USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 893 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 24 HIS : no HE2:sc= 0.333 K(o=1.6,f=-5.1!) USER MOD Set 1.2: A 94 TYR OH : rot -33:sc= 1.31 USER MOD Set 2.1: A 67 GLN : amide:sc= -0.8 K(o=-0.41,f=-4.6!) USER MOD Set 2.2: A 78 SER OG : rot 84:sc= 0.39 USER MOD Set 3.1: A 48 TYR OH : rot 10:sc= 0.735 USER MOD Set 3.2: A 98 LYS NZ :NH3+ 165:sc= 2.87 (180deg=1.45) USER MOD Set 4.1: A 39 TYR OH : rot 165:sc= -0.339 USER MOD Set 4.2: A 44 ASN :FLIP amide:sc= -0.288 F(o=-2.2!,f=-0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0375 (180deg=-0.142) USER MOD Single : A 4 MET CE :methyl 142:sc= -0.018 (180deg=-0.255) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.627 K(o=0.63,f=-0.19) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.6 K(o=-1.6,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0787 (180deg=-0.322) USER MOD Single : A 31 ASN : amide:sc= -0.908 K(o=-0.91,f=-12!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.029) USER MOD Single : A 69 GLN : amide:sc= -1.25 K(o=-1.3,f=-6.1!) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.0581 (180deg=-0.432) USER MOD Single : A 72 THR OG1 : rot -21:sc= 0.636 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -155:sc= 0.701 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.609 K(o=-0.61,f=-4.7!) USER MOD Single : A 102 LYS NZ :NH3+ -131:sc= 2.76 (180deg=0.572) USER MOD Single : A 105 HIS : no HE2:sc= 0.281 K(o=0.28,f=-4.2!) USER MOD Single : A 106 HIS : no HE2:sc= -0.0675 K(o=-0.068,f=-3.5!) USER MOD Single : A 107 HIS : no HD1:sc= -0.409 X(o=-0.41,f=-0.032) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0824 X(o=-0.082,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.278 -19.306 -8.139 1.00 74.05 N ATOM 2 CA MET A 1 7.732 -19.166 -7.873 1.00 31.33 C ATOM 3 C MET A 1 8.552 -19.384 -9.145 1.00 31.15 C ATOM 4 O MET A 1 9.669 -18.872 -9.263 1.00 3.30 O ATOM 5 CB MET A 1 8.195 -20.159 -6.793 1.00 43.23 C ATOM 6 CG MET A 1 8.057 -21.625 -7.190 1.00 12.24 C ATOM 7 SD MET A 1 8.846 -22.738 -6.009 1.00 22.50 S ATOM 8 CE MET A 1 8.483 -24.331 -6.744 1.00 41.35 C ATOM 0 H1 MET A 1 5.742 -19.021 -7.295 1.00 74.05 H new ATOM 0 H2 MET A 1 6.012 -18.698 -8.940 1.00 74.05 H new ATOM 0 H3 MET A 1 6.061 -20.297 -8.369 1.00 74.05 H new ATOM 0 HA MET A 1 7.896 -18.149 -7.517 1.00 31.33 H new ATOM 0 HB2 MET A 1 9.239 -19.956 -6.553 1.00 43.23 H new ATOM 0 HB3 MET A 1 7.619 -19.985 -5.884 1.00 43.23 H new ATOM 0 HG2 MET A 1 7.000 -21.878 -7.272 1.00 12.24 H new ATOM 0 HG3 MET A 1 8.498 -21.774 -8.176 1.00 12.24 H new ATOM 0 HE1 MET A 1 8.908 -25.122 -6.126 1.00 41.35 H new ATOM 0 HE2 MET A 1 7.403 -24.463 -6.811 1.00 41.35 H new ATOM 0 HE3 MET A 1 8.917 -24.378 -7.743 1.00 41.35 H new ATOM 20 N ILE A 2 8.009 -20.157 -10.089 1.00 64.33 N ATOM 21 CA ILE A 2 8.699 -20.430 -11.349 1.00 11.20 C ATOM 22 C ILE A 2 8.694 -19.183 -12.236 1.00 71.52 C ATOM 23 O ILE A 2 7.748 -18.389 -12.201 1.00 13.10 O ATOM 24 CB ILE A 2 8.048 -21.621 -12.109 1.00 64.43 C ATOM 25 CG1 ILE A 2 8.077 -22.893 -11.240 1.00 72.40 C ATOM 26 CG2 ILE A 2 8.747 -21.868 -13.447 1.00 34.23 C ATOM 27 CD1 ILE A 2 7.410 -24.095 -11.884 1.00 44.14 C ATOM 0 H ILE A 2 7.096 -20.603 -10.004 1.00 64.33 H new ATOM 0 HA ILE A 2 9.728 -20.702 -11.111 1.00 11.20 H new ATOM 0 HB ILE A 2 7.009 -21.364 -12.316 1.00 64.43 H new ATOM 0 HG12 ILE A 2 9.114 -23.143 -11.014 1.00 72.40 H new ATOM 0 HG13 ILE A 2 7.586 -22.683 -10.290 1.00 72.40 H new ATOM 0 HG21 ILE A 2 8.271 -22.706 -13.957 1.00 34.23 H new ATOM 0 HG22 ILE A 2 8.671 -20.975 -14.068 1.00 34.23 H new ATOM 0 HG23 ILE A 2 9.798 -22.099 -13.271 1.00 34.23 H new ATOM 0 HD11 ILE A 2 7.472 -24.950 -11.210 1.00 44.14 H new ATOM 0 HD12 ILE A 2 6.363 -23.866 -12.085 1.00 44.14 H new ATOM 0 HD13 ILE A 2 7.915 -24.333 -12.820 1.00 44.14 H new ATOM 39 N GLY A 3 9.761 -19.006 -13.007 1.00 1.14 N ATOM 40 CA GLY A 3 9.880 -17.851 -13.873 1.00 3.44 C ATOM 41 C GLY A 3 11.325 -17.460 -14.082 1.00 44.33 C ATOM 42 O GLY A 3 11.810 -16.495 -13.482 1.00 24.35 O ATOM 0 H GLY A 3 10.552 -19.649 -13.046 1.00 1.14 H new ATOM 0 HA2 GLY A 3 9.418 -18.068 -14.836 1.00 3.44 H new ATOM 0 HA3 GLY A 3 9.334 -17.013 -13.440 1.00 3.44 H new ATOM 46 N MET A 4 12.020 -18.219 -14.922 1.00 41.44 N ATOM 47 CA MET A 4 13.422 -17.962 -15.220 1.00 71.31 C ATOM 48 C MET A 4 13.542 -16.775 -16.178 1.00 32.23 C ATOM 49 O MET A 4 13.881 -16.929 -17.357 1.00 53.21 O ATOM 50 CB MET A 4 14.095 -19.217 -15.802 1.00 11.11 C ATOM 51 CG MET A 4 14.162 -20.386 -14.825 1.00 21.44 C ATOM 52 SD MET A 4 12.535 -20.981 -14.311 1.00 14.22 S ATOM 53 CE MET A 4 11.912 -21.671 -15.846 1.00 10.42 C ATOM 0 H MET A 4 11.630 -19.024 -15.412 1.00 41.44 H new ATOM 0 HA MET A 4 13.939 -17.711 -14.294 1.00 71.31 H new ATOM 0 HB2 MET A 4 13.551 -19.530 -16.693 1.00 11.11 H new ATOM 0 HB3 MET A 4 15.106 -18.962 -16.120 1.00 11.11 H new ATOM 0 HG2 MET A 4 14.712 -21.206 -15.287 1.00 21.44 H new ATOM 0 HG3 MET A 4 14.725 -20.082 -13.943 1.00 21.44 H new ATOM 0 HE1 MET A 4 11.351 -22.581 -15.634 1.00 10.42 H new ATOM 0 HE2 MET A 4 11.259 -20.946 -16.332 1.00 10.42 H new ATOM 0 HE3 MET A 4 12.748 -21.905 -16.505 1.00 10.42 H new ATOM 63 N SER A 5 13.210 -15.602 -15.655 1.00 55.34 N ATOM 64 CA SER A 5 13.255 -14.346 -16.390 1.00 64.34 C ATOM 65 C SER A 5 13.450 -13.201 -15.394 1.00 31.15 C ATOM 66 O SER A 5 13.209 -13.375 -14.193 1.00 5.35 O ATOM 67 CB SER A 5 11.953 -14.144 -17.189 1.00 4.21 C ATOM 68 OG SER A 5 11.734 -15.211 -18.102 1.00 32.42 O ATOM 0 H SER A 5 12.896 -15.495 -14.690 1.00 55.34 H new ATOM 0 HA SER A 5 14.085 -14.365 -17.097 1.00 64.34 H new ATOM 0 HB2 SER A 5 11.110 -14.072 -16.502 1.00 4.21 H new ATOM 0 HB3 SER A 5 12.001 -13.201 -17.734 1.00 4.21 H new ATOM 0 HG SER A 5 10.900 -15.056 -18.593 1.00 