM 876 CB VAL A 80 0.853 6.512 4.140 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.049 5.653 3.744 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.340 5.633 4.482 1.00 0.00 C ATOM 0 H VAL A 80 -0.629 8.400 4.988 1.00 0.00 H new ATOM 0 HA VAL A 80 1.417 6.807 6.187 1.00 0.00 H new ATOM 0 HB VAL A 80 0.588 7.141 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.774 5.009 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.878 6.297 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.352 5.038 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.571 4.988 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.103 5.019 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.202 6.261 4.706 1.00 0.00 H new ATOM 888 N CYS A 81 2.261 9.174 4.002 1.00 0.00 N ATOM 889 CA CYS A 81 3.352 10.032 3.566 1.00 0.00 C ATOM 890 C CYS A 81 3.784 10.967 4.687 1.00 0.00 C ATOM 891 O CYS A 81 4.974 11.240 4.857 1.00 0.00 O ATOM 892 CB CYS A 81 2.944 10.832 2.328 1.00 0.00 C ATOM 893 SG CYS A 81 2.586 9.797 0.873 1.00 0.00 S ATOM 0 H CYS A 81 1.381 9.326 3.509 1.00 0.00 H new ATOM 0 HA CYS A 81 4.200 9.399 3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.062 11.427 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.743 11.531 2.078 1.00 0.00 H new ATOM 898 N GLN A 82 2.818 11.433 5.468 1.00 0.00 N ATOM 899 CA GLN A 82 3.103 12.319 6.585 1.00 0.00 C ATOM 900 C GLN A 82 3.970 11.620 7.630 1.00 0.00 C ATOM 901 O GLN A 82 4.950 12.191 8.113 1.00 0.00 O ATOM 902 CB GLN A 82 1.799 12.813 7.215 1.00 0.00 C ATOM 903 CG GLN A 82 1.991 13.801 8.357 1.00 0.00 C ATOM 904 CD GLN A 82 2.672 15.094 7.933 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.513 15.116 7.035 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.303 16.182 8.576 1.00 0.00 N ATOM 0 H GLN A 82 1.830 11.211 5.347 1.00 0.00 H new ATOM 0 HA GLN A 82 3.658 13.178 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.191 13.283 6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.239 11.954 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.019 14.037 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.583 13.328 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.602 16.125 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.718 17.082 8.335 1.00 0.00 H new ATOM 915 N ARG A 83 3.635 10.377 7.956 1.00 0.00 N ATOM 916 CA ARG A 83 4.395 9.633 8.954 1.00 0.00 C ATOM 917 C ARG A 83 5.693 9.076 8.377 1.00 0.00 C ATOM 918 O ARG A 83 6.505 8.498 9.099 1.00 0.00 O ATOM 919 CB ARG A 83 3.550 8.514 9.570 1.00 0.00 C ATOM 920 CG ARG A 83 2.768 8.958 10.797 1.00 0.00 C ATOM 921 CD ARG A 83 3.707 9.250 11.958 1.00 0.00 C ATOM 922 NE ARG A 83 3.039 9.920 13.072 1.00 0.00 N ATOM 923 CZ ARG A 83 3.693 10.541 14.048 1.00 0.00 C ATOM 924 NH1 ARG A 83 5.015 10.622 14.011 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.039 11.122 15.041 1.00 0.00 N ATOM 0 H ARG A 83 2.851 9.867 7.549 1.00 0.00 H new ATOM 0 HA ARG A 83 4.661 10.334 9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.854 8.139 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.202 7.684 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.186 9.849 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.059 8.181 11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.143 8.315 12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.530 9.872 11.606 1.00 0.00 H new ATOM 0 HE ARG A 83 2.019 9.910 13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.530 10.208 13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.518 11.098 14.760 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.020 11.097 15.064 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.554 11.595 15.783 1.00 0.00 H new ATOM 938 N LEU A 84 5.883 9.241 7.076 1.00 0.00 N ATOM 939 CA LEU A 84 7.159 8.924 6.449 1.00 0.00 C ATOM 940 C LEU A 84 7.999 10.189 6.289 1.00 0.00 C ATOM 941 O LEU A 84 9.106 10.145 5.754 1.00 0.00 O ATOM 942 CB LEU A 84 6.945 8.257 5.089 1.00 0.00 C ATOM 943 CG LEU A 84 6.254 6.893 5.136 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.042 6.356 3.732 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.069 5.909 5.960 1.00 0.00 C ATOM 0 H LEU A 84 5.172 9.592 6.435 1.00 0.00 H new ATOM 0 HA LEU A 84 7.692 8.226 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.353 8.925 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.914 8.140 4.603 1.00 0.00 H new ATOM 0 HG LEU A 84 5.281 7.018 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.549 5.385 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.418 7.049 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.006 6.247 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.561 4.945 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.056 5.790 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.175 6.286 6.977 1.00 0.00 H new ATOM 957 N ASN A 85 7.453 11.309 6.775 1.00 0.00 N ATOM 958 CA ASN A 85 8.112 12.618 6.700 1.00 0.00 C ATOM 959 C ASN A 85 8.283 13.065 5.254 1.00 0.00 C ATOM 960 O ASN A 85 9.304 13.638 4.878 1.00 0.00 O ATOM 961 CB ASN A 85 9.464 12.605 7.420 1.00 0.00 C ATOM 962 CG ASN A 85 9.326 12.582 8.932 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.303 13.247 9.449 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 10.145 11.986 9.630 1.00 0.00 N flip ATOM 0 H ASN A 85 6.541 11.334 7.232 1.00 0.00 H new ATOM 0 HA ASN A 85 7.467 13.336 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.033 11.733 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.036 13.485 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.919 11.485 9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.050 11.992 10.646 1.00 0.00 H new ATOM 971 N CYS A 86 7.265 12.799 4.452 1.00 0.00 N ATOM 972 CA CYS A 86 7.255 13.212 3.063 1.00 0.00 C ATOM 973 C CYS A 86 6.099 14.173 2.815 1.00 0.00 C ATOM 974 O CYS A 86 5.359 14.517 3.741 1.00 0.00 O ATOM 975 CB CYS A 86 7.128 11.993 2.144 1.00 0.00 C ATOM 976 SG CYS A 86 8.495 10.798 2.288 1.00 0.00 S ATOM 0 H CYS A 86 6.429 12.294 4.745 1.00 0.00 H new ATOM 0 HA CYS A 86 8.195 13.719 2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.190 11.483 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.069 12.336 1.111 1.00 0.00 H new ATOM 981 N GLY A 87 5.956 14.617 1.577 1.00 