USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 482 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 NoAdj-H: A 925 HIS HE2 : A 925 HIS NE2 : A1085 ZNZN :(H bumps) USER MOD Set 1.1: A 911 MET CE :methyl -179:sc= -1.74! (180deg=-1.75!) USER MOD Set 1.2: A 927 ASN :FLIP amide:sc= 0.162 F(o=-3.2!,f=-1.6) USER MOD Single : A 886 SER OG : rot 180:sc= 0 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 889 SER OG : rot -160:sc= 0 USER MOD Single : A 890 SER OG : rot 180:sc= 0 USER MOD Single : A 892 GLN : amide:sc= -0.0643 K(o=-0.064,f=-1.2) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 894 CYS SG : rot 44:sc= -0.277 USER MOD Single : A 896 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 897 HIS : no HD1:sc= -0.846 X(o=-0.85,f=-0.42) USER MOD Single : A 901 THR OG1 : rot 170:sc=-0.00744 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 108:sc= 0.893 USER MOD Single : A 910 TYR OH : rot 115:sc= 0.00169 USER MOD Single : A 912 ASN : amide:sc= -1.19! X(o=-1.2!,f=-1.1) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.44) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.4!) USER MOD Single : A 941 LYS NZ :NH3+ 151:sc= 0.189 (180deg=-0.466) USER MOD Single : A 942 MET CE :methyl 174:sc= 0 (180deg=-0.0635) USER MOD Single : A 943 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 945 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 946 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 948 SER OG : rot 180:sc= 0 USER MOD Single : A 951 SER OG : rot 180:sc= 0 USER MOD Single : A 952 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 885 -22.320 -0.400 -22.231 1.00 0.00 N ATOM 2 CA GLY A 885 -20.869 -0.425 -22.278 1.00 0.00 C ATOM 3 C GLY A 885 -20.261 0.956 -22.134 1.00 0.00 C ATOM 4 O GLY A 885 -19.844 1.564 -23.119 1.00 0.00 O ATOM 0 HA2 GLY A 885 -20.494 -1.069 -21.482 1.00 0.00 H new ATOM 0 HA3 GLY A 885 -20.547 -0.864 -23.222 1.00 0.00 H new ATOM 8 N SER A 886 -20.211 1.453 -20.902 1.00 0.00 N ATOM 9 CA SER A 886 -19.653 2.773 -20.632 1.00 0.00 C ATOM 10 C SER A 886 -18.130 2.746 -20.711 1.00 0.00 C ATOM 11 O SER A 886 -17.487 1.828 -20.202 1.00 0.00 O ATOM 12 CB SER A 886 -20.096 3.265 -19.253 1.00 0.00 C ATOM 13 OG SER A 886 -19.373 4.421 -18.867 1.00 0.00 O ATOM 0 H SER A 886 -20.550 0.961 -20.075 1.00 0.00 H new ATOM 0 HA SER A 886 -20.026 3.460 -21.392 1.00 0.00 H new ATOM 0 HB2 SER A 886 -21.163 3.488 -19.269 1.00 0.00 H new ATOM 0 HB3 SER A 886 -19.946 2.476 -18.516 1.00 0.00 H new ATOM 0 HG SER A 886 -19.676 4.716 -17.983 1.00 0.00 H new ATOM 19 N SER A 887 -17.559 3.761 -21.352 1.00 0.00 N ATOM 20 CA SER A 887 -16.111 3.853 -21.501 1.00 0.00 C ATOM 21 C SER A 887 -15.489 4.589 -20.319 1.00 0.00 C ATOM 22 O SER A 887 -16.049 5.562 -19.815 1.00 0.00 O ATOM 23 CB SER A 887 -15.756 4.568 -22.806 1.00 0.00 C ATOM 24 OG SER A 887 -16.164 5.925 -22.772 1.00 0.00 O ATOM 0 H SER A 887 -18.077 4.531 -21.776 1.00 0.00 H new ATOM 0 HA SER A 887 -15.708 2.841 -21.529 1.00 0.00 H new ATOM 0 HB2 SER A 887 -14.680 4.513 -22.974 1.00 0.00 H new ATOM 0 HB3 SER A 887 -16.236 4.062 -23.644 1.00 0.00 H new ATOM 0 HG SER A 887 -15.924 6.360 -23.617 1.00 0.00 H new ATOM 30 N GLY A 888 -14.325 4.117 -19.882 1.00 0.00 N ATOM 31 CA GLY A 888 -13.645 4.742 -18.762 1.00 0.00 C ATOM 32 C GLY A 888 -14.335 4.470 -17.440 1.00 0.00 C ATOM 33 O GLY A 888 -15.121 5.288 -16.964 1.00 0.00 O ATOM 0 H GLY A 888 -13.841 3.314 -20.283 1.00 0.00 H new ATOM 0 HA2 GLY A 888 -12.619 4.377 -18.715 1.00 0.00 H new ATOM 0 HA3 GLY A 888 -13.594 5.818 -18.927 1.00 0.00 H new ATOM 37 N SER A 889 -14.041 3.318 -16.847 1.00 0.00 N ATOM 38 CA SER A 889 -14.643 2.938 -15.574 1.00 0.00 C ATOM 39 C SER A 889 -14.825 4.156 -14.674 1.00 0.00 C ATOM 40 O SER A 889 -13.982 5.052 -14.646 1.00 0.00 O ATOM 41 CB SER A 889 -13.778 1.893 -14.868 1.00 0.00 C ATOM 42 OG SER A 889 -12.474 2.391 -14.625 1.00 0.00 O ATOM 0 H SER A 889 -13.390 2.631 -17.227 1.00 0.00 H new ATOM 0 HA SER A 889 -15.624 2.509 -15.778 1.00 0.00 H new ATOM 0 HB2 SER A 889 -14.244 1.608 -13.925 1.00 0.00 H new ATOM 0 HB3 SER A 889 -13.719 0.992 -15.479 1.00 0.00 H new ATOM 0 HG SER A 889 -11.860 1.642 -14.475 1.00 0.00 H new ATOM 48 N SER A 890 -15.933 4.182 -13.941 1.00 0.00 N ATOM 49 CA SER A 890 -16.229 5.291 -13.042 1.00 0.00 C ATOM 50 C SER A 890 -15.239 5.331 -11.882 1.00 0.00 C ATOM 51 O SER A 890 -14.955 6.392 -11.329 1.00 0.00 O ATOM 52 CB SER A 890 -17.657 5.173 -12.504 1.00 0.00 C ATOM 53 OG SER A 890 -18.603 5.197 -13.559 1.00 0.00 O ATOM 0 H SER A 890 -16.641 3.448 -13.952 1.00 0.00 H new ATOM 0 HA SER A 890 -16.136 6.218 -13.608 1.00 0.00 H new ATOM 0 HB2 SER A 890 -17.761 4.246 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 890 -17.857 5.992 -11.813 1.00 0.00 H new ATOM 0 HG SER A 890 -19.507 5.118 -13.189 1.00 0.00 H new ATOM 59 N GLY A 891 -14.716 4.163 -11.519 1.00 0.00 N ATOM 60 CA GLY A 891 -13.763 4.085 -10.428 1.00 0.00 C ATOM 61 C GLY A 891 -13.315 2.663 -10.150 1.00 0.00 C ATOM 62 O GLY A 891 -13.174 2.266 -8.993 1.00 0.00 O ATOM 0 H GLY A 891 -14.936 3.270 -11.961 1.00 0.00 H new ATOM 0 HA2 GLY A 891 -12.893 4.697 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 891 -14.211 4.504 -9.527 1.00 0.00 H new ATOM 66 N GLN A 892 -13.094 1.896 -11.212 1.00 0.00 N ATOM 67 CA GLN A 892 -12.662 0.510 -11.076 1.00 0.00 C ATOM 68 C GLN A 892 -11.151 0.426 -10.889 1.00 0.00 C ATOM 69 O GLN A 892 -10.409 0.200 -11.846 1.00 0.00 O ATOM 70 CB GLN A 892 -13.082 -0.300 -12.303 1.00 0.00 C ATOM 71 CG GLN A 892 -13.052 -1.803 -12.080 1.00 0.00 C ATOM 72 CD GLN A 892 -13.025 -2.586 -13.378 1.00 0.00 C ATOM 73 OE1 GLN A 892 -12.422 -2.157 -14.362 1.00 0.00 O ATOM 74 NE2 GLN A 892 -13.680 -3.741 -13.387 1.00 0.00 N ATOM 0 H GLN A 892 -13.207 2.210 -12.176 1.00 0.00 H new ATOM 0 HA GLN A 892 -13.142 0.092 -10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 892 -14.090 -0.005 -12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 892 -12.423 -0.051 -13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 892 -12.175 -2.061 -11.486 1.00 0.00 H new ATOM 0 HG3 GLN A 892 -13.927 -2.098 -11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 892 -14.166 -4.058 -12.548 1.00 0.00 H new ATOM 0 HE22 GLN A 892 -13.697 -4.311 -14.233 1.00 0.00 H new ATOM 83 N TYR A 893 -10.701 0.611 -9.653 1.00 0.00 N ATOM 84 CA TYR A 893 -9.278 0.559 -9.342 1.00 0.00 C ATOM 85 C TYR A 893 -9.051 0.509 -7.834 1.00 0.00 C ATOM 86 O TYR A 893 -9.232 1.505 -7.133 1.00 0.00 O ATOM 87 CB TYR A 893 -8.560 1.772 -9.936 1.00 0.00 C ATOM 88 CG TYR A 893 -7.061 1.600 -10.035 1.00 0.00 C ATOM 89 CD1 TYR A 893 -6.509 0.552 -10.761 1.00 0.00 C ATOM 90 CD2 TYR A 893 -6.197 2.484 -9.401 1.00 0.00 C ATOM 91 CE1 TYR A 893 -5.140 0.390 -10.854 1.00 0.00 C ATOM 92 CE2 TYR A 893 -4.827 2.331 -9.490 1.00 0.00 C ATOM 93 CZ TYR A 893 -4.303 1.283 -10.217 1.00 0.00 C ATOM 94 OH TYR A 893 -2.939 1.126 -10.306 1.00 0.00 O ATOM 0 H TYR A 893 -11.302 0.798 -8.850 1.00 0.00 H new ATOM 0 HA TYR A 893 -8.869 -0.350 -9.783 1.00 0.00 H new ATOM 0 HB2 TYR A 893 -8.961 1.970 -10.930 1.00 0.00 H new ATOM 0 HB3 TYR A 893 -8.777 2.648 -9.324 1.00 0.00 H new ATOM 0 HD1 TYR A 893 -7.161 -0.148 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 893 -6.603 3.305 -8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 893 -4.727 -0.431 -11.422 1.00 0.00 H new ATOM 0 HE2 TYR A 893 -4.170 3.029 -8.993 1.00 0.00 H new ATOM 0 HH TYR A 893 -2.494 1.839 -9.802 1.00 0.00 H new ATOM 104 N CYS A 894 -8.653 -0.659 -7.341 1.00 0.00 N ATOM 105 CA CYS A 894 -8.401 -0.843 -5.917 1.00 0.00 C ATOM 106 C CYS A 894 -6.927 -1.141 -5.659 1.00 0.00 C ATOM 107 O CYS A 894 -6.546 -2.288 -5.425 1.00 0.00 O ATOM 108 CB CYS A 894 -9.266 -1.978 -5.366 1.00 0.00 C ATOM 109 SG CYS A 894 -8.956 -3.595 -6.148 1.00 0.00 S ATOM 0 H CYS A 894 -8.498 -1.493 