32.42 H new ATOM 74 N GLU A 6 13.886 -12.044 -15.883 1.00 32.22 N ATOM 75 CA GLU A 6 14.119 -10.880 -15.029 1.00 2.25 C ATOM 76 C GLU A 6 12.853 -10.031 -14.909 1.00 44.45 C ATOM 77 O GLU A 6 11.796 -10.402 -15.425 1.00 51.33 O ATOM 78 CB GLU A 6 15.286 -10.043 -15.584 1.00 63.31 C ATOM 79 CG GLU A 6 15.033 -9.453 -16.970 1.00 54.21 C ATOM 80 CD GLU A 6 16.240 -8.699 -17.523 1.00 40.34 C ATOM 81 OE1 GLU A 6 16.360 -7.480 -17.262 1.00 61.42 O ATOM 82 OE2 GLU A 6 17.073 -9.318 -18.221 1.00 71.20 O ATOM 0 H GLU A 6 14.086 -11.886 -16.870 1.00 32.22 H new ATOM 0 HA GLU A 6 14.383 -11.229 -14.031 1.00 2.25 H new ATOM 0 HB2 GLU A 6 15.498 -9.230 -14.889 1.00 63.31 H new ATOM 0 HB3 GLU A 6 16.178 -10.668 -15.625 1.00 63.31 H new ATOM 0 HG2 GLU A 6 14.766 -10.255 -17.658 1.00 54.21 H new ATOM 0 HG3 GLU A 6 14.179 -8.777 -16.921 1.00 54.21 H new ATOM 89 N LYS A 7 12.972 -8.898 -14.224 1.00 31.52 N ATOM 90 CA LYS A 7 11.857 -7.978 -14.025 1.00 64.25 C ATOM 91 C LYS A 7 12.372 -6.644 -13.488 1.00 65.41 C ATOM 92 O LYS A 7 13.309 -6.613 -12.684 1.00 0.22 O ATOM 93 CB LYS A 7 10.825 -8.573 -13.047 1.00 41.04 C ATOM 94 CG LYS A 7 9.679 -7.622 -12.697 1.00 3.51 C ATOM 95 CD LYS A 7 8.843 -7.251 -13.921 1.00 51.41 C ATOM 96 CE LYS A 7 7.843 -6.142 -13.610 1.00 44.35 C ATOM 97 NZ LYS A 7 7.053 -5.754 -14.808 1.00 14.30 N ATOM 0 H LYS A 7 13.843 -8.592 -13.791 1.00 31.52 H new ATOM 0 HA LYS A 7 11.369 -7.816 -14.986 1.00 64.25 H new ATOM 0 HB2 LYS A 7 10.409 -9.482 -13.482 1.00 41.04 H new ATOM 0 HB3 LYS A 7 11.335 -8.864 -12.129 1.00 41.04 H new ATOM 0 HG2 LYS A 7 9.038 -8.088 -11.949 1.00 3.51 H new ATOM 0 HG3 LYS A 7 10.085 -6.716 -12.248 1.00 3.51 H new ATOM 0 HD2 LYS A 7 9.502 -6.930 -14.728 1.00 51.41 H new ATOM 0 HD3 LYS A 7 8.309 -8.132 -14.277 1.00 51.41 H new ATOM 0 HE2 LYS A 7 7.167 -6.474 -12.822 1.00 44.35 H new ATOM 0 HE3 LYS A 7 8.375 -5.270 -13.228 1.00 44.35 H new ATOM 0 HZ1 LYS A 7 6.386 -4.998 -14.554 1.00 14.30 H new ATOM 0 HZ2 LYS A 7 7.695 -5.413 -15.552 1.00 14.30 H new ATOM 0 HZ3 LYS A 7 6.525 -6.579 -15.158 1.00 14.30 H new ATOM 111 N ARG A 8 11.773 -5.552 -13.951 1.00 21.35 N ATOM 112 CA ARG A 8 12.108 -4.218 -13.462 1.00 11.22 C ATOM 113 C ARG A 8 10.857 -3.353 -13.368 1.00 51.51 C ATOM 114 O ARG A 8 9.824 -3.666 -13.965 1.00 14.05 O ATOM 115 CB ARG A 8 13.143 -3.540 -14.374 1.00 64.01 C ATOM 116 CG ARG A 8 12.715 -3.431 -15.835 1.00 4.45 C ATOM 117 CD ARG A 8 13.783 -2.741 -16.678 1.00 71.03 C ATOM 118 NE ARG A 8 15.117 -3.264 -16.380 1.00 74.33 N ATOM 119 CZ ARG A 8 15.585 -4.430 -16.827 1.00 12.23 C ATOM 120 NH1 ARG A 8 14.899 -5.150 -17.702 1.00 42.23 N ATOM 121 NH2 ARG A 8 16.763 -4.865 -16.415 1.00 12.33 N ATOM 0 H ARG A 8 11.048 -5.565 -14.669 1.00 21.35 H new ATOM 0 HA ARG A 8 12.541 -4.327 -12.468 1.00 11.22 H new ATOM 0 HB2 ARG A 8 13.347 -2.540 -13.992 1.00 64.01 H new ATOM 0 HB3 ARG A 8 14.078 -4.099 -14.322 1.00 64.01 H new ATOM 0 HG2 ARG A 8 12.521 -4.427 -16.234 1.00 4.45 H new ATOM 0 HG3 ARG A 8 11.781 -2.874 -15.901 1.00 4.45 H new ATOM 0 HD2 ARG A 8 13.562 -2.884 -17.736 1.00 71.03 H new ATOM 0 HD3 ARG A 8 13.761 -1.668 -16.490 1.00 71.03 H new ATOM 0 HE ARG A 8 15.729 -2.699 -15.791 1.00 74.33 H new ATOM 0 HH11 ARG A 8 13.998 -4.815 -18.044 1.00 42.23 H new ATOM 0 HH12 ARG A 8 15.271 -6.040 -18.034 1.00 42.23 H new ATOM 0 HH21 ARG A 8 17.310 -4.309 -15.758 1.00 12.33 H new ATOM 0 HH22 ARG A 8 17.125 -5.756 -16.754 1.00 12.33 H new ATOM 135 N GLY A 9 10.965 -2.268 -12.615 1.00 14.12 N ATOM 136 CA GLY A 9 9.872 -1.330 -12.467 1.00 10.34 C ATOM 137 C GLY A 9 10.387 0.067 -12.217 1.00 31.21 C ATOM 138 O GLY A 9 11.603 0.271 -12.145 1.00 1.21 O ATOM 0 H GLY A 9 11.806 -2.018 -12.095 1.00 14.12 H new ATOM 0 HA2 GLY A 9 9.256 -1.339 -13.366 1.00 10.34 H new ATOM 0 HA3 GLY A 9 9.233 -1.639 -11.640 1.00 10.34 H new ATOM 142 N GLU A 10 9.483 1.029 -12.103 1.00 20.23 N ATOM 143 CA GLU A 10 9.870 2.403 -11.814 1.00 3.20 C ATOM 144 C GLU A 10 10.293 2.526 -10.353 1.00 31.12 C ATOM 145 O GLU A 10 11.423 2.914 -10.047 1.00 74.25 O ATOM 146 CB GLU A 10 8.715 3.365 -12.116 1.00 31.05 C ATOM 147 CG GLU A 10 9.083 4.834 -11.941 1.00 3.41 C ATOM 148 CD GLU A 10 10.216 5.267 -12.859 1.00 72.01 C ATOM 149 OE1 GLU A 10 9.969 5.439 -14.071 1.00 14.14 O ATOM 150 OE2 GLU A 10 11.355 5.451 -12.374 1.00 0.00 O ATOM 0 H GLU A 10 8.479 0.885 -12.206 1.00 20.23 H new ATOM 0 HA GLU A 10 10.712 2.670 -12.452 1.00 3.20 H new ATOM 0 HB2 GLU A 10 8.377 3.203 -13.139 1.00 31.05 H new ATOM 0 HB3 GLU A 10 7.876 3.129 -11.462 1.00 31.05 H new ATOM 0 HG2 GLU A 10 8.206 5.450 -12.137 1.00 3.41 H new ATOM 0 HG3 GLU A 10 9.372 5.011 -10.905 1.00 3.41 H new ATOM 157 N ILE A 11 9.377 2.181 -9.456 1.00 64.35 N ATOM 158 CA ILE A 11 9.645 2.200 -8.022 1.00 40.25 C ATOM 159 C ILE A 11 9.267 0.851 -7.415 1.00 71.43 C ATOM 160 O ILE A 11 8.115 0.622 -7.041 1.00 52.25 O ATOM 161 CB ILE A 11 8.873 3.345 -7.305 1.00 73.21 C ATOM 162 CG1 ILE A 11 9.260 4.710 -7.906 1.00 64.10 C ATOM 163 CG2 ILE A 11 9.142 3.322 -5.797 1.00 21.13 C ATOM 164 CD1 ILE A 11 8.528 5.884 -7.288 1.00 32.03 C ATOM 0 H ILE A 11 8.433 1.882 -9.699 1.00 64.35 H new ATOM 0 HA ILE A 11 10.710 2.384 -7.879 1.00 40.25 H new ATOM 0 HB ILE A 11 7.805 3.189 -7.459 1.00 73.21 H new ATOM 0 HG12 ILE A 11 10.333 4.859 -7.784 1.00 64.10 H new ATOM 0 HG13 ILE A 11 9.061 4.694 -8.977 1.00 64.10 H new ATOM 0 HG21 ILE A 11 8.592 4.131 -5.317 1.00 21.13 H new ATOM 0 HG22 ILE A 11 8.817 2.367 -5.384 1.00 21.13 H new ATOM 0 HG23 ILE A 11 10.209 3.451 -5.616 1.00 21.13 H new ATOM 0 HD11 ILE A 11 8.855 6.808 -7.764 1.00 32.03 H new ATOM 0 HD12 ILE A 11 7.455 5.761 -7.433 1.00 32.03 H new ATOM 0 HD13 ILE A 11 8.747 5.928 -6.221 1.00 32.03 H new ATOM 176 N MET A 12 10.239 -0.048 -7.369 1.00 21.31 N ATOM 177 CA MET A 12 10.041 -1.404 -6.861 1.00 50.41 