0.00 N ATOM 982 CA GLY A 87 4.833 15.453 1.216 1.00 0.00 C ATOM 983 C GLY A 87 3.605 14.629 0.898 1.00 0.00 C ATOM 984 O GLY A 87 3.661 13.400 0.921 1.00 0.00 O ATOM 0 H GLY A 87 6.600 14.412 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.610 16.138 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.096 16.063 0.352 1.00 0.00 H new ATOM 988 N ASP A 88 2.510 15.303 0.574 1.00 0.00 N ATOM 989 CA ASP A 88 1.229 14.643 0.326 1.00 0.00 C ATOM 990 C ASP A 88 1.305 13.683 -0.860 1.00 0.00 C ATOM 991 O ASP A 88 2.086 13.885 -1.788 1.00 0.00 O ATOM 992 CB ASP A 88 0.126 15.689 0.108 1.00 0.00 C ATOM 993 CG ASP A 88 0.529 16.807 -0.827 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.339 17.668 -0.414 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.012 16.855 -1.959 1.00 0.00 O ATOM 0 H ASP A 88 2.481 16.318 0.475 1.00 0.00 H new ATOM 0 HA ASP A 88 0.985 14.050 1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.759 15.194 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.155 16.115 1.071 1.00 0.00 H new ATOM 1000 N PRO A 89 0.502 12.603 -0.813 1.00 0.00 N ATOM 1001 CA PRO A 89 0.516 11.539 -1.826 1.00 0.00 C ATOM 1002 C PRO A 89 0.219 12.050 -3.237 1.00 0.00 C ATOM 1003 O PRO A 89 -0.840 12.623 -3.503 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.570 10.565 -1.357 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.400 11.329 -0.384 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.481 12.329 0.248 1.00 0.00 C ATOM 0 HA PRO A 89 1.502 11.082 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.172 10.215 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.131 9.683 -0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.231 11.825 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.831 10.666 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.013 13.232 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.005 11.929 1.143 1.00 0.00 H new ATOM 1014 N LEU A 90 1.164 11.808 -4.136 1.00 0.00 N ATOM 1015 CA LEU A 90 1.104 12.326 -5.496 1.00 0.00 C ATOM 1016 C LEU A 90 0.619 11.248 -6.470 1.00 0.00 C ATOM 1017 O LEU A 90 -0.185 11.520 -7.363 1.00 0.00 O ATOM 1018 CB LEU A 90 2.502 12.818 -5.909 1.00 0.00 C ATOM 1019 CG LEU A 90 2.555 14.105 -6.745 1.00 0.00 C ATOM 1020 CD1 LEU A 90 1.880 13.913 -8.093 1.00 0.00 C ATOM 1021 CD2 LEU A 90 1.919 15.265 -5.991 1.00 0.00 C ATOM 0 H LEU A 90 1.994 11.247 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 90 0.395 13.154 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.090 12.974 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.990 12.024 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 90 3.604 14.342 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.933 14.841 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.386 13.120 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.836 13.640 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.968 16.166 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.877 15.030 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.456 15.430 -5.057 1.00 0.00 H new ATOM 1033 N SER A 91 1.114 10.027 -6.300 1.00 0.00 N ATOM 1034 CA SER A 91 0.782 8.935 -7.211 1.00 0.00 C ATOM 1035 C SER A 91 0.591 7.630 -6.443 1.00 0.00 C ATOM 1036 O SER A 91 1.091 7.481 -5.327 1.00 0.00 O ATOM 1037 CB SER A 91 1.892 8.762 -8.251 1.00 0.00 C ATOM 1038 OG SER A 91 2.256 10.006 -8.831 1.00 0.00 O ATOM 0 H SER A 91 1.745 9.768 -5.542 1.00 0.00 H new ATOM 0 HA SER A 91 -0.151 9.184 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.765 8.308 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.558 8.078 -9.032 1.00 0.00 H new ATOM 0 HG SER A 91 2.968 9.864 -9.490 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.117 6.686 -7.052 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.397 5.398 -6.428 1.00 0.00 C ATOM 1046 C LEU A 92 -0.605 4.349 -7.525 1.00 0.00 C ATOM 1047 O LEU A 92 -0.606 4.684 -8.709 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.653 5.513 -5.544 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.986 4.297 -4.672 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.027 4.193 -3.494 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.425 4.369 -4.176 1.00 0.00 C ATOM 0 H LEU A 92 -0.511 6.790 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 92 0.441 5.097 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.534 6.379 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.508 5.715 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.873 3.403 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.285 3.322 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.007 4.090 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.102 5.093 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.641 3.497 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.561 5.275 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.103 4.387 -5.029 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.753 3.090 -7.144 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.076 2.063 -8.121 1.00 0.00 C ATOM 1065 C GLY A 93 -0.049 0.951 -8.161 1.00 0.00 C ATOM 1066 O GLY A 93 0.569 0.652 -7.147 1.00 0.00 O ATOM 0 H GLY A 93 -0.657 2.759 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.054 1.641 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.152 2.518 -9.109 1.00 0.00 H new ATOM 1070 N PRO A 94 0.146 0.311 -9.319 1.00 0.00 N ATOM 1071 CA PRO A 94 1.119 -0.763 -9.475 1.00 0.00 C ATOM 1072 C PRO A 94 2.520 -0.229 -9.778 1.00 0.00 C ATOM 1073 O PRO A 94 2.812 0.174 -10.905 1.00 0.00 O ATOM 1074 CB PRO A 94 0.562 -1.551 -10.658 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.174 -0.551 -11.489 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.571 0.587 -10.577 1.00 0.00 C ATOM 0 HA PRO A 94 1.241 -1.358 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.363 -2.023 -11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.102 -2.348 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.455 -0.190 -12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.055 -1.004 -11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.283 1.551 -10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.650 0.615 -10.422 1.00 0.00 H new ATOM 1084 N PHE A 95 3.389 -0.237 -8.776 1.00 0.00 N ATOM 1085 CA PHE A 95 4.710 0.368 -8.920 1.00 0.00 C ATOM 1086 C PHE A 95 5.697 -0.591 -9.578 1.00 0.00 C ATOM 1087 O PHE A 95 6.385 -0.222 -10.531 1.00 0.00 O ATOM 1088 CB PHE A 95 5.250 0.831 -7.561 1.00 0.00 C ATOM 1089 CG PHE A 95 6.463 1.713 -7.663 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.336 3.036 -8.054 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.727 1.222 -7.369 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.444 3.853 -8.152 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.839 2.036 -7.465 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.696 3.354 -7.857 1.00 0.00 C ATOM 0 H PHE A 95 3.207 -0.651 -7.862 1.00 0.00 H new ATOM 0 HA PHE A 95 4.599 1.237 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.464 1.369 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.497 -0.044 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.358 3.433 -8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.843 0.193 -7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.331 4.882 -8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.818 1.643 -7.234 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.564 3.993 -7.932 1.00 0.00 H new ATOM 1104 N LEU A 96 5.761 -1.821 -9.083 1.00 0.00 N ATOM 1105 CA LEU A 96 6.721 -2.798 -9.590 1.00 0.00 C ATOM 1106 C LEU A 96 6.092 -4.178 -9.707 1.00 0.00 C ATOM 1107 O LEU A 96 5.145 -4.508 -8.988 1.00 0.00 O ATOM 1108 CB LEU A 96 7.957 -2.871 -8.685 1.00 0.00 C ATOM 1109 CG LEU A 96 8.893 -1.657 -8.748 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.028 -1.804 -7.745 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.451 -1.489 -10.154 1.00 0.00 C ATOM 0 H LEU A 96 5.162 -2.167 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 96 7.027 -2.468 -10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.625 -2.999 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.527 -3.762 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 96 8.318 -0.767 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.681 -0.933 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.617 -1.881 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.600 -2.703 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.113 -0.623 -10.182 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.010 -2.382 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.630 -1.341 -10.856 1.00 0.00 H new ATOM 1123 N LYS A 97 6.627 -4.984 -10.612 1.00 0.00 N ATOM 1124 CA LYS A 97 6.141 -6.341 -10.810 1.00 0.00 C ATOM 1125 C LYS A 97 7.027 -7.328 -10.059 1.00 0.00 C ATOM 1126 O LYS A 97 7.734 -8.125 -10.670 1.00 0.00 O ATOM 1127 CB LYS A 97 6.110 -6.718 -12.300 1.00 0.00 C ATOM 1128 CG LYS A 97 5.260 -5.807 -13.182 1.00 0.00 C ATOM 1129 CD LYS A 97 6.004 -4.539 -13.577 1.00 0.00 C ATOM 1130 CE LYS A 97 5.173 -3.676 -14.512 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.882 -2.426 -14.892 1.00 0.00 N ATOM 0 H LYS A 97 7.400 -4.720 -11.223 1.00 0.00 H new ATOM 0 HA LYS A 97 5.123 -6.386 -10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.131 -6.716 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.737 -7.738 -12.393 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.962 -6.347 -14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.345 -5.541 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.256 -3.970 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.944 -4.803 -14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.931 -4.244 -15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.228 -3.425 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.281 -1.866 -15.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.090 -1.871 -14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.772 -2.665 -15.375 1.00 0.00 H new ATOM 1144 N THR A 98 6.996 -7.257 -8.733 1.00 0.00 N ATOM 1145 CA THR A 98 7.776 -8.162 -7.896 1.00 0.00 C ATOM 1146 C THR A 98 7.415 -9.615 -8.192 1.00 0.00 C ATOM 1147 O THR A 98 8.292 -10.480 -8.203 1.00 0.00 O ATOM 1148 CB THR A 98 7.540 -7.860 -6.404 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.779 -6.473 -6.162 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.450 -8.693 -5.511 1.00 0.00 C ATOM 0 H THR A 98 6.438 -6.580 -8.213 1.00 0.00 H new ATOM 0 HA THR A 98 8.830 -8.007 -8.125 1.00 0.00 H new ATOM 0 HB THR A 98 6.508 -8.117 -6.165 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.492 -6.375 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.254 -8.452 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.257 -9.752 -5.682 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.491 -8.472 -5.745 1.00 0.00 H new ATOM 1158 N TYR A 99 6.137 -9.867 -8.461 1.00 0.00 N ATOM 1159 CA TYR A 99 5.686 -11.190 -8.893 1.00 0.00 C ATOM 1160 C TYR A 99 6.106 -12.260 -7.881 1.00 0.00 C ATOM 1161 O TYR A 99 6.772 -13.238 -8.227 1.00 0.00 O ATOM 1162 CB TYR A 99 6.273 -11.496 -10.274 1.00 0.00 C ATOM 1163 CG TYR A 99 5.361 -12.290 -11.181 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.313 -11.669 -11.849 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.553 -13.649 -11.384 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.484 -12.380 -12.690 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.728 -14.368 -12.229 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.695 -13.727 -12.880 1.00 0.00 C ATOM 1169 OH TYR A 99 2.871 -14.434 -13.727 1.00 0.00 O ATOM 0 H TYR A 99 5.393 -9.173 -8.388 1.00 0.00 H new ATOM 0 HA TYR A 99 4.598 -11.197 -8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.524 -10.556 -10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.205 -12.046 -10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.145 -10.612 -11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.360 -14.153 -10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.672 -11.882 -13.198 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.892 -15.425 -12.378 1.00 0.00 H new ATOM 0 HH TYR A 99 2.060 -14.703 -13.246 1.00 0.00 H new ATOM 1179 N THR A 100 5.737 -12.047 -6.625 1.00 0.00 N ATOM 1180 CA THR A 100 6.110 -12.954 -5.547 1.00 0.00 C ATOM 1181 C THR A 100 4.988 -13.046 -4.511 1.00 0.00 C ATOM 1182 O THR A 100 4.968 -12.303 -3.526 1.00 0.00 O ATOM 1183 CB THR A 100 7.414 -12.488 -4.860 