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 894 -8.661 0.084 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 894 -9.092 -2.066 -4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 894 -10.316 -1.718 -5.498 1.00 0.00 H new ATOM 0 HG CYS A 894 -7.675 -3.780 -6.269 1.00 0.00 H new ATOM 114 N TRP A 895 -6.102 -0.100 -5.705 1.00 0.00 N ATOM 115 CA TRP A 895 -4.670 -0.250 -5.476 1.00 0.00 C ATOM 116 C TRP A 895 -4.333 -0.081 -3.999 1.00 0.00 C ATOM 117 O TRP A 895 -4.041 1.023 -3.542 1.00 0.00 O ATOM 118 CB TRP A 895 -3.890 0.769 -6.309 1.00 0.00 C ATOM 119 CG TRP A 895 -4.217 2.191 -5.965 1.00 0.00 C ATOM 120 CD1 TRP A 895 -5.289 2.915 -6.403 1.00 0.00 C ATOM 121 CD2 TRP A 895 -3.464 3.061 -5.113 1.00 0.00 C ATOM 122 NE1 TRP A 895 -5.248 4.182 -5.875 1.00 0.00 N ATOM 123 CE2 TRP A 895 -4.139 4.297 -5.079 1.00 0.00 C ATOM 124 CE3 TRP A 895 -2.287 2.916 -4.373 1.00 0.00 C ATOM 125 CZ2 TRP A 895 -3.673 5.379 -4.336 1.00 0.00 C ATOM 126 CZ3 TRP A 895 -1.826 3.990 -3.637 1.00 0.00 C ATOM 127 CH2 TRP A 895 -2.519 5.208 -3.622 1.00 0.00 C ATOM 0 H TRP A 895 -6.401 0.856 -5.899 1.00 0.00 H new ATOM 0 HA TRP A 895 -4.383 -1.256 -5.782 1.00 0.00 H new ATOM 0 HB2 TRP A 895 -2.822 0.604 -6.165 1.00 0.00 H new ATOM 0 HB3 TRP A 895 -4.099 0.601 -7.365 1.00 0.00 H new ATOM 0 HD1 TRP A 895 -6.056 2.545 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 895 -5.932 4.918 -6.048 1.00 0.00 H new ATOM 0 HE3 TRP A 895 -1.747 1.980 -4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 895 -4.204 6.319 -4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 895 -0.916 3.889 -3.064 1.00 0.00 H new ATOM 0 HH2 TRP A 895 -2.134 6.028 -3.035 1.00 0.00 H new ATOM 138 N GLN A 896 -4.376 -1.183 -3.257 1.00 0.00 N ATOM 139 CA GLN A 896 -4.076 -1.155 -1.830 1.00 0.00 C ATOM 140 C GLN A 896 -2.976 -2.153 -1.486 1.00 0.00 C ATOM 141 O GLN A 896 -2.984 -3.291 -1.958 1.00 0.00 O ATOM 142 CB GLN A 896 -5.334 -1.464 -1.017 1.00 0.00 C ATOM 143 CG GLN A 896 -5.977 -2.795 -1.372 1.00 0.00 C ATOM 144 CD GLN A 896 -7.355 -2.960 -0.762 1.00 0.00 C ATOM 145 OE1 GLN A 896 -8.282 -2.216 -1.083 1.00 0.00 O ATOM 146 NE2 GLN A 896 -7.497 -3.939 0.124 1.00 0.00 N ATOM 0 H GLN A 896 -4.615 -2.106 -3.620 1.00 0.00 H new ATOM 0 HA GLN A 896 -3.726 -0.154 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 896 -5.080 -1.464 0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 896 -6.061 -0.666 -1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 896 -6.051 -2.880 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 896 -5.334 -3.607 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 896 -6.702 -4.532 0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 896 -8.402 -4.098 0.568 1.00 0.00 H new ATOM 155 N HIS A 897 -2.029 -1.721 -0.659 1.00 0.00 N ATOM 156 CA HIS A 897 -0.921 -2.577 -0.251 1.00 0.00 C ATOM 157 C HIS A 897 -0.341 -2.116 1.083 1.00 0.00 C ATOM 158 O HIS A 897 -0.842 -1.173 1.696 1.00 0.00 O ATOM 159 CB HIS A 897 0.171 -2.579 -1.322 1.00 0.00 C ATOM 160 CG HIS A 897 -0.126 -3.482 -2.479 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.129 -4.857 -2.379 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.434 -3.199 -3.766 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.424 -5.381 -3.556 1.00 0.00 C ATOM 164 NE2 HIS A 897 -0.614 -4.396 -4.415 1.00 0.00 N ATOM 0 H HIS A 897 -2.007 -0.783 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 897 -1.303 -3.591 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 897 0.308 -1.563 -1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 897 1.114 -2.883 -0.867 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.522 -2.215 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -0.497 -6.435 -3.778 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -0.855 -4.506 -5.400 1.00 0.00 H new ATOM 172 N ARG A 898 0.717 -2.788 1.527 1.00 0.00 N ATOM 173 CA ARG A 898 1.363 -2.448 2.789 1.00 0.00 C ATOM 174 C ARG A 898 1.938 -1.036 2.742 1.00 0.00 C ATOM 175 O ARG A 898 3.021 -0.813 2.200 1.00 0.00 O ATOM 176 CB ARG A 898 2.473 -3.453 3.104 1.00 0.00 C ATOM 177 CG ARG A 898 1.961 -4.773 3.655 1.00 0.00 C ATOM 178 CD ARG A 898 1.730 -5.788 2.547 1.00 0.00 C ATOM 179 NE ARG A 898 0.668 -6.732 2.881 1.00 0.00 N ATOM 180 CZ ARG A 898 -0.622 -6.491 2.674 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.007 -5.342 2.136 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.530 -7.400 3.006 1.00 0.00 N ATOM 0 H ARG A 898 1.144 -3.570 1.032 1.00 0.00 H new ATOM 0 HA ARG A 898 0.611 -2.489 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 898 3.045 -3.645 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 898 3.159 -3.009 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.679 -5.172 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 898 1.030 -4.606 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 898 1.474 -5.266 1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 898 2.654 -6.334 2.358 1.00 0.00 H new ATOM 0 HE ARG A 898 0.931 -7.626 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.312 -4.641 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.998 -5.160 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -1.238 -8.285 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.520 -7.214 2.847 1.00 0.00 H new ATOM 196 N PHE A 899 1.206 -0.086 3.314 1.00 0.00 N ATOM 197 CA PHE A 899 1.643 1.306 3.337 1.00 0.00 C ATOM 198 C PHE A 899 3.161 1.398 3.453 1.00 0.00 C ATOM 199 O PHE A 899 3.801 0.640 4.183 1.00 0.00 O ATOM 200 CB PHE A 899 0.985 2.049 4.501 1.00 0.00 C ATOM 201 CG PHE A 899 1.198 3.536 4.460 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.461 4.074 4.647 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.135 4.395 4.234 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.660 5.441 4.609 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.328 5.763 4.194 1.00 0.00 C ATOM 206 CZ PHE A 899 1.592 6.287 4.383 1.00 0.00 C ATOM 0 H PHE A 899 0.308 -0.254 3.768 1.00 0.00 H new ATOM 0 HA PHE A 899 1.340 1.772 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 899 -0.085 1.843 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.379 1.659 5.440 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.300 3.417 4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.856 3.991 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.650 5.847 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.509 6.422 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.745 7.356 4.354 1.00 0.00 H new ATOM 216 N PRO A 900 3.754 2.348 2.714 1.00 0.00 N ATOM 217 CA PRO A 900 5.204 2.562 2.716 1.00 0.00 C ATOM 218 C PRO A 900 5.703 3.139 4.037 1.00 0.00 C ATOM 219 O PRO A 900 5.700 4.354 4.237 1.00 0.00 O ATOM 220 CB PRO A 900 5.415 3.566 1.580 1.00 0.00 C ATOM 221 CG PRO A 900 4.117 4.288 1.466 1.00 0.00 C ATOM 222 CD PRO A 900 3.054 3.287 1.822 1.00 0.00 C ATOM 0 HA PRO A 900 5.754 1.630 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.231 4.252 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.670 3.061 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.087 5.145 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 900 3.970 4.670 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.208 3.760 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.663 2.785 0.937 1.00 0.00 H new ATOM 230 N THR A 901 6.132 2.260 4.937 1.00 0.00 N ATOM 231 CA THR A 901 6.634 2.681 6.238 1.00 0.00 C ATOM 232 C THR A 901 7.333 4.033 6.147 1.00 0.00 C ATOM 233 O THR A 901 7.232 4.858 7.053 1.00 0.00 O ATOM 234 CB THR A 901 7.614 1.648 6.825 1.00 0.00 C ATOM 235 OG1 THR A 901 8.824 1.630 6.059 1.00 0.00 O ATOM 236 CG2 THR A 901 6.994 0.259 6.834 1.00 0.00 C ATOM 0 H THR A 901 6.142 1.251 4.788 1.00 0.00 H new ATOM 0 HA THR A 901 5.770 2.765 6.897 1.00 0.00 H new ATOM 0 HB THR A 901 7.839 1.936 