C ATOM 178 C MET A 12 10.318 -1.463 -5.358 1.00 61.33 C ATOM 179 O MET A 12 11.421 -1.155 -4.903 1.00 14.03 O ATOM 180 CB MET A 12 10.949 -2.394 -7.617 1.00 40.35 C ATOM 181 CG MET A 12 12.423 -1.997 -7.631 1.00 52.52 C ATOM 182 SD MET A 12 12.716 -0.476 -8.558 1.00 32.22 S ATOM 183 CE MET A 12 14.419 -0.125 -8.131 1.00 64.41 C ATOM 0 H MET A 12 11.191 0.140 -7.683 1.00 21.31 H new ATOM 0 HA MET A 12 9.002 -1.687 -7.027 1.00 50.41 H new ATOM 0 HB2 MET A 12 10.853 -3.380 -7.162 1.00 40.35 H new ATOM 0 HB3 MET A 12 10.597 -2.482 -8.645 1.00 40.35 H new ATOM 0 HG2 MET A 12 12.772 -1.868 -6.606 1.00 52.52 H new ATOM 0 HG3 MET A 12 13.010 -2.805 -8.068 1.00 52.52 H new ATOM 0 HE1 MET A 12 14.739 0.789 -8.632 1.00 64.41 H new ATOM 0 HE2 MET A 12 14.505 0.003 -7.052 1.00 64.41 H new ATOM 0 HE3 MET A 12 15.052 -0.953 -8.449 1.00 64.41 H new ATOM 193 N ILE A 13 9.306 -1.848 -4.589 1.00 71.52 N ATOM 194 CA ILE A 13 9.423 -1.940 -3.136 1.00 62.41 C ATOM 195 C ILE A 13 9.461 -3.405 -2.706 1.00 24.23 C ATOM 196 O ILE A 13 8.444 -4.097 -2.748 1.00 61.34 O ATOM 197 CB ILE A 13 8.239 -1.231 -2.426 1.00 61.42 C ATOM 198 CG1 ILE A 13 8.041 0.188 -2.986 1.00 51.32 C ATOM 199 CG2 ILE A 13 8.463 -1.181 -0.910 1.00 11.04 C ATOM 200 CD1 ILE A 13 9.236 1.098 -2.801 1.00 4.04 C ATOM 0 H ILE A 13 8.387 -2.104 -4.950 1.00 71.52 H new ATOM 0 HA ILE A 13 10.349 -1.443 -2.847 1.00 62.41 H new ATOM 0 HB ILE A 13 7.335 -1.808 -2.620 1.00 61.42 H new ATOM 0 HG12 ILE A 13 7.812 0.119 -4.049 1.00 51.32 H new ATOM 0 HG13 ILE A 13 7.175 0.640 -2.502 1.00 51.32 H new ATOM 0 HG21 ILE A 13 7.620 -0.680 -0.434 1.00 11.04 H new ATOM 0 HG22 ILE A 13 8.548 -2.196 -0.521 1.00 11.04 H new ATOM 0 HG23 ILE A 13 9.380 -0.632 -0.696 1.00 11.04 H new ATOM 0 HD11 ILE A 13 9.015 2.079 -3.223 1.00 4.04 H new ATOM 0 HD12 ILE A 13 9.454 1.201 -1.738 1.00 4.04 H new ATOM 0 HD13 ILE A 13 10.101 0.671 -3.309 1.00 4.04 H new ATOM 212 N LEU A 14 10.642 -3.881 -2.322 1.00 73.51 N ATOM 213 CA LEU A 14 10.809 -5.262 -1.872 1.00 14.23 C ATOM 214 C LEU A 14 10.945 -5.306 -0.354 1.00 3.30 C ATOM 215 O LEU A 14 11.852 -4.690 0.212 1.00 23.42 O ATOM 216 CB LEU A 14 12.039 -5.916 -2.533 1.00 55.31 C ATOM 217 CG LEU A 14 11.903 -6.247 -4.033 1.00 51.41 C ATOM 218 CD1 LEU A 14 11.828 -4.980 -4.883 1.00 72.11 C ATOM 219 CD2 LEU A 14 13.054 -7.139 -4.493 1.00 72.30 C ATOM 0 H LEU A 14 11.500 -3.330 -2.313 1.00 73.51 H new ATOM 0 HA LEU A 14 9.924 -5.825 -2.169 1.00 14.23 H new ATOM 0 HB2 LEU A 14 12.893 -5.251 -2.404 1.00 55.31 H new ATOM 0 HB3 LEU A 14 12.268 -6.837 -1.997 1.00 55.31 H new ATOM 0 HG LEU A 14 10.968 -6.790 -4.169 1.00 51.41 H new ATOM 0 HD11 LEU A 14 11.733 -5.252 -5.934 1.00 72.11 H new ATOM 0 HD12 LEU A 14 10.963 -4.390 -4.581 1.00 72.11 H new ATOM 0 HD13 LEU A 14 12.735 -4.393 -4.741 1.00 72.11 H new ATOM 0 HD21 LEU A 14 12.940 -7.362 -5.554 1.00 72.30 H new ATOM 0 HD22 LEU A 14 14.001 -6.624 -4.330 1.00 72.30 H new ATOM 0 HD23 LEU A 14 13.044 -8.069 -3.924 1.00 72.30 H new ATOM 231 N ILE A 15 10.038 -6.023 0.299 1.00 1.43 N ATOM 232 CA ILE A 15 10.064 -6.169 1.751 1.00 50.15 C ATOM 233 C ILE A 15 9.529 -7.546 2.151 1.00 45.01 C ATOM 234 O ILE A 15 8.608 -8.060 1.519 1.00 74.42 O ATOM 235 CB ILE A 15 9.238 -5.047 2.439 1.00 45.10 C ATOM 236 CG1 ILE A 15 9.332 -5.160 3.971 1.00 45.22 C ATOM 237 CG2 ILE A 15 7.779 -5.081 1.976 1.00 72.12 C ATOM 238 CD1 ILE A 15 8.612 -4.053 4.716 1.00 10.14 C ATOM 0 H ILE A 15 9.270 -6.516 -0.157 1.00 1.43 H new ATOM 0 HA ILE A 15 11.098 -6.080 2.085 1.00 50.15 H new ATOM 0 HB ILE A 15 9.661 -4.086 2.145 1.00 45.10 H new ATOM 0 HG12 ILE A 15 8.919 -6.120 4.280 1.00 45.22 H new ATOM 0 HG13 ILE A 15 10.383 -5.156 4.262 1.00 45.22 H new ATOM 0 HG21 ILE A 15 7.221 -4.286 2.472 1.00 72.12 H new ATOM 0 HG22 ILE A 15 7.736 -4.936 0.897 1.00 72.12 H new ATOM 0 HG23 ILE A 15 7.339 -6.045 2.230 1.00 72.12 H new ATOM 0 HD11 ILE A 15 8.725 -4.204 5.790 1.00 10.14 H new ATOM 0 HD12 ILE A 15 9.039 -3.090 4.438 1.00 10.14 H new ATOM 0 HD13 ILE A 15 7.553 -4.069 4.457 1.00 10.14 H new ATOM 250 N GLN A 16 10.141 -8.149 3.177 1.00 14.41 N ATOM 251 CA GLN A 16 9.745 -9.479 3.667 1.00 32.45 C ATOM 252 C GLN A 16 9.801 -10.518 2.544 1.00 31.00 C ATOM 253 O GLN A 16 9.134 -11.555 2.610 1.00 41.15 O ATOM 254 CB GLN A 16 8.330 -9.437 4.276 1.00 50.03 C ATOM 255 CG GLN A 16 8.209 -8.552 5.512 1.00 72.15 C ATOM 256 CD GLN A 16 9.107 -8.999 6.649 1.00 2.03 C ATOM 257 OE1 GLN A 16 10.253 -8.570 6.756 1.00 20.40 O ATOM 258 NE2 GLN A 16 8.594 -9.871 7.503 1.00 72.21 N ATOM 0 H GLN A 16 10.919 -7.734 3.689 1.00 14.41 H new ATOM 0 HA GLN A 16 10.453 -9.771 4.443 1.00 32.45 H new ATOM 0 HB2 GLN A 16 7.631 -9.082 3.519 1.00 50.03 H new ATOM 0 HB3 GLN A 16 8.029 -10.451 4.538 1.00 50.03 H new ATOM 0 HG2 GLN A 16 8.456 -7.525 5.243 1.00 72.15 H new ATOM 0 HG3 GLN A 16 7.173 -8.552 5.852 1.00 72.15 H new ATOM 0 HE21 GLN A 16 7.638 -10.203 7.380 1.00 72.21 H new ATOM 0 HE22 GLN A 16 9.155 -10.210 8.284 1.00 72.21 H new ATOM 267 N ASN A 17 10.624 -10.241 1.532 1.00 63.24 N ATOM 268 CA ASN A 17 10.706 -11.075 0.335 1.00 14.14 C ATOM 269 C ASN A 17 9.365 -11.086 -0.383 1.00 10.14 C ATOM 270 O ASN A 17 8.794 -12.140 -0.678 1.00 33.10 O ATOM 271 CB ASN A 17 11.186 -12.500 0.664 1.00 34.11 C ATOM 272 CG ASN A 17 12.634 -12.524 1.119 1.00 50.14 C ATOM 273 OD1 ASN A 17 12.924 -12.448 2.312 1.00 11.22 O ATOM 274 ND2 ASN A 17 13.558 -12.624 0.172 1.00 75.31 N ATOM 0 H ASN A 17 11.250 -9.435 1.520 1.00 63.24 H new ATOM 0 HA ASN A 17 11.451 -10.644 -0.333 1.00 14.14 H new ATOM 0 HB2 ASN A 17 10.554 -12.924 1.445 1.00 34.11 H new ATOM 0 HB3 ASN A 17 11.073 -13.133 -0.216 1.00 34.11 H new ATOM 0 HD21 ASN A 17 14.546 -12.640 0.423 1.00 75.31 H new ATOM 0 HD22 ASN A 17 13.280 -12.685 -0.807 1.00 75.31 H new ATOM 281 N ALA A 18 8.866 -9.885 -0.634 