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.437 -12.296 -5.845 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.890 -13.505 -3.831 1.00 0.00 C ATOM 0 H THR A 100 5.176 -11.249 -6.326 1.00 0.00 H new ATOM 0 HA THR A 100 6.276 -13.939 -5.983 1.00 0.00 H new ATOM 0 HB THR A 100 7.208 -11.549 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.262 -11.999 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.809 -13.149 -3.365 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.123 -13.636 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.079 -14.459 -4.323 1.00 0.00 H new ATOM 1193 N PRO A 101 4.029 -13.958 -4.727 1.00 0.00 N ATOM 1194 CA PRO A 101 2.887 -14.145 -3.831 1.00 0.00 C ATOM 1195 C PRO A 101 3.251 -14.974 -2.602 1.00 0.00 C ATOM 1196 O PRO A 101 2.666 -16.028 -2.347 1.00 0.00 O ATOM 1197 CB PRO A 101 1.857 -14.891 -4.698 1.00 0.00 C ATOM 1198 CG PRO A 101 2.486 -15.056 -6.049 1.00 0.00 C ATOM 1199 CD PRO A 101 3.965 -14.885 -5.858 1.00 0.00 C ATOM 0 HA PRO A 101 2.519 -13.196 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.611 -15.860 -4.263 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.927 -14.327 -4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.260 -16.038 -6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.098 -14.317 -6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.458 -15.831 -5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.445 -14.476 -6.747 1.00 0.00 H new ATOM 1207 N GLN A 102 4.235 -14.500 -1.851 1.00 0.00 N ATOM 1208 CA GLN A 102 4.696 -15.210 -0.663 1.00 0.00 C ATOM 1209 C GLN A 102 4.449 -14.382 0.592 1.00 0.00 C ATOM 1210 O GLN A 102 4.296 -14.925 1.685 1.00 0.00 O ATOM 1211 CB GLN A 102 6.189 -15.544 -0.770 1.00 0.00 C ATOM 1212 CG GLN A 102 6.573 -16.291 -2.041 1.00 0.00 C ATOM 1213 CD GLN A 102 5.793 -17.578 -2.242 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.393 -18.237 -1.284 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.580 -17.942 -3.497 1.00 0.00 N ATOM 0 H GLN A 102 4.730 -13.629 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 102 4.130 -16.139 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.761 -14.618 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.478 -16.145 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.412 -15.639 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.638 -16.521 -2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.930 -17.365 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.066 -18.800 -3.699 1.00 0.00 H new ATOM 1224 N SER A 103 4.417 -13.065 0.427 1.00 0.00 N ATOM 1225 CA SER A 103 4.229 -12.157 1.552 1.00 0.00 C ATOM 1226 C SER A 103 3.296 -11.010 1.162 1.00 0.00 C ATOM 1227 O SER A 103 3.300 -9.945 1.784 1.00 0.00 O ATOM 1228 CB SER A 103 5.583 -11.598 2.001 1.00 0.00 C ATOM 1229 OG SER A 103 6.543 -12.634 2.143 1.00 0.00 O ATOM 0 H SER A 103 4.519 -12.602 -0.476 1.00 0.00 H new ATOM 0 HA SER A 103 3.777 -12.710 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.937 -10.867 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.467 -11.073 2.949 1.00 0.00 H new ATOM 0 HG SER A 103 7.398 -12.250 2.429 1.00 0.00 H new ATOM 1235 N SER A 104 2.491 -11.239 0.134 1.00 0.00 N ATOM 1236 CA SER A 104 1.606 -10.209 -0.387 1.00 0.00 C ATOM 1237 C SER A 104 0.168 -10.422 0.093 1.00 0.00 C ATOM 1238 O SER A 104 -0.295 -11.557 0.228 1.00 0.00 O ATOM 1239 CB SER A 104 1.672 -10.211 -1.917 1.00 0.00 C ATOM 1240 OG SER A 104 1.574 -11.534 -2.424 1.00 0.00 O ATOM 0 H SER A 104 2.433 -12.132 -0.356 1.00 0.00 H new ATOM 0 HA SER A 104 1.935 -9.239 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.864 -9.601 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.608 -9.759 -2.246 1.00 0.00 H new ATOM 0 HG SER A 104 1.488 -11.505 -3.400 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.532 -9.326 0.362 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.917 -9.389 0.800 1.00 0.00 C ATOM 1248 C ILE A 105 -2.809 -8.568 -0.121 1.00 0.00 C ATOM 1249 O ILE A 105 -2.347 -7.648 -0.800 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.106 -8.883 2.253 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.656 -7.423 2.383 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.363 -9.774 3.243 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.914 -6.814 3.747 1.00 0.00 C ATOM 0 H ILE A 105 -0.159 -8.380 0.283 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.200 -10.441 0.764 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.168 -8.932 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.590 -7.362 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.169 -6.827 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.512 -9.397 4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.746 -10.792 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.299 -9.771 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.567 -5.781 3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.983 -6.840 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.378 -7.383 4.507 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.081 -8.917 -0.149 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.069 -8.143 -0.874 1.00 0.00 C ATOM 1267 C ILE A 106 -6.206 -7.791 0.086 1.00 0.00 C ATOM 1268 O ILE A 106 -6.666 -8.637 0.856 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.606 -8.899 -2.123 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.429 -7.959 -3.006 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.433 -10.115 -1.721 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -7.009 -8.627 -4.237 1.00 0.00 C ATOM 0 H ILE A 106 -4.456 -9.738 0.326 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.600 -7.233 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.748 -9.252 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.243 -7.540 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.800 -7.126 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.794 -10.622 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.815 -10.800 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.283 -9.794 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.579 -7.897 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.200 -9.022 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.666 -9.442 -3.933 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.618 -6.540 0.085 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.609 -6.075 1.044 1.00 0.00 C ATOM 1286 C CYS A 107 -8.961 -5.853 0.383 1.00 0.00 C ATOM 1287 O CYS A 107 -9.038 -5.541 -0.803 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.125 -4.792 1.717 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.611 -5.017 2.706 1.00 0.00 S ATOM 0 H CYS A 107 -6.286 -5.827 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.736 -6.848 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.941 -4.037 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.916 -4.408 2.361 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.022 -6.030 1.157 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.376 -5.814 0.677 1.00 0.00 C ATOM 1296 C TYR A 108 -12.088 -4.810 1.576 1.00 0.00 C ATOM 1297 O TYR A 108 -11.625 -4.526 2.681 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.163 -7.130 0.662 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.629 -8.179 -0.294 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.891 -8.104 -1.658 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.885 -9.259 0.172 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.430 -9.074 -2.528 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.416 -10.228 -0.695 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.692 -10.132 -2.043 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.237 -11.107 -2.906 1.00 0.00 O ATOM 0 H TYR A 108 -9.967 -6.326 2.131 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.322 -5.425 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.168 -7.546 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.199 -6.915 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.464 -7.274 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.671 -9.341 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.647 -9.003 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.836 -11.057 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.733 -11.780 -2.403 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.202 -4.269 1.100 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.999 -3.385 1.922 1.00 0.00 C ATOM 1317 C GLY A 109 -13.845 -1.929 1.542 1.00 0.00 C ATOM 1318 O GLY A 109 -14.024 -1.557 0.380 1.00 0.00 O ATOM 0 H GLY A 109 -13.566 -4.427 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.048 -3.668 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.716 -3.515 2.967 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.498 -1.108 2.522 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.413 0.334 2.329 1.00 0.00 C ATOM 1324 C GLN A 110 -11.975 0.766 2.073 1.00 0.00 C ATOM 1325 O GLN A 110 -11.055 0.336 2.773 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.962 1.060 3.558 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.446 0.823 3.793 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.311 1.415 2.698 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.607 0.762 1.698 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.719 2.660 2.881 1.00 0.00 N ATOM 0 H GLN A 110 -13.269 -1.418 3.466 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.011 0.597 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.407 0.737 4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.787 2.130 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.633 -0.249 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.732 1.256 4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.451 3.166 3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.302 3.114 2.178 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.798 1.618 1.068 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.487 2.135 0.694 1.00 0.00 C ATOM 1341 C LEU A 111 -9.822 2.834 1.873 1.00 0.00 C ATOM 1342 O LEU A 111 -10.289 3.873 2.339 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.625 3.105 -0.489 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.344 3.840 -0.907 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.300 2.868 -1.440 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.663 4.900 -1.950 1.00 0.00 C ATOM 0 H LEU A 111 -12.561 1.970 0.489 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.857 1.296 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.998 2.548 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.382 3.848 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.929 4.326 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.404 3.418 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.048 2.144 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.700 2.345 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.746 5.414 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.104 4.426 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.367 5.620 -1.533 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.732 2.254 2.352 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.029 2.822 3.480 1.00 0.00 C ATOM 1360 C GLY A 112 -8.078 1.923 4.693 1.00 0.00 C ATOM 1361 O GLY A 112 -7.317 2.107 5.646 1.00 0.00 O ATOM 0 H GLY A 112 -8.322 1.398 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.990 3.002 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.466 3.789 3.729 1.00 0.00 H new ATOM 1365 N SER A 113 -8.976 0.951 4.663 1.00 0.00 N ATOM 1366 CA SER A 113 -9.111 0.016 5.758 1.00 0.00 C ATOM 1367 C SER A 113 -8.352 -1.270 5.455 1.00 0.00 C ATOM 1368 O SER A 113 -8.487 -1.849 4.375 1.00 0.00 O ATOM 1369 CB SER A 113 -10.588 -0.288 6.021 1.00 0.00 C ATOM 1370 OG SER A 113 -10.761 -0.971 7.252 1.00 0.00 O ATOM 0 H SER A 113 -9.621 0.793 3.889 1.00 0.00 H new ATOM 0 HA SER A 113 -8.685 0.468 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.156 0.642 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.988 -0.893 5.207 1.00 0.00 H new ATOM 0 HG SER A 113 -11.714 -1.151 7.395 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.548 -1.696 6.412 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.792 -2.934 6.306 1.00 0.00 C ATOM 1378 C PHE A 114 -7.296 -3.920 7.350 1.00 0.00 C ATOM 1379 O PHE A 114 -6.582 -4.828 7.768 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.296 -2.676 6.516 