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.499 1.095 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.704 -0.454 7.253 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.089 0.269 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.744 -0.034 5.814 1.00 0.00 H new ATOM 244 N GLY A 902 8.044 4.253 5.044 1.00 0.00 N ATOM 245 CA GLY A 902 8.749 5.507 4.855 1.00 0.00 C ATOM 246 C GLY A 902 9.933 5.370 3.918 1.00 0.00 C ATOM 247 O GLY A 902 10.475 6.367 3.441 1.00 0.00 O ATOM 0 H GLY A 902 8.144 3.585 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.059 6.252 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.094 5.875 5.821 1.00 0.00 H new ATOM 251 N TYR A 903 10.337 4.132 3.654 1.00 0.00 N ATOM 252 CA TYR A 903 11.467 3.868 2.771 1.00 0.00 C ATOM 253 C TYR A 903 11.034 3.896 1.309 1.00 0.00 C ATOM 254 O TYR A 903 9.906 3.533 0.976 1.00 0.00 O ATOM 255 CB TYR A 903 12.095 2.514 3.103 1.00 0.00 C ATOM 256 CG TYR A 903 12.784 2.479 4.448 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.059 2.606 5.627 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.161 2.318 4.541 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.685 2.576 6.857 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.796 2.285 5.767 1.00 0.00 C ATOM 261 CZ TYR A 903 14.054 2.415 6.923 1.00 0.00 C ATOM 262 OH TYR A 903 14.681 2.383 8.147 1.00 0.00 O ATOM 0 H TYR A 903 9.899 3.295 4.039 1.00 0.00 H new ATOM 0 HA TYR A 903 12.208 4.652 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.319 1.748 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.817 2.258 2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 903 10.987 2.730 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.745 2.217 3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.106 2.678 7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.867 2.158 5.821 1.00 0.00 H new ATOM 0 HH TYR A 903 15.645 2.262 8.018 1.00 0.00 H new ATOM 272 N PHE A 904 11.940 4.330 0.439 1.00 0.00 N ATOM 273 CA PHE A 904 11.653 4.407 -0.989 1.00 0.00 C ATOM 274 C PHE A 904 12.606 3.518 -1.783 1.00 0.00 C ATOM 275 O PHE A 904 13.309 3.987 -2.678 1.00 0.00 O ATOM 276 CB PHE A 904 11.762 5.853 -1.476 1.00 0.00 C ATOM 277 CG PHE A 904 11.636 5.995 -2.966 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.594 5.388 -3.648 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.561 6.735 -3.685 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.475 5.517 -5.019 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.447 6.868 -5.056 1.00 0.00 C ATOM 282 CZ PHE A 904 11.404 6.257 -5.724 1.00 0.00 C ATOM 0 H PHE A 904 12.879 4.634 0.698 1.00 0.00 H new ATOM 0 HA PHE A 904 10.635 4.053 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.986 6.449 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.721 6.263 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.866 4.807 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.380 7.213 -3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.657 5.040 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.173 7.449 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.315 6.358 -6.796 1.00 0.00 H new ATOM 292 N SER A 905 12.623 2.231 -1.448 1.00 0.00 N ATOM 293 CA SER A 905 13.492 1.277 -2.127 1.00 0.00 C ATOM 294 C SER A 905 12.863 -0.113 -2.143 1.00 0.00 C ATOM 295 O SER A 905 11.949 -0.402 -1.369 1.00 0.00 O ATOM 296 CB SER A 905 14.859 1.223 -1.442 1.00 0.00 C ATOM 297 OG SER A 905 14.727 0.920 -0.063 1.00 0.00 O ATOM 0 H SER A 905 12.045 1.826 -0.711 1.00 0.00 H new ATOM 0 HA SER A 905 13.623 1.610 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 905 15.482 0.470 -1.925 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.367 2.180 -1.560 1.00 0.00 H new ATOM 0 HG SER A 905 15.030 0.002 0.101 1.00 0.00 H new ATOM 303 N ILE A 906 13.360 -0.970 -3.029 1.00 0.00 N ATOM 304 CA ILE A 906 12.848 -2.330 -3.145 1.00 0.00 C ATOM 305 C ILE A 906 13.639 -3.292 -2.265 1.00 0.00 C ATOM 306 O ILE A 906 14.841 -3.120 -2.062 1.00 0.00 O ATOM 307 CB ILE A 906 12.897 -2.827 -4.602 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.931 -2.020 -5.472 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.564 -4.310 -4.668 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.478 -2.206 -5.095 1.00 0.00 C ATOM 0 H ILE A 906 14.116 -0.747 -3.676 1.00 0.00 H new ATOM 0 HA ILE A 906 11.810 -2.306 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 906 13.908 -2.684 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 906 12.185 -0.963 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.067 -2.308 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.603 -4.646 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.287 -4.872 -4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.563 -4.476 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.851 -1.604 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.207 -3.257 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.327 -1.891 -4.063 1.00 0.00 H new ATOM 322 N CYS A 907 12.956 -4.307 -1.746 1.00 0.00 N ATOM 323 CA CYS A 907 13.594 -5.299 -0.889 1.00 0.00 C ATOM 324 C CYS A 907 14.416 -6.284 -1.714 1.00 0.00 C ATOM 325 O CYS A 907 13.876 -7.020 -2.541 1.00 0.00 O ATOM 326 CB CYS A 907 12.540 -6.053 -0.075 1.00 0.00 C ATOM 327 SG CYS A 907 13.233 -7.161 1.194 1.00 0.00 S ATOM 0 H CYS A 907 11.961 -4.464 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 907 14.265 -4.776 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.884 -5.329 0.409 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.922 -6.639 -0.755 1.00 0.00 H new ATOM 332 N ASP A 908 15.724 -6.293 -1.484 1.00 0.00 N ATOM 333 CA ASP A 908 16.622 -7.188 -2.205 1.00 0.00 C ATOM 334 C ASP A 908 16.214 -8.644 -2.004 1.00 0.00 C ATOM 335 O ASP A 908 16.305 -9.457 -2.924 1.00 0.00 O ATOM 336 CB ASP A 908 18.065 -6.980 -1.742 1.00 0.00 C ATOM 337 CG ASP A 908 18.406 -7.813 -0.522 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.435 -9.055 -0.641 1.00 0.00 O ATOM 339 OD2 ASP A 908 18.644 -7.222 0.553 1.00 0.00 O ATOM 0 H ASP A 908 16.187 -5.690 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 908 16.553 -6.954 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.745 -7.236 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.222 -5.926 -1.514 1.00 0.00 H new ATOM 344 N ARG A 909 15.766 -8.966 -0.794 1.00 0.00 N ATOM 345 CA ARG A 909 15.347 -10.324 -0.472 1.00 0.00 C ATOM 346 C ARG A 909 14.114 -10.719 -1.280 1.00 0.00 C ATOM 347 O ARG A 909 14.084 -11.778 -1.907 1.00 0.00 O ATOM 348 CB ARG A 909 15.051 -10.447 1.024 1.00 0.00 C ATOM 349 CG ARG A 909 16.261 -10.194 1.908 1.00 0.00 C ATOM 350 CD ARG A 909 16.356 -8.732 2.317 1.00 0.00 C ATOM 351 NE ARG A 909 17.234 -8.542 3.468 1.00 0.00 N ATOM 352 CZ ARG A 909 16.835 -8.677 4.728 1.00 0.00 C ATOM 353 NH1 ARG A 909 15.578 -9.003 4.997 1.00 0.00 N ATOM 354 NH2 ARG A 909 17.694 -8.488 5.721 1.00 0.00 N ATOM 0 H ARG A 909 15.684 -8.305 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 909 16.161 -11.000 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.264 -9.741 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.665 -11.446 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.199 -10.819 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.168 -10.484 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.727 -8.144 1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.361 -8.357 2.554 1.00 0.00 H new ATOM 0 HE ARG A 909 18.208 -8.292 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 909 14.915 -9.151 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 909 15.274 -9.106 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 909 18.662 -8.239 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 909 17.387 -8.592 6.688 1.00 0.00 H new ATOM 368 N TYR A 910 13.100 -9.862 -1.259 1.00 0.00 N