1.00 41.51 N ATOM 282 CA ALA A 18 7.695 -9.665 -1.465 1.00 44.10 C ATOM 283 C ALA A 18 7.948 -8.446 -2.345 1.00 22.41 C ATOM 284 O ALA A 18 8.170 -7.347 -1.836 1.00 3.13 O ATOM 285 CB ALA A 18 6.452 -9.466 -0.605 1.00 34.30 C ATOM 0 H ALA A 18 9.269 -9.026 -0.261 1.00 41.51 H new ATOM 0 HA ALA A 18 7.519 -10.539 -2.092 1.00 44.10 H new ATOM 0 HB1 ALA A 18 5.587 -9.303 -1.248 1.00 34.30 H new ATOM 0 HB2 ALA A 18 6.287 -10.353 0.007 1.00 34.30 H new ATOM 0 HB3 ALA A 18 6.592 -8.600 0.042 1.00 34.30 H new ATOM 291 N GLU A 19 7.951 -8.654 -3.657 1.00 40.32 N ATOM 292 CA GLU A 19 8.276 -7.594 -4.605 1.00 24.10 C ATOM 293 C GLU A 19 7.017 -6.844 -5.034 1.00 61.11 C ATOM 294 O GLU A 19 6.121 -7.419 -5.662 1.00 63.44 O ATOM 295 CB GLU A 19 8.995 -8.188 -5.830 1.00 63.34 C ATOM 296 CG GLU A 19 9.448 -7.149 -6.853 1.00 71.23 C ATOM 297 CD GLU A 19 10.150 -7.757 -8.062 1.00 71.13 C ATOM 298 OE1 GLU A 19 9.883 -8.938 -8.384 1.00 53.14 O ATOM 299 OE2 GLU A 19 10.962 -7.053 -8.699 1.00 1.42 O ATOM 0 H GLU A 19 7.731 -9.551 -4.090 1.00 40.32 H new ATOM 0 HA GLU A 19 8.941 -6.882 -4.116 1.00 24.10 H new ATOM 0 HB2 GLU A 19 9.865 -8.750 -5.490 1.00 63.34 H new ATOM 0 HB3 GLU A 19 8.328 -8.898 -6.320 1.00 63.34 H new ATOM 0 HG2 GLU A 19 8.581 -6.582 -7.192 1.00 71.23 H new ATOM 0 HG3 GLU A 19 10.121 -6.442 -6.368 1.00 71.23 H new ATOM 306 N PHE A 20 6.944 -5.568 -4.670 1.00 52.13 N ATOM 307 CA PHE A 20 5.842 -4.693 -5.065 1.00 51.03 C ATOM 308 C PHE A 20 6.376 -3.547 -5.920 1.00 30.25 C ATOM 309 O PHE A 20 7.589 -3.379 -6.045 1.00 53.31 O ATOM 310 CB PHE A 20 5.138 -4.108 -3.830 1.00 62.53 C ATOM 311 CG PHE A 20 4.578 -5.136 -2.881 1.00 75.21 C ATOM 312 CD1 PHE A 20 3.363 -5.752 -3.145 1.00 44.23 C ATOM 313 CD2 PHE A 20 5.257 -5.473 -1.719 1.00 44.54 C ATOM 314 CE1 PHE A 20 2.839 -6.683 -2.271 1.00 2.14 C ATOM 315 CE2 PHE A 20 4.738 -6.406 -0.844 1.00 62.54 C ATOM 316 CZ PHE A 20 3.527 -7.013 -1.118 1.00 53.44 C ATOM 0 H PHE A 20 7.648 -5.109 -4.092 1.00 52.13 H new ATOM 0 HA PHE A 20 5.125 -5.284 -5.635 1.00 51.03 H new ATOM 0 HB2 PHE A 20 5.845 -3.480 -3.288 1.00 62.53 H new ATOM 0 HB3 PHE A 20 4.327 -3.460 -4.163 1.00 62.53 H new ATOM 0 HD1 PHE A 20 2.821 -5.500 -4.045 1.00 44.23 H new ATOM 0 HD2 PHE A 20 6.202 -5.000 -1.497 1.00 44.54 H new ATOM 0 HE1 PHE A 20 1.891 -7.154 -2.488 1.00 2.14 H new ATOM 0 HE2 PHE A 20 5.279 -6.662 0.055 1.00 62.54 H new ATOM 0 HZ PHE A 20 3.119 -7.743 -0.434 1.00 53.44 H new ATOM 326 N GLU A 21 5.476 -2.766 -6.507 1.00 51.23 N ATOM 327 CA GLU A 21 5.859 -1.537 -7.199 1.00 0.11 C ATOM 328 C GLU A 21 4.812 -0.455 -6.957 1.00 13.41 C ATOM 329 O GLU A 21 3.631 -0.758 -6.749 1.00 40.51 O ATOM 330 CB GLU A 21 6.040 -1.764 -8.710 1.00 15.23 C ATOM 331 CG GLU A 21 4.736 -1.996 -9.473 1.00 41.25 C ATOM 332 CD GLU A 21 4.906 -1.889 -10.985 1.00 74.23 C ATOM 333 OE1 GLU A 21 5.346 -0.817 -11.463 1.00 23.30 O ATOM 334 OE2 GLU A 21 4.595 -2.863 -11.707 1.00 4.02 O ATOM 0 H GLU A 21 4.475 -2.961 -6.518 1.00 51.23 H new ATOM 0 HA GLU A 21 6.819 -1.215 -6.795 1.00 0.11 H new ATOM 0 HB2 GLU A 21 6.548 -0.899 -9.137 1.00 15.23 H new ATOM 0 HB3 GLU A 21 6.693 -2.624 -8.861 1.00 15.23 H new ATOM 0 HG2 GLU A 21 4.347 -2.983 -9.225 1.00 41.25 H new ATOM 0 HG3 GLU A 21 3.994 -1.269 -9.144 1.00 41.25 H new ATOM 341 N LEU A 22 5.247 0.799 -6.971 1.00 51.42 N ATOM 342 CA LEU A 22 4.336 1.928 -6.823 1.00 42.45 C ATOM 343 C LEU A 22 3.608 2.174 -8.140 1.00 2.32 C ATOM 344 O LEU A 22 4.216 2.603 -9.125 1.00 33.21 O ATOM 345 CB LEU A 22 5.101 3.189 -6.388 1.00 74.55 C ATOM 346 CG LEU A 22 4.232 4.443 -6.175 1.00 12.22 C ATOM 347 CD1 LEU A 22 3.198 4.209 -5.076 1.00 25.51 C ATOM 348 CD2 LEU A 22 5.100 5.659 -5.854 1.00 32.43 C ATOM 0 H LEU A 22 6.227 1.060 -7.084 1.00 51.42 H new ATOM 0 HA LEU A 22 3.605 1.693 -6.049 1.00 42.45 H new ATOM 0 HB2 LEU A 22 5.630 2.971 -5.460 1.00 74.55 H new ATOM 0 HB3 LEU A 22 5.857 3.414 -7.141 1.00 74.55 H new ATOM 0 HG LEU A 22 3.698 4.644 -7.104 1.00 12.22 H new ATOM 0 HD11 LEU A 22 2.597 5.109 -4.944 1.00 25.51 H new ATOM 0 HD12 LEU A 22 2.551 3.378 -5.356 1.00 25.51 H new ATOM 0 HD13 LEU A 22 3.707 3.973 -4.142 1.00 25.51 H new ATOM 0 HD21 LEU A 22 4.464 6.532 -5.708 1.00 32.43 H new ATOM 0 HD22 LEU A 22 5.670 5.469 -4.945 1.00 32.43 H new ATOM 0 HD23 LEU A 22 5.786 5.845 -6.680 1.00 32.43 H new ATOM 360 N VAL A 23 2.317 1.868 -8.162 1.00 11.45 N ATOM 361 CA VAL A 23 1.513 2.005 -9.375 1.00 74.14 C ATOM 362 C VAL A 23 0.651 3.263 -9.340 1.00 2.34 C ATOM 363 O VAL A 23 0.200 3.741 -10.386 1.00 13.24 O ATOM 364 CB VAL A 23 0.603 0.774 -9.593 1.00 43.11 C ATOM 365 CG1 VAL A 23 1.439 -0.484 -9.791 1.00 24.43 C ATOM 366 CG2 VAL A 23 -0.375 0.599 -8.431 1.00 34.21 C ATOM 0 H VAL A 23 1.801 1.522 -7.353 1.00 11.45 H new ATOM 0 HA VAL A 23 2.216 2.081 -10.204 1.00 74.14 H new ATOM 0 HB VAL A 23 0.019 0.943 -10.498 1.00 43.11 H new ATOM 0 HG11 VAL A 23 0.780 -1.339 -9.943 1.00 24.43 H new ATOM 0 HG12 VAL A 23 2.080 -0.361 -10.664 1.00 24.43 H new ATOM 0 HG13 VAL A 23 2.056 -0.654 -8.908 1.00 24.43 H new ATOM 0 HG21 VAL A 23 -1.002 -0.274 -8.612 1.00 34.21 H new ATOM 0 HG22 VAL A 23 0.182 0.460 -7.504 1.00 34.21 H new ATOM 0 HG23 VAL A 23 -1.003 1.486 -8.347 1.00 34.21 H new ATOM 376 N HIS A 24 0.422 3.796 -8.141 1.00 4.21 N ATOM 377 CA HIS A 24 -0.432 4.969 -7.972 1.00 71.01 C ATOM 378 C HIS A 24 0.005 5.785 -6.760 1.00 53.40 C ATOM 379 O HIS A 24 0.224 5.236 -5.677 1.00 3.55 O ATOM 380 CB HIS A 24 -1.891 4.518 -7.813 1.00 65.33 C ATOM 381 CG HIS A 24 -2.878 5.636 -7.640 1.00 24.23 C ATOM 382 ND1 HIS A 24 -2.920 6.751 -8.449 1.00 54.03 N ATOM 383 CD2 HIS A 24 -3.873 5.800 -6.736 1.00 75.43 C ATOM 384 CE1 HIS A 24 -3.890 7.549 -8.048 1.00 34.21 C ATOM 385 NE2 HIS A 24 -4.487 6.995 -7.010 1.00 64.43 N ATOM 0 H HIS A 24 0.816 3.434 -7.273 1.00 4.21 H new ATOM 