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.665 -1.815 5.456 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.732 -0.432 5.538 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.001 -2.386 4.382 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.150 0.364 4.571 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.417 -1.595 3.412 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.492 -0.218 3.507 1.00 0.00 C ATOM 0 H PHE A 114 -7.399 -1.193 7.287 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.932 -3.348 5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.153 -2.201 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.775 -3.633 6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.246 0.028 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.939 -3.461 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.210 1.440 4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.902 -2.052 2.580 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.036 0.402 2.749 1.00 0.00 H new ATOM 1396 N SER A 115 -8.534 -3.718 7.777 1.00 0.00 N ATOM 1397 CA SER A 115 -9.130 -4.553 8.808 1.00 0.00 C ATOM 1398 C SER A 115 -9.705 -5.832 8.202 1.00 0.00 C ATOM 1399 O SER A 115 -10.000 -6.794 8.914 1.00 0.00 O ATOM 1400 CB SER A 115 -10.217 -3.770 9.549 1.00 0.00 C ATOM 1401 OG SER A 115 -9.706 -2.536 10.037 1.00 0.00 O ATOM 0 H SER A 115 -9.146 -2.982 7.424 1.00 0.00 H new ATOM 0 HA SER A 115 -8.355 -4.837 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.056 -3.582 8.880 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.598 -4.365 10.379 1.00 0.00 H new ATOM 0 HG SER A 115 -9.036 -2.711 10.731 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.849 -5.841 6.881 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.359 -7.004 6.165 1.00 0.00 C ATOM 1409 C ASN A 116 -9.474 -7.319 4.964 1.00 0.00 C ATOM 1410 O ASN A 116 -9.799 -6.976 3.826 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.809 -6.785 5.709 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.825 -6.960 6.827 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.532 -7.851 7.763 1.00 0.00 O flip ATOM 1414 ND2 ASN A 116 -13.870 -6.308 6.843 1.00 0.00 N flip ATOM 0 H ASN A 116 -9.618 -5.049 6.281 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.343 -7.851 6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.904 -5.781 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.039 -7.485 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -14.060 -5.631 6.104 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -14.545 -6.445 7.595 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.348 -7.962 5.225 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.420 -8.328 4.166 1.00 0.00 C ATOM 1423 C CYS A 117 -7.157 -9.826 4.198 1.00 0.00 C ATOM 1424 O CYS A 117 -7.371 -10.479 5.218 1.00 0.00 O ATOM 1425 CB CYS A 117 -6.102 -7.559 4.314 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.301 -5.753 4.468 1.00 0.00 S ATOM 0 H CYS A 117 -8.054 -8.242 6.161 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.868 -8.065 3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.574 -7.931 5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.472 -7.771 3.450 1.00 0.00 H new ATOM 1431 N SER A 118 -6.708 -10.364 3.078 1.00 0.00 N ATOM 1432 CA SER A 118 -6.409 -11.782 2.973 1.00 0.00 C ATOM 1433 C SER A 118 -5.068 -11.974 2.271 1.00 0.00 C ATOM 1434 O SER A 118 -4.690 -11.179 1.407 1.00 0.00 O ATOM 1435 CB SER A 118 -7.526 -12.492 2.196 1.00 0.00 C ATOM 1436 OG SER A 118 -7.316 -13.894 2.143 1.00 0.00 O ATOM 0 H SER A 118 -6.541 -9.836 2.222 1.00 0.00 H new ATOM 0 HA SER A 118 -6.348 -12.215 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.486 -12.285 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.576 -12.093 1.183 1.00 0.00 H new ATOM 0 HG SER A 118 -8.046 -14.315 1.643 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.340 -13.010 2.673 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.070 -13.351 2.047 1.00 0.00 C ATOM 1444 C HIS A 119 -3.303 -13.724 0.591 1.00 0.00 C ATOM 1445 O HIS A 119 -3.982 -14.708 0.298 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.403 -14.510 2.795 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.988 -14.760 2.376 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.507 -16.005 2.037 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.056 -13.909 2.252 1.00 0.00 C ATOM 1450 CE1 HIS A 119 0.771 -15.910 1.722 1.00 0.00 C ATOM 1451 NE2 HIS A 119 1.136 -14.647 1.845 1.00 0.00 N ATOM 0 H HIS A 119 -4.611 -13.631 3.435 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.406 -12.487 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.425 -14.301 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.986 -15.417 2.636 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.053 -16.866 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.041 -12.845 2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.409 -16.726 1.416 1.00 0.00 H new ATOM 1459 N SER A 120 -2.739 -12.942 -0.315 1.00 0.00 N ATOM 1460 CA SER A 120 -2.994 -13.119 -1.730 1.00 0.00 C ATOM 1461 C SER A 120 -2.175 -14.279 -2.270 1.00 0.00 C ATOM 1462 O SER A 120 -0.948 -14.208 -2.340 1.00 0.00 O ATOM 1463 CB SER A 120 -2.669 -11.842 -2.502 1.00 0.00 C ATOM 1464 OG SER A 120 -3.129 -11.929 -3.840 1.00 0.00 O ATOM 0 H SER A 120 -2.101 -12.178 -0.092 1.00 0.00 H new ATOM 0 HA SER A 120 -4.053 -13.341 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.131 -10.987 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.592 -11.671 -2.494 1.00 0.00 H new ATOM 0 HG SER A 120 -2.943 -11.087 -4.305 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.860 -15.346 -2.638 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.202 -16.517 -3.188 1.00 0.00 C ATOM 1472 C ARG A 121 -2.441 -16.574 -4.688 1.00 0.00 C ATOM 1473 O ARG A 121 -2.849 -17.600 -5.234 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.711 -17.786 -2.504 1.00 0.00 C ATOM 1475 CG ARG A 121 -2.655 -17.714 -0.986 1.00 0.00 C ATOM 1476 CD ARG A 121 -2.959 -19.057 -0.351 1.00 0.00 C ATOM 1477 NE ARG A 121 -1.917 -20.040 -0.641 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.757 -21.167 0.040 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -2.599 -21.476 