ATOM 369 CA TYR A 910 11.864 -10.122 -1.987 1.00 0.00 C ATOM 370 C TYR A 910 12.134 -10.283 -3.480 1.00 0.00 C ATOM 371 O TYR A 910 11.822 -11.316 -4.071 1.00 0.00 O ATOM 372 CB TYR A 910 10.864 -8.988 -1.757 1.00 0.00 C ATOM 373 CG TYR A 910 9.597 -9.124 -2.572 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.595 -10.007 -2.191 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.403 -8.369 -3.722 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.436 -10.135 -2.933 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.247 -8.489 -4.469 1.00 0.00 C ATOM 378 CZ TYR A 910 7.267 -9.374 -4.070 1.00 0.00 C ATOM 379 OH TYR A 910 6.114 -9.498 -4.812 1.00 0.00 O ATOM 0 H TYR A 910 13.109 -8.981 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 910 11.440 -11.053 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.604 -8.953 -0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.342 -8.039 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.724 -10.604 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.169 -7.676 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.667 -10.827 -2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.111 -7.894 -5.360 1.00 0.00 H new ATOM 0 HH TYR A 910 5.614 -8.656 -4.782 1.00 0.00 H new ATOM 389 N MET A 911 12.717 -9.252 -4.083 1.00 0.00 N ATOM 390 CA MET A 911 13.032 -9.278 -5.506 1.00 0.00 C ATOM 391 C MET A 911 13.783 -10.554 -5.874 1.00 0.00 C ATOM 392 O MET A 911 13.553 -11.137 -6.932 1.00 0.00 O ATOM 393 CB MET A 911 13.866 -8.054 -5.889 1.00 0.00 C ATOM 394 CG MET A 911 13.033 -6.814 -6.168 1.00 0.00 C ATOM 395 SD MET A 911 12.126 -6.921 -7.723 1.00 0.00 S ATOM 396 CE MET A 911 10.437 -6.971 -7.127 1.00 0.00 C ATOM 0 H MET A 911 12.981 -8.389 -3.608 1.00 0.00 H new ATOM 0 HA MET A 911 12.093 -9.257 -6.060 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.568 -7.837 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.458 -8.290 -6.773 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.328 -6.663 -5.350 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.685 -5.941 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 911 9.755 -7.056 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.308 -7.831 -6.470 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.219 -6.057 -6.575 1.00 0.00 H new ATOM 406 N ASN A 912 14.681 -10.982 -4.992 1.00 0.00 N ATOM 407 CA ASN A 912 15.466 -12.189 -5.225 1.00 0.00 C ATOM 408 C ASN A 912 14.564 -13.416 -5.313 1.00 0.00 C ATOM 409 O ASN A 912 14.560 -14.127 -6.317 1.00 0.00 O ATOM 410 CB ASN A 912 16.494 -12.377 -4.108 1.00 0.00 C ATOM 411 CG ASN A 912 17.810 -11.688 -4.412 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.869 -12.315 -4.402 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.749 -10.389 -4.685 1.00 0.00 N ATOM 0 H ASN A 912 14.883 -10.511 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 912 15.988 -12.075 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.089 -11.985 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.671 -13.442 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.602 -9.872 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 912 16.849 -9.909 -4.682 1.00 0.00 H new ATOM 420 N GLY A 913 13.798 -13.658 -4.253 1.00 0.00 N ATOM 421 CA GLY A 913 12.902 -14.799 -4.230 1.00 0.00 C ATOM 422 C GLY A 913 12.018 -14.818 -2.999 1.00 0.00 C ATOM 423 O GLY A 913 10.791 -14.849 -3.105 1.00 0.00 O ATOM 0 H GLY A 913 13.782 -13.084 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.276 -14.784 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.488 -15.718 -4.267 1.00 0.00 H new ATOM 427 N THR A 914 12.641 -14.800 -1.825 1.00 0.00 N ATOM 428 CA THR A 914 11.903 -14.818 -0.568 1.00 0.00 C ATOM 429 C THR A 914 12.455 -13.785 0.408 1.00 0.00 C ATOM 430 O THR A 914 13.658 -13.524 0.438 1.00 0.00 O ATOM 431 CB THR A 914 11.952 -16.209 0.092 1.00 0.00 C ATOM 432 OG1 THR A 914 11.170 -16.210 1.292 1.00 0.00 O ATOM 433 CG2 THR A 914 13.385 -16.605 0.415 1.00 0.00 C ATOM 0 H THR A 914 13.655 -14.773 -1.718 1.00 0.00 H new ATOM 0 HA THR A 914 10.868 -14.573 -0.805 1.00 0.00 H new ATOM 0 HB THR A 914 11.541 -16.934 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.205 -17.098 1.704 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.394 -17.591 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.971 -16.632 -0.504 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.818 -15.876 1.100 1.00 0.00 H new ATOM 441 N CYS A 915 11.569 -13.200 1.207 1.00 0.00 N ATOM 442 CA CYS A 915 11.966 -12.195 2.185 1.00 0.00 C ATOM 443 C CYS A 915 11.613 -12.644 3.600 1.00 0.00 C ATOM 444 O CYS A 915 10.586 -13.279 3.839 1.00 0.00 O ATOM 445 CB CYS A 915 11.289 -10.858 1.879 1.00 0.00 C ATOM 446 SG CYS A 915 11.150 -9.748 3.316 1.00 0.00 S ATOM 0 H CYS A 915 10.570 -13.405 1.196 1.00 0.00 H new ATOM 0 HA CYS A 915 13.047 -12.070 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.850 -10.350 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.291 -11.050 1.484 1.00 0.00 H new ATOM 451 N PRO A 916 12.484 -12.307 4.563 1.00 0.00 N ATOM 452 CA PRO A 916 12.286 -12.664 5.971 1.00 0.00 C ATOM 453 C PRO A 916 11.134 -11.894 6.607 1.00 0.00 C ATOM 454 O PRO A 916 10.261 -12.481 7.246 1.00 0.00 O ATOM 455 CB PRO A 916 13.614 -12.276 6.625 1.00 0.00 C ATOM 456 CG PRO A 916 14.173 -11.211 5.747 1.00 0.00 C ATOM 457 CD PRO A 916 13.729 -11.550 4.351 1.00 0.00 C ATOM 0 HA PRO A 916 12.027 -13.716 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.463 -11.912 7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.288 -13.130 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.808 -10.228 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.261 -11.181 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.558 -10.654 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.476 -12.144 3.825 1.00 0.00 H new ATOM 465 N GLU A 917 11.137 -10.577 6.428 1.00 0.00 N ATOM 466 CA GLU A 917 10.092 -9.727 6.986 1.00 0.00 C ATOM 467 C GLU A 917 8.711 -10.203 6.543 1.00 0.00 C ATOM 468 O GLU A 917 7.939 -10.732 7.342 1.00 0.00 O ATOM 469 CB GLU A 917 10.303 -8.273 6.559 1.00 0.00 C ATOM 470 CG GLU A 917 11.608 -7.676 7.058 1.00 0.00 C ATOM 471 CD GLU A 917 11.767 -7.797 8.561 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.744 -7.738 9.274 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.917 -7.950 9.025 1.00 0.00 O ATOM 0 H GLU A 917 11.852 -10.075 5.901 1.00 0.00 H new ATOM 0 HA GLU A 917 10.149 -9.790 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.279 -8.216 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.473 -7.671 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.443 -8.175 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.654 -6.624 6.775 1.00 0.00 H new ATOM 480 N GLY A 918 8.406 -10.010 5.264 1.00 0.00 N ATOM 481 CA GLY A 918 7.119 -10.424 4.737 1.00 0.00 C ATOM 482 C GLY A 918 6.196 -9.250 4.474 1.00 0.00 C ATOM 483 O GLY A 918 6.391 -8.501 3.518 1.00 0.00 O ATOM 0 H GLY A 918 9.028 -9.574 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.270 -10.978 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.643 -11.106 5.442 1.00 0.00 H new ATOM 487 N ASN A 919 5.186 -9.092 5.323 1.00 0.00 N ATOM 488 CA ASN A 919 4.228 -8.003 5.177 1.00 0.00 C ATOM 489 C ASN A 919 4.660 -6.785 5.988 1.00 0.00 C ATOM 490 O ASN A 919 4.483 -5.645 5.558 1.00 0.00 O ATOM 491 CB ASN A 919 2.836 -8.457 5.621 1.00 0.00 C ATOM 492 CG ASN A 919 2.768 -8.744 7.108 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.442 -7.865 7.907 1.00 0.00 O ATOM 494 ND2 ASN A 919 3.077 -9.978 7.487 1.00 0.00 N ATOM 0 H ASN A 919 5.010 -9.705 6.119 1.00 0.00 H new ATOM 0 HA ASN A 919 4.193 -7.723 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.108 -7.686 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.556 -9.353 