0 HA HIS A 24 -0.343 5.602 -8.855 1.00 71.01 H new ATOM 0 HB2 HIS A 24 -2.174 3.934 -8.689 1.00 65.33 H new ATOM 0 HB3 HIS A 24 -1.960 3.854 -6.951 1.00 65.33 H new ATOM 0 HD1 HIS A 24 -2.297 6.931 -9.236 1.00 54.03 H new ATOM 0 HD2 HIS A 24 -4.135 5.114 -5.944 1.00 75.43 H new ATOM 0 HE1 HIS A 24 -4.152 8.497 -8.494 1.00 34.21 H new ATOM 394 N ASN A 25 0.120 7.094 -6.947 1.00 20.21 N ATOM 395 CA ASN A 25 0.489 8.008 -5.868 1.00 4.41 C ATOM 396 C ASN A 25 -0.465 9.199 -5.886 1.00 53.11 C ATOM 397 O ASN A 25 -0.926 9.615 -6.953 1.00 15.01 O ATOM 398 CB ASN A 25 1.943 8.487 -6.040 1.00 51.21 C ATOM 399 CG ASN A 25 2.500 9.193 -4.807 1.00 34.42 C ATOM 400 OD1 ASN A 25 1.759 9.734 -3.986 1.00 21.40 O ATOM 401 ND2 ASN A 25 3.821 9.209 -4.681 1.00 74.23 N ATOM 0 H ASN A 25 -0.038 7.552 -7.845 1.00 20.21 H new ATOM 0 HA ASN A 25 0.415 7.491 -4.911 1.00 4.41 H new ATOM 0 HB2 ASN A 25 2.574 7.630 -6.275 1.00 51.21 H new ATOM 0 HB3 ASN A 25 1.996 9.165 -6.892 1.00 51.21 H new ATOM 0 HD21 ASN A 25 4.252 9.680 -3.885 1.00 74.23 H new ATOM 0 HD22 ASN A 25 4.406 8.751 -5.380 1.00 74.23 H new ATOM 408 N PHE A 26 -0.769 9.738 -4.714 1.00 51.33 N ATOM 409 CA PHE A 26 -1.701 10.851 -4.591 1.00 63.23 C ATOM 410 C PHE A 26 -1.141 11.879 -3.612 1.00 23.02 C ATOM 411 O PHE A 26 -0.962 11.573 -2.431 1.00 72.25 O ATOM 412 CB PHE A 26 -3.060 10.322 -4.111 1.00 32.10 C ATOM 413 CG PHE A 26 -4.181 11.331 -4.153 1.00 22.23 C ATOM 414 CD1 PHE A 26 -4.765 11.685 -5.362 1.00 31.44 C ATOM 415 CD2 PHE A 26 -4.662 11.912 -2.986 1.00 21.44 C ATOM 416 CE1 PHE A 26 -5.802 12.597 -5.404 1.00 34.31 C ATOM 417 CE2 PHE A 26 -5.704 12.820 -3.026 1.00 72.15 C ATOM 418 CZ PHE A 26 -6.272 13.165 -4.236 1.00 72.23 C ATOM 0 H PHE A 26 -0.380 9.419 -3.827 1.00 51.33 H new ATOM 0 HA PHE A 26 -1.836 11.335 -5.558 1.00 63.23 H new ATOM 0 HB2 PHE A 26 -3.338 9.465 -4.724 1.00 32.10 H new ATOM 0 HB3 PHE A 26 -2.953 9.961 -3.088 1.00 32.10 H new ATOM 0 HD1 PHE A 26 -4.405 11.243 -6.279 1.00 31.44 H new ATOM 0 HD2 PHE A 26 -4.217 11.651 -2.037 1.00 21.44 H new ATOM 0 HE1 PHE A 26 -6.246 12.866 -6.351 1.00 34.31 H new ATOM 0 HE2 PHE A 26 -6.073 13.259 -2.111 1.00 72.15 H new ATOM 0 HZ PHE A 26 -7.083 13.878 -4.269 1.00 72.23 H new ATOM 428 N LYS A 27 -0.830 13.077 -4.119 1.00 4.12 N ATOM 429 CA LYS A 27 -0.270 14.159 -3.297 1.00 40.23 C ATOM 430 C LYS A 27 1.060 13.738 -2.669 1.00 2.23 C ATOM 431 O LYS A 27 1.441 14.239 -1.609 1.00 31.42 O ATOM 432 CB LYS A 27 -1.269 14.599 -2.204 1.00 22.11 C ATOM 433 CG LYS A 27 -2.329 15.590 -2.678 1.00 42.44 C ATOM 434 CD LYS A 27 -3.091 15.078 -3.896 1.00 15.24 C ATOM 435 CE LYS A 27 -4.131 16.081 -4.381 1.00 24.01 C ATOM 436 NZ LYS A 27 -3.528 17.407 -4.682 1.00 14.44 N ATOM 0 H LYS A 27 -0.957 13.324 -5.100 1.00 4.12 H new ATOM 0 HA LYS A 27 -0.084 15.010 -3.952 1.00 40.23 H new ATOM 0 HB2 LYS A 27 -1.768 13.714 -1.808 1.00 22.11 H new ATOM 0 HB3 LYS A 27 -0.713 15.047 -1.380 1.00 22.11 H new ATOM 0 HG2 LYS A 27 -3.031 15.784 -1.867 1.00 42.44 H new ATOM 0 HG3 LYS A 27 -1.853 16.540 -2.922 1.00 42.44 H new ATOM 0 HD2 LYS A 27 -2.388 14.867 -4.701 1.00 15.24 H new ATOM 0 HD3 LYS A 27 -3.583 14.137 -3.647 1.00 15.24 H new ATOM 0 HE2 LYS A 27 -4.619 15.693 -5.275 1.00 24.01 H new ATOM 0 HE3 LYS A 27 -4.904 16.198 -3.621 1.00 24.01 H new ATOM 0 HZ1 LYS A 27 -4.205 17.981 -5.225 1.00 14.44 H new ATOM 0 HZ2 LYS A 27 -3.297 17.893 -3.792 1.00 14.44 H new ATOM 0 HZ3 LYS A 27 -2.660 17.275 -5.240 1.00 14.44 H new ATOM 450 N ASP A 28 1.766 12.832 -3.348 1.00 3.32 N ATOM 451 CA ASP A 28 3.050 12.311 -2.873 1.00 72.14 C ATOM 452 C ASP A 28 2.895 11.653 -1.506 1.00 1.12 C ATOM 453 O ASP A 28 3.802 11.696 -0.668 1.00 4.21 O ATOM 454 CB ASP A 28 4.112 13.420 -2.821 1.00 0.01 C ATOM 455 CG ASP A 28 4.486 13.937 -4.202 1.00 64.21 C ATOM 456 OD1 ASP A 28 5.185 13.212 -4.945 1.00 33.42 O ATOM 457 OD2 ASP A 28 4.087 15.071 -4.552 1.00 71.01 O ATOM 0 H ASP A 28 1.465 12.439 -4.240 1.00 3.32 H new ATOM 0 HA ASP A 28 3.386 11.555 -3.582 1.00 72.14 H new ATOM 0 HB2 ASP A 28 3.739 14.247 -2.216 1.00 0.01 H new ATOM 0 HB3 ASP A 28 5.005 13.040 -2.325 1.00 0.01 H new ATOM 462 N GLY A 29 1.741 11.023 -1.304 1.00 1.14 N ATOM 463 CA GLY A 29 1.458 10.333 -0.059 1.00 75.41 C ATOM 464 C GLY A 29 2.330 9.108 0.138 1.00 3.40 C ATOM 465 O GLY A 29 2.388 8.552 1.238 1.00 52.15 O ATOM 0 H GLY A 29 0.988 10.979 -1.991 1.00 1.14 H new ATOM 0 HA2 GLY A 29 1.607 11.019 0.775 1.00 75.41 H new ATOM 0 HA3 GLY A 29 0.410 10.035 -0.043 1.00 75.41 H new ATOM 469 N PHE A 30 2.998 8.674 -0.930 1.00 53.11 N ATOM 470 CA PHE A 30 3.909 7.537 -0.858 1.00 40.12 C ATOM 471 C PHE A 30 5.074 7.843 0.078 1.00 12.44 C ATOM 472 O PHE A 30 5.838 8.785 -0.149 1.00 53.21 O ATOM 473 CB PHE A 30 4.435 7.159 -2.250 1.00 71.05 C ATOM 474 CG PHE A 30 5.467 6.058 -2.220 1.00 11.41 C ATOM 475 CD1 PHE A 30 5.098 4.753 -1.926 1.00 65.15 C ATOM 476 CD2 PHE A 30 6.804 6.330 -2.471 1.00 35.44 C ATOM 477 CE1 PHE A 30 6.039 3.744 -1.887 1.00 52.30 C ATOM 478 CE2 PHE A 30 7.751 5.323 -2.431 1.00 31.24 C ATOM 479 CZ PHE A 30 7.366 4.030 -2.139 1.00 52.33 C ATOM 0 H PHE A 30 2.924 9.095 -1.856 1.00 53.11 H new ATOM 0 HA PHE A 30 3.352 6.688 -0.462 1.00 40.12 H new ATOM 0 HB2 PHE A 30 3.598 6.846 -2.874 1.00 71.05 H new ATOM 0 HB3 PHE A 30 4.869 8.042 -2.719 1.00 71.05 H new ATOM 0 HD1 PHE A 30 4.062 4.524 -1.725 1.00 65.15 H new ATOM 0 HD2 PHE A 30 7.109 7.340 -2.700 1.00 35.44 H new ATOM 0 HE1 PHE A 30 5.738 2.732 -1.660 1.00 52.30 H new ATOM 0 HE2 PHE A 30 8.789 5.548 -2.628 1.00 31.24 H new ATOM 0 HZ PHE A 30 8.103 3.241 -2.108 1.00 52.33 H new ATOM 489 N ASN A 31 5.199 7.036 1.122 1.00 1.25 N ATOM 490 CA ASN A 31 6.249 7.199 2.120 1.00 4.00 C ATOM 491 C ASN A 31 6.808 5.825 2.482 1.00 71.04 C ATOM 492 O ASN A 31 6.137 5.037 3.146 1.00 62.32 O ATOM 493 CB ASN A 