1.013 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.768 -21.994 -0.259 1.00 0.00 N ATOM 0 H ARG A 121 -3.874 -15.426 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.130 -16.448 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.739 -17.970 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.118 -18.636 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.666 -17.379 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.370 -16.972 -0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.055 -18.936 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.918 -19.424 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.276 -19.848 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.370 -20.848 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.477 -22.342 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.124 -21.766 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.650 -22.859 0.268 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.200 -15.448 -5.344 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.409 -15.329 -6.776 1.00 0.00 C ATOM 1495 C ASN A 122 -1.217 -14.643 -7.422 1.00 0.00 C ATOM 1496 O ASN A 122 -0.730 -13.625 -6.929 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.684 -14.532 -7.085 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.942 -15.192 -6.552 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.557 -16.022 -7.221 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.344 -14.813 -5.348 1.00 0.00 N ATOM 0 H ASN A 122 -1.856 -14.597 -4.900 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.520 -16.334 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.595 -13.534 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.775 -14.408 -8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.191 -15.212 -4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.806 -14.122 -4.825 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.751 -15.205 -8.529 1.00 0.00 N ATOM 1508 CA ASP A 123 0.367 -14.638 -9.272 1.00 0.00 C ATOM 1509 C ASP A 123 -0.071 -13.381 -10.016 1.00 0.00 C ATOM 1510 O ASP A 123 0.758 -12.567 -10.427 1.00 0.00 O ATOM 1511 CB ASP A 123 0.939 -15.660 -10.262 1.00 0.00 C ATOM 1512 CG ASP A 123 -0.052 -16.048 -11.344 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -0.923 -16.907 -11.077 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.040 -15.504 -12.464 1.00 0.00 O ATOM 0 H ASP A 123 -1.133 -16.059 -8.935 1.00 0.00 H new ATOM 0 HA ASP A 123 1.147 -14.373 -8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.834 -15.247 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.245 -16.554 -9.718 1.00 0.00 H new ATOM 1519 N MET A 124 -1.382 -13.226 -10.169 1.00 0.00 N ATOM 1520 CA MET A 124 -1.953 -12.047 -10.814 1.00 0.00 C ATOM 1521 C MET A 124 -2.049 -10.900 -9.813 1.00 0.00 C ATOM 1522 O MET A 124 -3.101 -10.281 -9.652 1.00 0.00 O ATOM 1523 CB MET A 124 -3.349 -12.354 -11.375 1.00 0.00 C ATOM 1524 CG MET A 124 -3.384 -13.494 -12.383 1.00 0.00 C ATOM 1525 SD MET A 124 -5.052 -13.848 -12.981 1.00 0.00 S ATOM 1526 CE MET A 124 -5.900 -14.175 -11.437 1.00 0.00 C ATOM 0 H MET A 124 -2.073 -13.906 -9.853 1.00 0.00 H new ATOM 0 HA MET A 124 -1.300 -11.760 -11.638 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.015 -12.597 -10.547 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.743 -11.455 -11.848 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.745 -13.244 -13.230 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.969 -14.392 -11.924 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.782 -14.786 -11.629 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.231 -14.706 -10.760 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.204 -13.232 -10.982 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.948 -10.628 -9.136 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.924 -9.596 -8.115 1.00 0.00 C ATOM 1538 C CYS A 125 0.152 -8.568 -8.427 1.00 0.00 C ATOM 1539 O CYS A 125 1.337 -8.899 -8.515 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.676 -10.216 -6.736 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.891 -9.728 -5.466 1.00 0.00 S ATOM 0 H CYS A 125 -0.058 -11.107 -9.275 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.893 -9.097 -8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.684 -11.302 -6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.321 -9.933 -6.397 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.269 -7.330 -8.621 1.00 0.00 N ATOM 1547 CA HIS A 126 0.655 -6.230 -8.835 1.00 0.00 C ATOM 1548 C HIS A 126 0.826 -5.453 -7.537 1.00 0.00 C ATOM 1549 O HIS A 126 -0.156 -5.087 -6.893 1.00 0.00 O ATOM 1550 CB HIS A 126 0.158 -5.307 -9.952 1.00 0.00 C ATOM 1551 CG HIS A 126 0.406 -5.838 -11.332 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.449 -6.709 -11.971 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.424 -5.611 -12.197 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.030 -6.996 -13.168 1.00 0.00 C ATOM 1555 NE2 HIS A 126 1.166 -6.341 -13.331 1.00 0.00 N ATOM 0 H HIS A 126 -1.253 -7.060 -8.635 1.00 0.00 H new ATOM 0 HA HIS A 126 1.619 -6.634 -9.143 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.912 -5.140 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.646 -4.337 -9.853 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.279 -4.974 -12.026 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.429 -7.654 -13.891 1.00 0.00 H new ATOM 0 HE2 HIS A 126 1.755 -6.373 -14.163 1.00 0.00 H new ATOM 1563 N SER A 127 2.072 -5.219 -7.155 1.00 0.00 N ATOM 1564 CA SER A 127 2.381 -4.595 -5.876 1.00 0.00 C ATOM 1565 C SER A 127 2.038 -3.110 -5.879 1.00 0.00 C ATOM 1566 O SER A 127 2.356 -2.387 -6.829 1.00 0.00 O ATOM 1567 CB SER A 127 3.858 -4.787 -5.561 1.00 0.00 C ATOM 1568 OG SER A 127 4.221 -6.152 -5.676 1.00 0.00 O ATOM 0 H SER A 127 2.891 -5.453 -7.716 1.00 0.00 H new ATOM 0 HA SER A 127 1.773 -5.074 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.461 -4.186 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.069 -4.433 -4.552 1.00 0.00 H new ATOM 0 HG SER A 127 5.195 -6.239 -5.605 1.00 0.00 H new ATOM 1574 N LEU A 128 1.401 -2.670 -4.803 1.00 0.00 N ATOM 1575 CA LEU A 128 0.986 -1.286 -4.656 1.00 0.00 C ATOM 1576 C LEU A 128 2.189 -0.389 -4.382 1.00 0.00 C ATOM 1577 O LEU A 128 2.976 -0.640 -3.465 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.026 -1.162 -3.514 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.612 0.234 -3.287 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.490 0.654 -4.459 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.407 0.270 -1.992 1.00 0.00 C ATOM 0 H LEU A 128 1.159 -3.263 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 128 0.519 -0.965 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.847 -1.853 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.455 -1.487 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 128 0.215 0.941 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -1.894 1.649 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.895 0.669 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.310 -0.055 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.817 1.269 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.221 -0.453 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.753 0.019 -1.157 1.00 0.00 H new ATOM 1593 N GLY A 129 2.322 0.642 -5.193 1.00 0.00 N ATOM 1594 CA GLY A 129 3.377 1.604 -5.012 1.00 0.00 C ATOM 1595 C GLY A 129 2.820 2.966 -4.697 1.00 0.00 C ATOM 1596 O GLY A 129 1.747 3.331 -5.183 1.00 0.00 O ATOM 0 H GLY A 129 1.707 0.830 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.034 1.281 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.985 1.656 -5.915 1.00 0.00 H new ATOM 1600 N LEU A 130 3.536 3.717 -3.886 1.00 0.00 N ATOM 1601 CA LEU A 130 3.082 5.030 -3.485 1.00 0.00 C ATOM 1602 C LEU A 130 4.164 6.065 -3.755 1.00 0.00 C ATOM 1603 O LEU A 130 5.332 5.859 -3.418 1.00 0.00 O ATOM 1604 CB LEU A 130 2.709 5.025 -2.000 1.00 0.00 C ATOM 1605 CG LEU A 130 2.214 6.361 -1.436 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.906 6.783 -2.095 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.048 6.259 0.071 1.00 0.00 C ATOM 0 H LEU A 130 4.435 3.439 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 130 2.198 5.291 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.934 4.275 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.580 4.710 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 130 2.958 7.126 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.578 7.734 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.058 6.893 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.145 6.024 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.696 7.213 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.322 5.480 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.007 6.011 0.527 1.00 0.00 H new ATOM 1619 N THR A 131 3.776 7.153 -4.395 1.00 0.00 N ATOM 1620 CA THR A 131 4.674 8.272 -4.612 1.00 0.00 C ATOM 1621 C THR A 131 4.190 9.478 -3.827 1.00 0.00 C ATOM 1622 O THR A 131 3.162 10.065 -4.156 1.00 0.00 O ATOM 1623 CB THR A 131 4.763 8.654 -6.103 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.115 7.506 -6.885 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.790 9.759 -6.325 1.00 0.00 C ATOM 0 H THR A 131 2.839 7.285 -4.776 1.00 0.00 H new ATOM 0 HA THR A 131 5.664 7.967 -4.274 1.00 0.00 H new ATOM 0 HB THR A 131 3.786 9.022 -6.416 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.167 7.758 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.832 10.009 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.503 10.643 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.770 9.417 -5.994 1.00 0.00 H new ATOM 1633 N CYS A 132 4.911 9.826 -2.781 1.00 0.00 N ATOM 1634 CA CYS A 132 4.596 11.010 -2.000 1.00 0.00 C ATOM 1635 C CYS A 132 5.278 12.214 -2.637 1.00 0.00 C ATOM 1636 O CYS A 132 6.238 12.046 -3.389 1.00 0.00 O ATOM 1637 CB CYS A 132 5.056 10.815 -0.553 1.00 0.00 C ATOM 1638 SG CYS A 132 4.431 9.281 0.204 1.00 0.00 S ATOM 0 H CYS A 132 5.723 9.305 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 132 3.519 11.179 -1.988 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.146 10.808 -0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.726 11.666 0.043 1.00 0.00 H new ATOM 1643 N LEU A 133 4.763 13.411 -2.367 1.00 0.00 N ATOM 1644 CA LEU A 133 5.279 14.635 -2.975 1.00 0.00 C ATOM 1645 C LEU A 133 6.748 14.849 -2.605 1.00 0.00 C ATOM 1646 O LEU A 133 7.068 15.414 -1.552 1.00 0.00 O ATOM 1647 CB LEU A 133 4.432 15.833 -2.531 1.00 0.00 C ATOM 1648 CG LEU A 133 4.358 17.003 -3.516 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.263 17.968 -3.098 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.688 17.734 -3.598 1.00 0.00 C ATOM 0 H LEU A 133 3.983 13.560 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 133 5.217 14.539 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 133 3.418 15.484 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 133 4.829 16.204 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 133 4.127 16.601 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.219 18.796 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.305 17.448 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.478 18.353 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.606 18.560 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.951 18.123 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.462 17.044 -3.934 1.00 0.00 H new ATOM 1662 N GLU A 134 7.624 14.378 -3.479 1.00 0.00 N ATOM 1663 CA GLU A 134 9.059 14.501 -3.312 1.00 0.00 C ATOM 1664 C GLU A 134 9.726 14.289 -4.666 1.00 0.00 C ATOM 1665 O GLU A 134 9.977 13.125 -5.037 1.00 0.00 O ATOM 1666 CB GLU A 134 9.569 13.476 -2.294 1.00 0.00 C ATOM 1667 CG GLU A 134 11.069 13.536 -2.044 1.00 0.00 C ATOM 1668 CD GLU A 134 11.507 14.810 -1.351 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.524 14.835 -0.102 1.00 0.00 O ATOM 1670 OE2 GLU A 134 11.863 15.783 -2.052 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.960 15.292 -5.372 1.00 0.00 O ATOM 0 H GLU A 134 7.352 13.894 -4.335 1.00 0.00 H new ATOM 0 HA GLU A 134 9.303 15.494 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.048 13.630 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.310 12.476 -2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.364 12.680 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.593 13.449 -2.996 1.00 0.00 H new