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 919 3.050 -10.230 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 919 3.342 -10.674 6.790 1.00 0.00 H new ATOM 501 N SER A 920 5.228 -7.035 7.163 1.00 0.00 N ATOM 502 CA SER A 920 5.683 -5.959 8.037 1.00 0.00 C ATOM 503 C SER A 920 7.087 -5.504 7.652 1.00 0.00 C ATOM 504 O SER A 920 7.861 -5.055 8.498 1.00 0.00 O ATOM 505 CB SER A 920 5.665 -6.416 9.496 1.00 0.00 C ATOM 506 OG SER A 920 5.436 -5.324 10.370 1.00 0.00 O ATOM 0 H SER A 920 5.384 -7.973 7.532 1.00 0.00 H new ATOM 0 HA SER A 920 5.002 -5.116 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 920 4.887 -7.167 9.636 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.614 -6.891 9.743 1.00 0.00 H new ATOM 0 HG SER A 920 5.428 -5.643 11.297 1.00 0.00 H new ATOM 512 N CYS A 921 7.411 -5.625 6.369 1.00 0.00 N ATOM 513 CA CYS A 921 8.721 -5.227 5.869 1.00 0.00 C ATOM 514 C CYS A 921 8.771 -3.725 5.606 1.00 0.00 C ATOM 515 O CYS A 921 7.773 -3.118 5.215 1.00 0.00 O ATOM 516 CB CYS A 921 9.055 -5.992 4.586 1.00 0.00 C ATOM 517 SG CYS A 921 10.804 -5.886 4.091 1.00 0.00 S ATOM 0 H CYS A 921 6.783 -5.996 5.656 1.00 0.00 H new ATOM 0 HA CYS A 921 9.461 -5.469 6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.790 -7.041 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.435 -5.609 3.775 1.00 0.00 H new ATOM 522 N LYS A 922 9.939 -3.130 5.824 1.00 0.00 N ATOM 523 CA LYS A 922 10.121 -1.700 5.609 1.00 0.00 C ATOM 524 C LYS A 922 10.392 -1.400 4.138 1.00 0.00 C ATOM 525 O LYS A 922 10.143 -0.291 3.664 1.00 0.00 O ATOM 526 CB LYS A 922 11.275 -1.177 6.468 1.00 0.00 C ATOM 527 CG LYS A 922 12.624 -1.770 6.100 1.00 0.00 C ATOM 528 CD LYS A 922 13.767 -0.982 6.719 1.00 0.00 C ATOM 529 CE LYS A 922 15.000 -1.850 6.915 1.00 0.00 C ATOM 530 NZ LYS A 922 14.924 -2.647 8.171 1.00 0.00 N ATOM 0 H LYS A 922 10.774 -3.617 6.150 1.00 0.00 H new ATOM 0 HA LYS A 922 9.200 -1.195 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.326 -0.092 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.065 -1.395 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.671 -2.806 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.734 -1.781 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.015 -0.135 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.451 -0.574 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.109 -2.523 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.888 -1.219 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.783 -3.225 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.845 -2.005 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.091 -3.268 8.138 1.00 0.00 H new ATOM 544 N PHE A 923 10.903 -2.395 3.421 1.00 0.00 N ATOM 545 CA PHE A 923 11.207 -2.238 2.003 1.00 0.00 C ATOM 546 C PHE A 923 9.996 -2.588 1.145 1.00 0.00 C ATOM 547 O PHE A 923 8.985 -3.078 1.649 1.00 0.00 O ATOM 548 CB PHE A 923 12.395 -3.120 1.614 1.00 0.00 C ATOM 549 CG PHE A 923 13.711 -2.619 2.136 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.216 -1.398 1.721 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.443 -3.370 3.043 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.427 -0.933 2.200 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.654 -2.910 3.525 1.00 0.00 C ATOM 554 CZ PHE A 923 16.147 -1.691 3.103 1.00 0.00 C ATOM 0 H PHE A 923 11.115 -3.319 3.798 1.00 0.00 H new ATOM 0 HA PHE A 923 11.465 -1.194 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.225 -4.130 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.446 -3.188 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.657 -0.802 1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.063 -4.324 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.809 0.021 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.215 -3.504 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.094 -1.331 3.478 1.00 0.00 H new ATOM 564 N ALA A 924 10.105 -2.333 -0.155 1.00 0.00 N ATOM 565 CA ALA A 924 9.020 -2.622 -1.084 1.00 0.00 C ATOM 566 C ALA A 924 9.093 -4.062 -1.582 1.00 0.00 C ATOM 567 O ALA A 924 10.180 -4.616 -1.752 1.00 0.00 O ATOM 568 CB ALA A 924 9.057 -1.653 -2.257 1.00 0.00 C ATOM 0 H ALA A 924 10.934 -1.927 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 924 8.077 -2.496 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.241 -1.881 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.948 -0.633 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.008 -1.751 -2.780 1.00 0.00 H new ATOM 574 N HIS A 925 7.931 -4.663 -1.815 1.00 0.00 N ATOM 575 CA HIS A 925 7.864 -6.039 -2.294 1.00 0.00 C ATOM 576 C HIS A 925 7.244 -6.099 -3.687 1.00 0.00 C ATOM 577 O HIS A 925 6.101 -6.524 -3.851 1.00 0.00 O ATOM 578 CB HIS A 925 7.053 -6.899 -1.325 1.00 0.00 C ATOM 579 CG HIS A 925 7.855 -7.421 -0.172 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.433 -8.461 0.629 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.060 -7.040 0.311 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.343 -8.696 1.556 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.342 -7.848 1.385 1.00 0.00 N ATOM 0 H HIS A 925 7.023 -4.219 -1.680 1.00 0.00 H new ATOM 0 HA HIS A 925 8.880 -6.429 -2.350 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.220 -6.311 -0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.625 -7.740 -1.870 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.555 -8.969 0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.684 -6.248 -0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.281 -9.453 2.324 1.00 0.00 H new ATOM 591 N GLY A 926 8.007 -5.671 -4.688 1.00 0.00 N ATOM 592 CA GLY A 926 7.516 -5.684 -6.054 1.00 0.00 C ATOM 593 C GLY A 926 7.539 -4.309 -6.692 1.00 0.00 C ATOM 594 O GLY A 926 6.929 -3.371 -6.181 1.00 0.00 O ATOM 0 H GLY A 926 8.957 -5.315 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.123 -6.367 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.497 -6.070 -6.067 1.00 0.00 H new ATOM 598 N ASN A 927 8.247 -4.190 -7.810 1.00 0.00 N ATOM 599 CA ASN A 927 8.349 -2.918 -8.518 1.00 0.00 C ATOM 600 C ASN A 927 6.995 -2.217 -8.575 1.00 0.00 C ATOM 601 O ASN A 927 6.892 -1.020 -8.308 1.00 0.00 O ATOM 602 CB ASN A 927 8.881 -3.140 -9.935 1.00 0.00 C ATOM 603 CG ASN A 927 8.343 -4.412 -10.561 1.00 0.00 C ATOM 604 OD1 ASN A 927 8.976 -5.538 -10.252 1.00 0.00 O flip ATOM 605 ND2 ASN A 927 7.370 -4.383 -11.315 1.00 0.00 N flip ATOM 0 H ASN A 927 8.758 -4.958 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 927 9.045 -2.282 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.611 -2.288 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.970 -3.183 -9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 927 6.914 -3.495 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 927 7.020 -5.247 -11.729 1.00 0.00 H new ATOM 612 N ALA A 928 5.958 -2.972 -8.924 1.00 0.00 N ATOM 613 CA ALA A 928 4.610 -2.425 -9.014 1.00 0.00 C ATOM 614 C ALA A 928 4.154 -1.865 -7.670 1.00 0.00 C ATOM 615 O ALA A 928 3.615 -0.762 -7.599 1.00 0.00 O ATOM 616 CB ALA A 928 3.639 -3.490 -9.501 1.00 0.00 C ATOM 0 H ALA A 928 6.026 -3.965 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 928 4.624 -1.606 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.636 -3.067 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.947 -3.840 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.637 -4.327 -8.803 1.00 0.00 H new ATOM 622 N GLU A 929 4.375 -2.635 -6.609 1.00 0.00 N ATOM 623 CA GLU A 929 3.984 -2.215 -5.268 1.00 0.00 C ATOM 624 C GLU A 929 4.578 -0.850 -4.931 1.00 0.00 C ATOM 625 O GLU A 929 3.903 0.009 -4.362 1.00 0.00 O ATOM 626 CB GLU A 929 4.435 -3.249 -4.234 1.00 0.00 C ATOM 627 CG GLU A 929 3.710 -3.136 -2.904 1.00 0.00 C ATOM 628 CD GLU A 929 4.056 -4.265 -1.953 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.050 -5.434 -2.393 1.00 0.00 O ATOM 630 OE2 