31 5.678 7.909 3.359 1.00 62.22 C ATOM 494 CG ASN A 31 6.723 8.214 4.419 1.00 11.33 C ATOM 495 OD1 ASN A 31 7.691 7.478 4.589 1.00 13.22 O ATOM 496 ND2 ASN A 31 6.524 9.303 5.149 1.00 24.50 N ATOM 0 H ASN A 31 4.575 6.249 1.302 1.00 1.25 H new ATOM 0 HA ASN A 31 7.057 7.812 1.721 1.00 4.00 H new ATOM 0 HB2 ASN A 31 5.205 8.840 3.048 1.00 62.22 H new ATOM 0 HB3 ASN A 31 4.898 7.286 3.798 1.00 62.22 H new ATOM 0 HD21 ASN A 31 7.188 9.554 5.882 1.00 24.50 H new ATOM 0 HD22 ASN A 31 5.707 9.890 4.978 1.00 24.50 H new ATOM 503 N GLU A 32 8.026 5.546 2.029 1.00 43.24 N ATOM 504 CA GLU A 32 8.617 4.214 2.148 1.00 31.13 C ATOM 505 C GLU A 32 8.941 3.869 3.600 1.00 31.24 C ATOM 506 O GLU A 32 8.609 2.776 4.072 1.00 74.14 O ATOM 507 CB GLU A 32 9.885 4.124 1.287 1.00 51.54 C ATOM 508 CG GLU A 32 10.546 2.750 1.292 1.00 12.13 C ATOM 509 CD GLU A 32 11.783 2.697 0.410 1.00 1.35 C ATOM 510 OE1 GLU A 32 12.862 3.133 0.864 1.00 40.34 O ATOM 511 OE2 GLU A 32 11.688 2.216 -0.738 1.00 14.33 O ATOM 0 H GLU A 32 8.629 6.230 1.572 1.00 43.24 H new ATOM 0 HA GLU A 32 7.884 3.490 1.791 1.00 31.13 H new ATOM 0 HB2 GLU A 32 9.634 4.390 0.260 1.00 51.54 H new ATOM 0 HB3 GLU A 32 10.604 4.862 1.641 1.00 51.54 H new ATOM 0 HG2 GLU A 32 10.820 2.486 2.313 1.00 12.13 H new ATOM 0 HG3 GLU A 32 9.828 2.004 0.951 1.00 12.13 H new ATOM 518 N GLU A 33 9.582 4.797 4.311 1.00 1.43 N ATOM 519 CA GLU A 33 9.981 4.548 5.695 1.00 45.43 C ATOM 520 C GLU A 33 8.754 4.300 6.576 1.00 31.12 C ATOM 521 O GLU A 33 8.731 3.357 7.369 1.00 3.40 O ATOM 522 CB GLU A 33 10.828 5.707 6.251 1.00 14.44 C ATOM 523 CG GLU A 33 10.129 7.060 6.243 1.00 22.22 C ATOM 524 CD GLU A 33 10.967 8.161 6.869 1.00 14.31 C ATOM 525 OE1 GLU A 33 10.927 8.317 8.106 1.00 25.45 O ATOM 526 OE2 GLU A 33 11.668 8.884 6.127 1.00 35.54 O ATOM 0 H GLU A 33 9.834 5.719 3.955 1.00 1.43 H new ATOM 0 HA GLU A 33 10.599 3.650 5.707 1.00 45.43 H new ATOM 0 HB2 GLU A 33 11.120 5.469 7.274 1.00 14.44 H new ATOM 0 HB3 GLU A 33 11.745 5.783 5.667 1.00 14.44 H new ATOM 0 HG2 GLU A 33 9.888 7.333 5.216 1.00 22.22 H new ATOM 0 HG3 GLU A 33 9.184 6.979 6.781 1.00 22.22 H new ATOM 533 N ALA A 34 7.724 5.125 6.407 1.00 31.15 N ATOM 534 CA ALA A 34 6.494 4.983 7.179 1.00 45.41 C ATOM 535 C ALA A 34 5.709 3.751 6.723 1.00 52.31 C ATOM 536 O ALA A 34 5.019 3.111 7.517 1.00 63.10 O ATOM 537 CB ALA A 34 5.646 6.245 7.071 1.00 70.03 C ATOM 0 H ALA A 34 7.717 5.899 5.742 1.00 31.15 H new ATOM 0 HA ALA A 34 6.758 4.843 8.227 1.00 45.41 H new ATOM 0 HB1 ALA A 34 4.733 6.121 7.653 1.00 70.03 H new ATOM 0 HB2 ALA A 34 6.209 7.095 7.456 1.00 70.03 H new ATOM 0 HB3 ALA A 34 5.389 6.423 6.027 1.00 70.03 H new ATOM 543 N PHE A 35 5.834 3.427 5.434 1.00 45.11 N ATOM 544 CA PHE A 35 5.226 2.224 4.863 1.00 74.34 C ATOM 545 C PHE A 35 5.728 0.979 5.588 1.00 24.21 C ATOM 546 O PHE A 35 4.953 0.246 6.202 1.00 53.45 O ATOM 547 CB PHE A 35 5.546 2.134 3.357 1.00 3.24 C ATOM 548 CG PHE A 35 5.315 0.773 2.741 1.00 64.44 C ATOM 549 CD1 PHE A 35 4.044 0.373 2.356 1.00 62.43 C ATOM 550 CD2 PHE A 35 6.376 -0.104 2.542 1.00 42.20 C ATOM 551 CE1 PHE A 35 3.837 -0.872 1.791 1.00 34.34 C ATOM 552 CE2 PHE A 35 6.172 -1.347 1.980 1.00 13.43 C ATOM 553 CZ PHE A 35 4.901 -1.732 1.604 1.00 43.04 C ATOM 0 H PHE A 35 6.356 3.988 4.761 1.00 45.11 H new ATOM 0 HA PHE A 35 4.145 2.284 4.989 1.00 74.34 H new ATOM 0 HB2 PHE A 35 4.937 2.866 2.826 1.00 3.24 H new ATOM 0 HB3 PHE A 35 6.588 2.415 3.204 1.00 3.24 H new ATOM 0 HD1 PHE A 35 3.207 1.041 2.499 1.00 62.43 H new ATOM 0 HD2 PHE A 35 7.373 0.192 2.832 1.00 42.20 H new ATOM 0 HE1 PHE A 35 2.842 -1.172 1.496 1.00 34.34 H new ATOM 0 HE2 PHE A 35 7.006 -2.018 1.834 1.00 13.43 H new ATOM 0 HZ PHE A 35 4.739 -2.705 1.164 1.00 43.04 H new ATOM 563 N LYS A 36 7.038 0.766 5.533 1.00 13.54 N ATOM 564 CA LYS A 36 7.648 -0.430 6.105 1.00 33.50 C ATOM 565 C LYS A 36 7.571 -0.406 7.632 1.00 71.33 C ATOM 566 O LYS A 36 7.658 -1.449 8.282 1.00 13.41 O ATOM 567 CB LYS A 36 9.099 -0.576 5.612 1.00 21.33 C ATOM 568 CG LYS A 36 10.037 0.554 6.033 1.00 31.40 C ATOM 569 CD LYS A 36 11.132 0.802 4.989 1.00 31.33 C ATOM 570 CE LYS A 36 11.888 -0.473 4.616 1.00 44.40 C ATOM 571 NZ LYS A 36 12.642 -1.051 5.764 1.00 15.44 N ATOM 0 H LYS A 36 7.700 1.408 5.097 1.00 13.54 H new ATOM 0 HA LYS A 36 7.089 -1.303 5.767 1.00 33.50 H new ATOM 0 HB2 LYS A 36 9.500 -1.519 5.983 1.00 21.33 H new ATOM 0 HB3 LYS A 36 9.093 -0.638 4.524 1.00 21.33 H new ATOM 0 HG2 LYS A 36 9.462 1.468 6.181 1.00 31.40 H new ATOM 0 HG3 LYS A 36 10.496 0.308 6.990 1.00 31.40 H new ATOM 0 HD2 LYS A 36 10.684 1.230 4.092 1.00 31.33 H new ATOM 0 HD3 LYS A 36 11.837 1.538 5.375 1.00 31.33 H new ATOM 0 HE2 LYS A 36 11.181 -1.213 4.241 1.00 44.40 H new ATOM 0 HE3 LYS A 36 12.582 -0.255 3.804 1.00 44.40 H new ATOM 0 HZ1 LYS A 36 13.136 -1.913 5.456 1.00 15.44 H new ATOM 0 HZ2 LYS A 36 13.337 -0.358 6.107 1.00 15.44 H new ATOM 0 HZ3 LYS A 36 11.980 -1.286 6.531 1.00 15.44 H new ATOM 585 N ALA A 37 7.383 0.786 8.195 1.00 44.02 N ATOM 586 CA ALA A 37 7.192 0.936 9.635 1.00 2.13 C ATOM 587 C ALA A 37 5.799 0.459 10.049 1.00 33.11 C ATOM 588 O ALA A 37 5.596 0.001 11.177 1.00 42.52 O ATOM 589 CB ALA A 37 7.406 2.387 10.055 1.00 60.40 C ATOM 0 H ALA A 37 7.359 1.663 7.674 1.00 44.02 H new ATOM 0 HA ALA A 37 7.931 0.316 10.143 1.00 2.13 H new ATOM 0 HB1 ALA A 37 7.260 2.480 11.131 1.00 60.40 H new ATOM 0 HB2 ALA A 37 8.420 2.694 9.799 1.00 60.40 H new ATOM 0 HB3 ALA A 37 6.692 3.025 9.535 1.00 60.40 H new ATOM 595 N ARG A 38 4.840 0.574 9.132 1.00 31.41 N ATOM 596 CA ARG A 38 3.463 0.146 9.385 1.00 54.11 C ATOM 597 C ARG A 38 3.175 -1.211 8.746 1.00 3.32 C ATOM 598 O ARG A 38 2.126 -1.808 8.993 1.00 12.53 O ATOM 599 CB ARG A 38 2.463 1.188 8.854 1.00 72.42 C ATOM 600 CG ARG A 38 2.383 2.463 9.687 1.00 61.23 C ATOM 601 CD ARG A 38 