GLU A 929 4.333 -3.980 -0.769 1.00 0.00 O ATOM 0 H GLU A 929 4.822 -3.551 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 929 2.897 -2.136 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.278 -4.248 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.506 -3.138 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.961 -2.183 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.634 -3.131 -3.080 1.00 0.00 H new ATOM 637 N LEU A 930 5.843 -0.658 -5.285 1.00 0.00 N ATOM 638 CA LEU A 930 6.529 0.602 -5.020 1.00 0.00 C ATOM 639 C LEU A 930 5.773 1.774 -5.636 1.00 0.00 C ATOM 640 O LEU A 930 5.433 2.738 -4.949 1.00 0.00 O ATOM 641 CB LEU A 930 7.956 0.554 -5.572 1.00 0.00 C ATOM 642 CG LEU A 930 8.804 1.806 -5.347 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.365 1.824 -3.934 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.928 1.880 -6.370 1.00 0.00 C ATOM 0 H LEU A 930 6.415 -1.359 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 930 6.568 0.746 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.470 -0.295 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.904 0.363 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 930 8.166 2.681 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.966 2.722 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.544 1.820 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.988 0.943 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.521 2.777 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.564 1.000 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.505 1.915 -7.374 1.00 0.00 H new ATOM 656 N HIS A 931 5.509 1.684 -6.936 1.00 0.00 N ATOM 657 CA HIS A 931 4.789 2.736 -7.645 1.00 0.00 C ATOM 658 C HIS A 931 3.719 3.358 -6.753 1.00 0.00 C ATOM 659 O HIS A 931 3.678 4.574 -6.574 1.00 0.00 O ATOM 660 CB HIS A 931 4.149 2.178 -8.916 1.00 0.00 C ATOM 661 CG HIS A 931 5.111 1.445 -9.799 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.712 0.543 -10.763 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.463 1.485 -9.861 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.776 0.059 -11.379 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.851 0.615 -10.851 1.00 0.00 N ATOM 0 H HIS A 931 5.783 0.894 -7.520 1.00 0.00 H new ATOM 0 HA HIS A 931 5.505 3.511 -7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.338 1.505 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.704 2.998 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.115 2.088 -9.247 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.768 -0.667 -12.178 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.814 0.429 -11.133 1.00 0.00 H new ATOM 673 N GLU A 932 2.855 2.514 -6.198 1.00 0.00 N ATOM 674 CA GLU A 932 1.784 2.982 -5.326 1.00 0.00 C ATOM 675 C GLU A 932 2.351 3.634 -4.069 1.00 0.00 C ATOM 676 O GLU A 932 1.884 4.690 -3.640 1.00 0.00 O ATOM 677 CB GLU A 932 0.865 1.821 -4.941 1.00 0.00 C ATOM 678 CG GLU A 932 -0.018 1.340 -6.080 1.00 0.00 C ATOM 679 CD GLU A 932 -0.545 -0.065 -5.857 1.00 0.00 C ATOM 680 OE1 GLU A 932 -1.288 -0.270 -4.873 1.00 0.00 O ATOM 681 OE2 GLU A 932 -0.215 -0.958 -6.664 1.00 0.00 O ATOM 0 H GLU A 932 2.876 1.504 -6.336 1.00 0.00 H new ATOM 0 HA GLU A 932 1.206 3.728 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.474 0.989 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.233 2.130 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.858 2.025 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 932 0.549 1.368 -7.011 1.00 0.00 H new ATOM 688 N TRP A 933 3.359 2.998 -3.484 1.00 0.00 N ATOM 689 CA TRP A 933 3.991 3.516 -2.275 1.00 0.00 C ATOM 690 C TRP A 933 4.415 4.969 -2.462 1.00 0.00 C ATOM 691 O TRP A 933 4.206 5.803 -1.582 1.00 0.00 O ATOM 692 CB TRP A 933 5.203 2.662 -1.902 1.00 0.00 C ATOM 693 CG TRP A 933 4.857 1.480 -1.048 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.636 0.880 -0.934 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.743 0.757 -0.186 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.708 -0.172 -0.054 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.991 -0.270 0.418 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.099 0.874 0.132 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.550 -1.169 1.322 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.652 -0.019 1.029 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.879 -1.030 1.615 1.00 0.00 C ATOM 0 H TRP A 933 3.757 2.123 -3.826 1.00 0.00 H new ATOM 0 HA TRP A 933 3.262 3.471 -1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.687 2.313 -2.814 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.927 3.283 -1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.744 1.188 -1.459 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.933 -0.781 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.704 1.649 -0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.956 -1.948 1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.698 0.064 1.283 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.342 -1.713 2.312 1.00 0.00 H new ATOM 712 N GLU A 934 5.011 5.263 -3.613 1.00 0.00 N ATOM 713 CA GLU A 934 5.465 6.616 -3.913 1.00 0.00 C ATOM 714 C GLU A 934 4.328 7.620 -3.748 1.00 0.00 C ATOM 715 O GLU A 934 4.548 8.763 -3.347 1.00 0.00 O ATOM 716 CB GLU A 934 6.021 6.688 -5.336 1.00 0.00 C ATOM 717 CG GLU A 934 7.191 5.749 -5.581 1.00 0.00 C ATOM 718 CD GLU A 934 7.426 5.482 -7.054 1.00 0.00 C ATOM 719 OE1 GLU A 934 6.443 5.492 -7.824 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.595 5.263 -7.438 1.00 0.00 O ATOM 0 H GLU A 934 5.191 4.584 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 934 6.257 6.870 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.224 6.453 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.337 7.711 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 934 8.093 6.178 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.007 4.804 -5.069 1.00 0.00 H new ATOM 727 N GLU A 935 3.112 7.185 -4.062 1.00 0.00 N ATOM 728 CA GLU A 935 1.940 8.046 -3.950 1.00 0.00 C ATOM 729 C GLU A 935 1.472 8.142 -2.501 1.00 0.00 C ATOM 730 O GLU A 935 1.450 9.225 -1.915 1.00 0.00 O ATOM 731 CB GLU A 935 0.806 7.518 -4.831 1.00 0.00 C ATOM 732 CG GLU A 935 1.226 7.242 -6.265 1.00 0.00 C ATOM 733 CD GLU A 935 0.090 7.433 -7.252 1.00 0.00 C ATOM 734 OE1 GLU A 935 -1.079 7.252 -6.854 1.00 0.00 O ATOM 735 OE2 GLU A 935 0.373 7.762 -8.423 1.00 0.00 O ATOM 0 H GLU A 935 2.912 6.242 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 935 2.219 9.043 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.415 6.600 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.008 8.242 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.050 7.904 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.600 6.221 -6.340 1.00 0.00 H new ATOM 742 N ARG A 936 1.097 7.002 -1.930 1.00 0.00 N ATOM 743 CA ARG A 936 0.627 6.958 -0.551 1.00 0.00 C ATOM 744 C ARG A 936 1.355 7.989 0.306 1.00 0.00 C ATOM 745 O ARG A 936 0.768 8.986 0.728 1.00 0.00 O ATOM 746 CB ARG A 936 0.829 5.559 0.034 1.00 0.00 C ATOM 747 CG ARG A 936 0.313 4.444 -0.860 1.00 0.00 C ATOM 748 CD ARG A 936 0.097 3.157 -0.079 1.00 0.00 C ATOM 749 NE ARG A 936 -1.283 3.020 0.379 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.272 2.580 -0.390 1.00 0.00 C ATOM 751 NH1 ARG A 936 -2.035 2.237 -1.649 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.502 2.483 0.099 1.00 0.00 N ATOM 0 H ARG A 936 1.110 6.097 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.437 7.196 -0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.892 5.402 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.325 5.502 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.625 4.752 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 936 1.023 4.266 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.357 2.304 -0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.768 3.137 0.780 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.499 3.276 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.091 2.311 -2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.797 1.899 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.688 2.747 1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -4.261 2.145 -0.493 1.00 0.00 H new ATOM 766 N ARG A 937 2.636 7.742 0.558 1.00 0.00 N ATOM 767 CA ARG A 937 3.444 8.649 1.365 1.00 0.00 C ATOM 768 C ARG A 937 3.294 10.088 0.882 1.00 0.00 C ATOM 769 O ARG A 937 2.785 10.946 1.604 1.00 0.00 O ATOM 770 CB ARG A 937 4.916 8.234 1.317 1.00 0.00 C ATOM 771 CG ARG A 937 5.743 8.788 2.466 1.00 0.00 C ATOM 772 CD ARG A 937 6.977 7.938 2.725 1.00 0.00 C ATOM 773 NE ARG A 937 7.985 8.659 3.498 1.00 0.00 N ATOM 774 CZ ARG A 937 8.857 9.505 2.961 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.844 9.736 1.655 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.744 10.122 3.730 1.00 0.00 N ATOM 0 H ARG A 937 3.137 6.922 0.215 1.00 0.00 H new ATOM 0 HA ARG A 937 3.090 8.592 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 937 4.978 7.146 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.349 8.569 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.045 9.810 2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.133 8.830 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.688 7.033 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.406 7.623 1.774 1.00 0.00 H new ATOM 0 HE ARG A 937 8.021 8.504 4.506 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.163 9.264 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.515 10.386 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.757 9.947 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.413 10.771 3.317 1.00 0.00 H new ATOM 790 N ASP A 938 3.740 10.345 -0.343 1.00 0.00 N ATOM 791 CA ASP A 938 3.655 11.680 -0.923 1.00 0.00 C ATOM 792 C ASP A 938 2.367 12.377 -0.496 1.00 0.00 C ATOM 793 O ASP A 938 2.399 13.475 0.060 1.00 0.00 O ATOM 794 CB ASP A 938 3.725 11.601 -2.449 1.00 0.00 C ATOM 795 CG ASP A 938 5.135 11.369 -2.953 1.00 0.00 C ATOM 796 OD1 ASP A 938 6.088 11.637 -2.192 1.00 0.00 O ATOM 797 OD2 ASP A 938 5.287 10.921 -4.109 1.00 0.00 O ATOM 0 H ASP A 938 4.164 9.646 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 938 4.500 12.263 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.080 10.794 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.337 12.526 -2.876 1.00 0.00 H new ATOM 802 N ALA A 939 1.236 11.733 -0.760 1.00 0.00 N ATOM 803 CA ALA A 939 -0.063 12.290 -0.402 1.00 0.00 C ATOM 804 C ALA A 939 -0.013 12.962 0.967 1.00 0.00 C ATOM 805 O ALA A 939 -0.512 14.074 1.142 1.00 0.00 O ATOM 806 CB ALA A 939 -1.127 11.204 -0.420 1.00 0.00 C ATOM 0 H ALA A 939 1.192 10.824 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 939 -0.322 13.048 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -2.091 11.635 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -1.189 10.772 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -0.865 10.426 0.297 1.00 0.00 H new ATOM 812 N LEU A 940 0.590 12.279 1.934 1.00 0.00 N ATOM 813 CA LEU A 940 0.704 12.810 3.288 1.00 0.00 C ATOM 814 C LEU A 940 1.201 14.252 3.268 1.00 0.00 C ATOM 815 O LEU A 940 0.653 15.118 3.951 1.00 0.00 O ATOM 816 CB LEU A 940 1.653 11.943 4.118 1.00 0.00 C ATOM 817 CG LEU A 940 1.353 10.444 4.133 1.00 0.00 C ATOM 818 CD1 LEU A 940 2.322 9.714 5.050 1.00 0.00 C ATOM 819 CD2 LEU A 940 -0.084 10.192 4.563 1.00 0.00 C ATOM 0 H LEU A 940 1.007 11.357 1.806 1.00 0.00 H new ATOM 0 HA LEU A 940 -0.286 12.793 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 940 2.666 12.087 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 940 1.640 12.306 5.146 1.00 0.00 H new ATOM 0 HG LEU A 940 1.482 10.058 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 940 2.093 8.648 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 940 3.342 9.866 4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 940 2.227 10.103 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 940 -0.280 9.120 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 940 -0.240 10.594 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 940 -0.764 10.682 3.866 1.00 0.00 H new ATOM 831 N LYS A 941 2.239 14.503 2.479 1.00 0.00 N ATOM 832 CA LYS A 941 2.809 15.841 2.366 1.00 0.00 C ATOM 833 C LYS A 941 1.711 16.886 2.194 1.00 0.00 C ATOM 834 O LYS A 941 1.857 18.029 2.626 1.00 0.00 O ATOM 835 CB LYS A 941 3.780 15.906 1.185 1.00 0.00 C ATOM 836 CG LYS A 941 3.120 16.303 -0.124 1.00 0.00 C ATOM 837 CD LYS A 941 4.098 16.236 -1.285 1.00 0.00 C ATOM 838 CE LYS A 941 4.405 14.797 -1.672 1.00 0.00 C ATOM 839 NZ LYS A 941 5.599 14.703 -2.557 1.00 0.00 N ATOM 0 H LYS A 941 2.704 13.797 1.908 1.00 0.00 H new ATOM 0 HA LYS A 941 3.352 16.057 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 941 4.571 16.620 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 941 4.255 14.933 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 941 2.275 15.644 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 941 2.723 17.314 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 941 3.683 16.764 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 941 5.022 16.746 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 941 4.573 14.207 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 941 3.542 14.365 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 941 6.067 13.786 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 941 5.302 14.787 -3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 941 6.262 15.471 -2.328 1.00 0.00 H new ATOM 853 N MET A 942 0.613 16.486 1.561 1.00 0.00 N ATOM 854 CA MET A 942 -0.510 17.389 1.334 1.00 0.00 C ATOM 855 C MET A 942 -0.680 18.349 2.507 1.00 0.00 C ATOM 856 O MET A 942 -0.991 19.526 2.320 1.00 0.00 O ATOM 857 CB MET A 942 -1.798 16.592 1.121 1.00 0.00 C ATOM 858 CG MET A 942 -2.325 15.939 2.389 1.00 0.00 C ATOM 859 SD MET A 942 -3.943 15.178 2.157 1.00 0.00 S ATOM 860 CE MET A 942 -3.524 13.442 2.298 1.00 0.00 C ATOM 0 H MET A 942 0.477 15.543 1.196 1.00 0.00 H new ATOM 0 HA MET A 942 -0.300 17.972 0.437 1.00 0.00 H new ATOM 0 HB2 MET A 942 -2.564 17.255 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 942 -1.619 15.820 0.372 1.00 0.00 H new ATOM 0 HG2 MET A 942 -1.616 15.182 2.725 1.00 0.00 H new ATOM 0 HG3 MET A 942 -2.390 16.687 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 942 -4.436 12.845 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 942 -2.887 13.152 1.462 1.00 0.00 H new ATOM 0 HE3 MET A 942 -2.994 13.271 3.235 1.00 0.00 H new ATOM 870 N LYS A 943 -0.475 17.840 3.717 1.00 0.00 N ATOM 871 CA LYS A 943 -0.605 18.652 4.922 1.00 0.00 C ATOM 872 C LYS A 943 0.748 18.839 5.600 1.00 0.00 C ATOM 873 O LYS A 943 0.968 19.823 6.308 1.00 0.00 O ATOM 874 CB LYS A 943 -1.591 18.002 5.896 1.00 0.00 C ATOM 875 CG LYS A 943 -1.223 16.577 6.273 1.00 0.00 C ATOM 876 CD LYS A 943 -2.000 16.105 7.490 1.00 0.00 C ATOM 877 CE LYS A 943 -1.951 14.591 7.629 1.00 0.00 C ATOM 878 NZ LYS A 943 -3.012 14.083 8.543 1.00 0.00 N ATOM 0 H LYS A 943 -0.218 16.868 3.890 1.00 0.00 H new ATOM 0 HA LYS A 943 -0.984 19.632 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -1.646 18.606 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -2.585 18.006 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -1.424 15.914 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -0.154 16.518 6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -1.589 16.567 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -3.037 16.431 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -2.067 14.132 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -0.973 14.292 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -2.945 