2.023 2.165 11.139 1.00 73.14 C ATOM 602 NE ARG A 38 0.855 1.279 11.261 1.00 1.33 N ATOM 603 CZ ARG A 38 0.165 1.086 12.392 1.00 3.14 C ATOM 604 NH1 ARG A 38 0.469 1.762 13.492 1.00 34.41 N ATOM 605 NH2 ARG A 38 -0.840 0.219 12.422 1.00 52.31 N ATOM 0 H ARG A 38 4.992 0.962 8.201 1.00 31.41 H new ATOM 0 HA ARG A 38 3.345 0.053 10.465 1.00 54.11 H new ATOM 0 HB2 ARG A 38 2.739 1.452 7.833 1.00 72.42 H new ATOM 0 HB3 ARG A 38 1.473 0.734 8.809 1.00 72.42 H new ATOM 0 HG2 ARG A 38 3.340 2.984 9.649 1.00 61.23 H new ATOM 0 HG3 ARG A 38 1.638 3.133 9.257 1.00 61.23 H new ATOM 0 HD2 ARG A 38 2.878 1.704 11.634 1.00 73.14 H new ATOM 0 HD3 ARG A 38 1.820 3.101 11.659 1.00 73.14 H new ATOM 0 HE ARG A 38 0.550 0.777 10.427 1.00 1.33 H new ATOM 0 HH11 ARG A 38 1.234 2.436 13.481 1.00 34.41 H new ATOM 0 HH12 ARG A 38 -0.063 1.608 14.349 1.00 34.41 H new ATOM 0 HH21 ARG A 38 -1.089 -0.303 11.582 1.00 52.31 H new ATOM 0 HH22 ARG A 38 -1.363 0.075 13.285 1.00 52.31 H new ATOM 619 N TYR A 39 4.099 -1.684 7.915 1.00 73.42 N ATOM 620 CA TYR A 39 3.915 -2.949 7.210 1.00 14.04 C ATOM 621 C TYR A 39 3.904 -4.123 8.184 1.00 65.31 C ATOM 622 O TYR A 39 4.842 -4.307 8.964 1.00 23.35 O ATOM 623 CB TYR A 39 5.008 -3.152 6.152 1.00 23.33 C ATOM 624 CG TYR A 39 4.823 -4.418 5.328 1.00 41.11 C ATOM 625 CD1 TYR A 39 4.040 -4.418 4.176 1.00 64.32 C ATOM 626 CD2 TYR A 39 5.423 -5.616 5.710 1.00 53.45 C ATOM 627 CE1 TYR A 39 3.865 -5.571 3.432 1.00 20.53 C ATOM 628 CE2 TYR A 39 5.248 -6.768 4.972 1.00 72.32 C ATOM 629 CZ TYR A 39 4.471 -6.743 3.836 1.00 1.54 C ATOM 630 OH TYR A 39 4.298 -7.898 3.108 1.00 40.21 O ATOM 0 H TYR A 39 4.981 -1.212 7.713 1.00 73.42 H new ATOM 0 HA TYR A 39 2.949 -2.908 6.708 1.00 14.04 H new ATOM 0 HB2 TYR A 39 5.021 -2.291 5.484 1.00 23.33 H new ATOM 0 HB3 TYR A 39 5.979 -3.187 6.646 1.00 23.33 H new ATOM 0 HD1 TYR A 39 3.562 -3.503 3.859 1.00 64.32 H new ATOM 0 HD2 TYR A 39 6.036 -5.643 6.599 1.00 53.45 H new ATOM 0 HE1 TYR A 39 3.257 -5.554 2.539 1.00 20.53 H new ATOM 0 HE2 TYR A 39 5.720 -7.688 5.285 1.00 72.32 H new ATOM 0 HH TYR A 39 4.966 -8.561 3.383 1.00 40.21 H new ATOM 640 N SER A 40 2.835 -4.909 8.125 1.00 61.21 N ATOM 641 CA SER A 40 2.705 -6.117 8.929 1.00 22.12 C ATOM 642 C SER A 40 2.559 -7.324 8.000 1.00 1.12 C ATOM 643 O SER A 40 2.073 -7.186 6.874 1.00 72.42 O ATOM 644 CB SER A 40 1.495 -5.993 9.867 1.00 30.12 C ATOM 645 OG SER A 40 1.441 -7.069 10.791 1.00 14.52 O ATOM 0 H SER A 40 2.035 -4.726 7.519 1.00 61.21 H new ATOM 0 HA SER A 40 3.595 -6.253 9.544 1.00 22.12 H new ATOM 0 HB2 SER A 40 1.549 -5.049 10.409 1.00 30.12 H new ATOM 0 HB3 SER A 40 0.578 -5.971 9.279 1.00 30.12 H new ATOM 0 HG SER A 40 0.661 -6.960 11.375 1.00 14.52 H new ATOM 651 N ASP A 41 2.980 -8.497 8.468 1.00 21.54 N ATOM 652 CA ASP A 41 2.995 -9.706 7.635 1.00 64.52 C ATOM 653 C ASP A 41 1.595 -10.069 7.132 1.00 24.14 C ATOM 654 O ASP A 41 1.447 -10.697 6.083 1.00 22.11 O ATOM 655 CB ASP A 41 3.597 -10.891 8.406 1.00 11.33 C ATOM 656 CG ASP A 41 5.071 -10.695 8.739 1.00 34.10 C ATOM 657 OD1 ASP A 41 5.930 -10.949 7.862 1.00 35.51 O ATOM 658 OD2 ASP A 41 5.383 -10.295 9.882 1.00 4.05 O ATOM 0 H ASP A 41 3.316 -8.640 9.420 1.00 21.54 H new ATOM 0 HA ASP A 41 3.619 -9.490 6.768 1.00 64.52 H new ATOM 0 HB2 ASP A 41 3.038 -11.039 9.330 1.00 11.33 H new ATOM 0 HB3 ASP A 41 3.481 -11.799 7.815 1.00 11.33 H new ATOM 663 N ILE A 42 0.567 -9.669 7.880 1.00 13.43 N ATOM 664 CA ILE A 42 -0.822 -9.932 7.493 1.00 30.11 C ATOM 665 C ILE A 42 -1.134 -9.338 6.114 1.00 35.23 C ATOM 666 O ILE A 42 -1.935 -9.883 5.356 1.00 41.15 O ATOM 667 CB ILE A 42 -1.820 -9.364 8.542 1.00 25.33 C ATOM 668 CG1 ILE A 42 -3.280 -9.637 8.127 1.00 52.35 C ATOM 669 CG2 ILE A 42 -1.595 -7.867 8.759 1.00 12.15 C ATOM 670 CD1 ILE A 42 -3.610 -11.107 7.951 1.00 30.14 C ATOM 0 H ILE A 42 0.668 -9.161 8.759 1.00 13.43 H new ATOM 0 HA ILE A 42 -0.941 -11.015 7.447 1.00 30.11 H new ATOM 0 HB ILE A 42 -1.634 -9.878 9.485 1.00 25.33 H new ATOM 0 HG12 ILE A 42 -3.945 -9.214 8.880 1.00 52.35 H new ATOM 0 HG13 ILE A 42 -3.484 -9.115 7.192 1.00 52.35 H new ATOM 0 HG21 ILE A 42 -2.306 -7.495 9.497 1.00 12.15 H new ATOM 0 HG22 ILE A 42 -0.579 -7.700 9.117 1.00 12.15 H new ATOM 0 HG23 ILE A 42 -1.739 -7.337 7.817 1.00 12.15 H new ATOM 0 HD11 ILE A 42 -4.655 -11.213 7.659 1.00 30.14 H new ATOM 0 HD12 ILE A 42 -2.972 -11.533 7.177 1.00 30.14 H new ATOM 0 HD13 ILE A 42 -3.441 -11.633 8.891 1.00 30.14 H new ATOM 682 N LEU A 43 -0.471 -8.238 5.789 1.00 65.22 N ATOM 683 CA LEU A 43 -0.729 -7.519 4.544 1.00 52.14 C ATOM 684 C LEU A 43 -0.100 -8.235 3.348 1.00 61.32 C ATOM 685 O LEU A 43 -0.457 -7.981 2.198 1.00 75.11 O ATOM 686 CB LEU A 43 -0.200 -6.085 4.656 1.00 52.30 C ATOM 687 CG LEU A 43 -0.812 -5.258 5.800 1.00 31.43 C ATOM 688 CD1 LEU A 43 -0.156 -3.886 5.881 1.00 44.24 C ATOM 689 CD2 LEU A 43 -2.326 -5.126 5.626 1.00 23.43 C ATOM 0 H LEU A 43 0.254 -7.820 6.372 1.00 65.22 H new ATOM 0 HA LEU A 43 -1.806 -7.490 4.379 1.00 52.14 H new ATOM 0 HB2 LEU A 43 0.881 -6.121 4.791 1.00 52.30 H new ATOM 0 HB3 LEU A 43 -0.387 -5.569 3.714 1.00 52.30 H new ATOM 0 HG LEU A 43 -0.624 -5.782 6.737 1.00 31.43 H new ATOM 0 HD11 LEU A 43 -0.603 -3.317 6.696 1.00 44.24 H new ATOM 0 HD12 LEU A 43 0.912 -4.004 6.063 1.00 44.24 H new ATOM 0 HD13 LEU A 43 -0.307 -3.354 4.942 1.00 44.24 H new ATOM 0 HD21 LEU A 43 -2.737 -4.537 6.446 1.00 23.43 H new ATOM 0 HD22 LEU A 43 -2.542 -4.630 4.680 1.00 23.43 H new ATOM 0 HD23 LEU A 43 -2.780 -6.117 5.628 1.00 23.43 H new ATOM 701 N ASN A 44 0.812 -9.156 3.632 1.00 43.50 N ATOM 702 CA ASN A 44 1.566 -9.853 2.590 1.00 1.02 C ATOM 703 C ASN A 44 0.673 -10.784 1.767 1.00 30.32 C ATOM 704 O ASN A 44 0.995 -11.110 0.626 1.00 71.11 O ATOM 705 CB ASN A 44 2.722 -10.643 3.220 1.00 33.12 C ATOM 706 CG ASN A 44 3.590 -11.352 2.193 1.00 