13.047 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -2.886 14.501 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -3.947 14.346 8.170 1.00 0.00 H new ATOM 892 N LEU A 944 1.651 17.891 5.380 1.00 0.00 N ATOM 893 CA LEU A 944 2.984 17.952 5.969 1.00 0.00 C ATOM 894 C LEU A 944 3.957 18.675 5.042 1.00 0.00 C ATOM 895 O LEU A 944 3.609 19.029 3.916 1.00 0.00 O ATOM 896 CB LEU A 944 3.498 16.542 6.266 1.00 0.00 C ATOM 897 CG LEU A 944 2.629 15.693 7.195 1.00 0.00 C ATOM 898 CD1 LEU A 944 3.277 14.340 7.444 1.00 0.00 C ATOM 899 CD2 LEU A 944 2.386 16.420 8.509 1.00 0.00 C ATOM 0 H LEU A 944 1.485 17.070 4.798 1.00 0.00 H new ATOM 0 HA LEU A 944 2.916 18.511 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 944 3.610 16.011 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 944 4.492 16.624 6.706 1.00 0.00 H new ATOM 0 HG LEU A 944 1.667 15.528 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 944 2.644 13.750 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 944 3.399 13.815 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 944 4.253 14.484 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 944 1.766 15.801 9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 944 3.340 16.616 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 944 1.878 17.364 8.314 1.00 0.00 H new ATOM 911 N ASN A 945 5.177 18.888 5.524 1.00 0.00 N ATOM 912 CA ASN A 945 6.201 19.568 4.738 1.00 0.00 C ATOM 913 C ASN A 945 7.587 19.331 5.329 1.00 0.00 C ATOM 914 O ASN A 945 7.730 19.091 6.528 1.00 0.00 O ATOM 915 CB ASN A 945 5.911 21.069 4.673 1.00 0.00 C ATOM 916 CG ASN A 945 5.652 21.667 6.042 1.00 0.00 C ATOM 917 OD1 ASN A 945 6.570 21.821 6.848 1.00 0.00 O ATOM 918 ND2 ASN A 945 4.397 22.008 6.311 1.00 0.00 N ATOM 0 H ASN A 945 5.481 18.600 6.454 1.00 0.00 H new ATOM 0 HA ASN A 945 6.181 19.157 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 945 6.755 21.580 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 945 5.045 21.242 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 945 4.162 22.416 7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 945 3.668 21.862 5.613 1.00 0.00 H new ATOM 925 N LYS A 946 8.606 19.401 4.480 1.00 0.00 N ATOM 926 CA LYS A 946 9.982 19.196 4.917 1.00 0.00 C ATOM 927 C LYS A 946 10.747 20.516 4.943 1.00 0.00 C ATOM 928 O LYS A 946 11.057 21.084 3.896 1.00 0.00 O ATOM 929 CB LYS A 946 10.690 18.202 3.993 1.00 0.00 C ATOM 930 CG LYS A 946 10.047 16.826 3.973 1.00 0.00 C ATOM 931 CD LYS A 946 8.981 16.724 2.896 1.00 0.00 C ATOM 932 CE LYS A 946 7.933 15.679 3.246 1.00 0.00 C ATOM 933 NZ LYS A 946 8.454 14.294 3.081 1.00 0.00 N ATOM 0 H LYS A 946 8.505 19.598 3.484 1.00 0.00 H new ATOM 0 HA LYS A 946 9.959 18.790 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 946 10.700 18.604 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 946 11.729 18.104 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 946 10.812 16.069 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 946 9.603 16.617 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 946 8.500 17.693 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 946 9.447 16.469 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 946 7.606 15.824 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 946 7.058 15.816 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 7.710 13.611 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 8.743 14.147 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 9.274 14.155 3.706 1.00 0.00 H new ATOM 947 N ALA A 947 11.048 20.996 6.144 1.00 0.00 N ATOM 948 CA ALA A 947 11.779 22.247 6.306 1.00 0.00 C ATOM 949 C ALA A 947 13.267 22.052 6.034 1.00 0.00 C ATOM 950 O ALA A 947 13.853 22.750 5.207 1.00 0.00 O ATOM 951 CB ALA A 947 11.565 22.807 7.704 1.00 0.00 C ATOM 0 H ALA A 947 10.797 20.538 7.020 1.00 0.00 H new ATOM 0 HA ALA A 947 11.393 22.961 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 947 12.117 23.741 7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 947 10.503 22.993 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 947 11.922 22.089 8.442 1.00 0.00 H new ATOM 957 N SER A 948 13.872 21.099 6.735 1.00 0.00 N ATOM 958 CA SER A 948 15.293 20.816 6.572 1.00 0.00 C ATOM 959 C SER A 948 15.656 20.686 5.096 1.00 0.00 C ATOM 960 O SER A 948 15.256 19.733 4.428 1.00 0.00 O ATOM 961 CB SER A 948 15.667 19.532 7.316 1.00 0.00 C ATOM 962 OG SER A 948 17.059 19.480 7.576 1.00 0.00 O ATOM 0 H SER A 948 13.401 20.510 7.421 1.00 0.00 H new ATOM 0 HA SER A 948 15.855 21.649 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 948 15.116 19.479 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 948 15.372 18.666 6.724 1.00 0.00 H new ATOM 0 HG SER A 948 17.272 18.651 8.054 1.00 0.00 H new ATOM 968 N GLY A 949 16.417 21.653 4.593 1.00 0.00 N ATOM 969 CA GLY A 949 16.821 21.630 3.199 1.00 0.00 C ATOM 970 C GLY A 949 16.721 22.993 2.544 1.00 0.00 C ATOM 971 O GLY A 949 16.115 23.921 3.080 1.00 0.00 O ATOM 0 H GLY A 949 16.761 22.452 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 949 17.847 21.270 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 949 16.196 20.922 2.654 1.00 0.00 H new ATOM 975 N PRO A 950 17.327 23.128 1.355 1.00 0.00 N ATOM 976 CA PRO A 950 17.318 24.385 0.600 1.00 0.00 C ATOM 977 C PRO A 950 15.938 24.717 0.044 1.00 0.00 C ATOM 978 O PRO A 950 15.774 25.686 -0.698 1.00 0.00 O ATOM 979 CB PRO A 950 18.305 24.121 -0.540 1.00 0.00 C ATOM 980 CG PRO A 950 18.295 22.641 -0.714 1.00 0.00 C ATOM 981 CD PRO A 950 18.067 22.064 0.656 1.00 0.00 C ATOM 0 HA PRO A 950 17.585 25.238 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 950 17.999 24.629 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 950 19.303 24.484 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 950 17.508 22.334 -1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 950 19.239 22.291 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 950 17.494 21.138 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 950 19.007 21.833 1.156 1.00 0.00 H new ATOM 989 N SER A 951 14.948 23.908 0.407 1.00 0.00 N ATOM 990 CA SER A 951 13.582 24.115 -0.059 1.00 0.00 C ATOM 991 C SER A 951 13.499 23.983 -1.576 1.00 0.00 C ATOM 992 O SER A 951 12.874 24.803 -2.249 1.00 0.00 O ATOM 993 CB SER A 951 13.076 25.493 0.373 1.00 0.00 C ATOM 994 OG SER A 951 12.673 25.486 1.732 1.00 0.00 O ATOM 0 H SER A 951 15.066 23.103 1.022 1.00 0.00 H new ATOM 0 HA SER A 951 12.952 23.347 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 951 13.862 26.234 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 951 12.237 25.790 -0.257 1.00 0.00 H new ATOM 0 HG SER A 951 12.356 26.378 1.984 1.00 0.00 H new ATOM 1000 N SER A 952 14.135 22.944 -2.109 1.00 0.00 N ATOM 1001 CA SER A 952 14.137 22.705 -3.547 1.00 0.00 C ATOM 1002 C SER A 952 14.596 21.284 -3.861 1.00 0.00 C ATOM 1003 O SER A 952 15.595 20.809 -3.324 1.00 0.00 O ATOM 1004 CB SER A 952 15.047 23.714 -4.251 1.00 0.00 C ATOM 1005 OG SER A 952 14.988 23.559 -5.659 1.00 0.00 O ATOM 0 H SER A 952 14.655 22.255 -1.566 1.00 0.00 H new ATOM 0 HA SER A 952 13.118 22.828 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 952 14.749 24.727 -3.981 1.00 0.00 H new ATOM 0 HB3 SER A 952 16.074 23.582 -3.910 1.00 0.00 H new ATOM 0 HG SER A 952 15.577 24.216 -6.085 1.00 0.00 H new ATOM 1011 N GLY A 953 13.855 20.610 -4.737 1.00 0.00 N ATOM 1012 CA GLY A 953 14.200 19.250 -5.108 1.00 0.00 C ATOM 1013 C GLY A 953 13.540 18.220 -4.213 1.00 0.00 C ATOM 1014 O GLY A 953 13.784 18.230 -3.007 1.00 0.00 O ATOM 0 H GLY A 953 13.023 20.982 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 953 13.903 19.072 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 953 15.282 19.127 -5.061 1.00 0.00 H new TER 1018 GLY A 953 HETATM 1019 ZN ZN A1085 11.377 -7.555 2.570 1.00 0.00 ZN