22.54 C ATOM 707 OD1 ASN A 44 4.571 -10.645 1.653 1.00 73.23 O flip ATOM 708 ND2 ASN A 44 3.385 -12.527 1.888 1.00 13.22 N flip ATOM 0 H ASN A 44 1.051 -9.441 4.582 1.00 43.50 H new ATOM 0 HA ASN A 44 1.968 -9.102 1.910 1.00 1.02 H new ATOM 0 HB2 ASN A 44 3.343 -9.963 3.804 1.00 33.12 H new ATOM 0 HB3 ASN A 44 2.315 -11.379 3.913 1.00 33.12 H new ATOM 0 HD21 ASN A 44 2.620 -13.041 2.324 1.00 13.22 H new ATOM 0 HD22 ASN A 44 3.980 -12.986 1.199 1.00 13.22 H new ATOM 715 N LYS A 45 -0.455 -11.199 2.343 1.00 74.24 N ATOM 716 CA LYS A 45 -1.361 -12.138 1.671 1.00 24.14 C ATOM 717 C LYS A 45 -2.363 -11.412 0.772 1.00 55.03 C ATOM 718 O LYS A 45 -3.162 -12.049 0.084 1.00 54.52 O ATOM 719 CB LYS A 45 -2.112 -13.002 2.697 1.00 22.33 C ATOM 720 CG LYS A 45 -3.040 -12.217 3.624 1.00 35.42 C ATOM 721 CD LYS A 45 -3.915 -13.138 4.473 1.00 12.22 C ATOM 722 CE LYS A 45 -3.089 -14.043 5.380 1.00 44.03 C ATOM 723 NZ LYS A 45 -3.943 -15.019 6.109 1.00 41.44 N ATOM 0 H LYS A 45 -0.765 -10.903 3.269 1.00 74.24 H new ATOM 0 HA LYS A 45 -0.746 -12.783 1.043 1.00 24.14 H new ATOM 0 HB2 LYS A 45 -2.699 -13.750 2.164 1.00 22.33 H new ATOM 0 HB3 LYS A 45 -1.384 -13.541 3.303 1.00 22.33 H new ATOM 0 HG2 LYS A 45 -2.445 -11.579 4.277 1.00 35.42 H new ATOM 0 HG3 LYS A 45 -3.675 -11.560 3.030 1.00 35.42 H new ATOM 0 HD2 LYS A 45 -4.590 -12.536 5.081 1.00 12.22 H new ATOM 0 HD3 LYS A 45 -4.536 -13.751 3.819 1.00 12.22 H new ATOM 0 HE2 LYS A 45 -2.351 -14.580 4.784 1.00 44.03 H new ATOM 0 HE3 LYS A 45 -2.538 -13.434 6.097 1.00 44.03 H new ATOM 0 HZ1 LYS A 45 -3.346 -15.617 6.716 1.00 41.44 H new ATOM 0 HZ2 LYS A 45 -4.631 -14.507 6.697 1.00 41.44 H new ATOM 0 HZ3 LYS A 45 -4.449 -15.616 5.425 1.00 41.44 H new ATOM 737 N TYR A 46 -2.336 -10.083 0.796 1.00 22.15 N ATOM 738 CA TYR A 46 -3.237 -9.282 -0.034 1.00 71.32 C ATOM 739 C TYR A 46 -2.621 -9.022 -1.405 1.00 5.21 C ATOM 740 O TYR A 46 -3.318 -9.044 -2.423 1.00 1.11 O ATOM 741 CB TYR A 46 -3.569 -7.953 0.654 1.00 70.53 C ATOM 742 CG TYR A 46 -4.440 -8.100 1.891 1.00 52.02 C ATOM 743 CD1 TYR A 46 -5.804 -8.343 1.778 1.00 4.12 C ATOM 744 CD2 TYR A 46 -3.901 -7.985 3.167 1.00 51.12 C ATOM 745 CE1 TYR A 46 -6.605 -8.463 2.899 1.00 35.32 C ATOM 746 CE2 TYR A 46 -4.694 -8.106 4.292 1.00 21.44 C ATOM 747 CZ TYR A 46 -6.045 -8.347 4.153 1.00 74.54 C ATOM 748 OH TYR A 46 -6.840 -8.461 5.274 1.00 22.03 O ATOM 0 H TYR A 46 -1.702 -9.536 1.379 1.00 22.15 H new ATOM 0 HA TYR A 46 -4.160 -9.846 -0.169 1.00 71.32 H new ATOM 0 HB2 TYR A 46 -2.639 -7.458 0.933 1.00 70.53 H new ATOM 0 HB3 TYR A 46 -4.075 -7.302 -0.059 1.00 70.53 H new ATOM 0 HD1 TYR A 46 -6.246 -8.440 0.797 1.00 4.12 H new ATOM 0 HD2 TYR A 46 -2.844 -7.798 3.281 1.00 51.12 H new ATOM 0 HE1 TYR A 46 -7.664 -8.647 2.792 1.00 35.32 H new ATOM 0 HE2 TYR A 46 -4.258 -8.012 5.276 1.00 21.44 H new ATOM 0 HH TYR A 46 -6.289 -8.356 6.078 1.00 22.03 H new ATOM 758 N ASP A 47 -1.310 -8.775 -1.412 1.00 63.22 N ATOM 759 CA ASP A 47 -0.549 -8.509 -2.641 1.00 12.53 C ATOM 760 C ASP A 47 -0.855 -7.116 -3.205 1.00 30.14 C ATOM 761 O ASP A 47 -0.330 -6.724 -4.251 1.00 44.14 O ATOM 762 CB ASP A 47 -0.801 -9.601 -3.701 1.00 51.30 C ATOM 763 CG ASP A 47 -0.301 -10.973 -3.263 1.00 61.42 C ATOM 764 OD1 ASP A 47 0.926 -11.208 -3.305 1.00 60.45 O ATOM 765 OD2 ASP A 47 -1.129 -11.824 -2.870 1.00 32.21 O ATOM 0 H ASP A 47 -0.742 -8.753 -0.565 1.00 63.22 H new ATOM 0 HA ASP A 47 0.509 -8.532 -2.378 1.00 12.53 H new ATOM 0 HB2 ASP A 47 -1.869 -9.658 -3.911 1.00 51.30 H new ATOM 0 HB3 ASP A 47 -0.308 -9.319 -4.631 1.00 51.30 H new ATOM 770 N TYR A 48 -1.705 -6.368 -2.505 1.00 14.12 N ATOM 771 CA TYR A 48 -1.971 -4.966 -2.825 1.00 43.23 C ATOM 772 C TYR A 48 -1.995 -4.158 -1.536 1.00 52.44 C ATOM 773 O TYR A 48 -2.849 -4.379 -0.676 1.00 72.42 O ATOM 774 CB TYR A 48 -3.305 -4.805 -3.569 1.00 22.45 C ATOM 775 CG TYR A 48 -3.272 -5.292 -5.003 1.00 23.54 C ATOM 776 CD1 TYR A 48 -3.497 -6.628 -5.309 1.00 1.34 C ATOM 777 CD2 TYR A 48 -3.008 -4.414 -6.051 1.00 41.24 C ATOM 778 CE1 TYR A 48 -3.460 -7.073 -6.615 1.00 43.13 C ATOM 779 CE2 TYR A 48 -2.971 -4.854 -7.359 1.00 51.35 C ATOM 780 CZ TYR A 48 -3.198 -6.184 -7.634 1.00 5.01 C ATOM 781 OH TYR A 48 -3.159 -6.628 -8.936 1.00 32.54 O ATOM 0 H TYR A 48 -2.228 -6.715 -1.701 1.00 14.12 H new ATOM 0 HA TYR A 48 -1.180 -4.602 -3.480 1.00 43.23 H new ATOM 0 HB2 TYR A 48 -4.079 -5.350 -3.029 1.00 22.45 H new ATOM 0 HB3 TYR A 48 -3.590 -3.753 -3.560 1.00 22.45 H new ATOM 0 HD1 TYR A 48 -3.704 -7.329 -4.514 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -2.829 -3.371 -5.837 1.00 41.24 H new ATOM 0 HE1 TYR A 48 -3.636 -8.115 -6.837 1.00 43.13 H new ATOM 0 HE2 TYR A 48 -2.766 -4.160 -8.161 1.00 51.35 H new ATOM 0 HH TYR A 48 -3.491 -7.549 -8.978 1.00 32.54 H new ATOM 791 N ILE A 49 -1.051 -3.234 -1.398 1.00 2.04 N ATOM 792 CA ILE A 49 -0.901 -2.463 -0.168 1.00 24.20 C ATOM 793 C ILE A 49 -1.182 -0.988 -0.431 1.00 61.35 C ATOM 794 O ILE A 49 -0.525 -0.362 -1.263 1.00 74.14 O ATOM 795 CB ILE A 49 0.526 -2.605 0.422 1.00 74.51 C ATOM 796 CG1 ILE A 49 0.998 -4.071 0.377 1.00 45.12 C ATOM 797 CG2 ILE A 49 0.556 -2.082 1.858 1.00 31.14 C ATOM 798 CD1 ILE A 49 0.141 -5.024 1.188 1.00 12.32 C ATOM 0 H ILE A 49 -0.375 -3.000 -2.125 1.00 2.04 H new ATOM 0 HA ILE A 49 -1.619 -2.857 0.552 1.00 24.20 H new ATOM 0 HB ILE A 49 1.208 -2.011 -0.186 1.00 74.51 H new ATOM 0 HG12 ILE A 49 1.011 -4.405 -0.660 1.00 45.12 H new ATOM 0 HG13 ILE A 49 2.024 -4.122 0.742 1.00 45.12 H new ATOM 0 HG21 ILE A 49 1.563 -2.187 2.262 1.00 31.14 H new ATOM 0 HG22 ILE A 49 0.268 -1.031 1.868 1.00 31.14 H new ATOM 0 HG23 ILE A 49 -0.142 -2.655 2.469 1.00 31.14 H new ATOM 0 HD11 ILE A 49 0.541 -6.035 1.103 1.00 12.32 H new ATOM 0 HD12 ILE A 49 0.147 -4.718 2.234 1.00 12.32 H new ATOM 0 HD13 ILE A 49 -0.881 -5.005 0.810 1.00 12.32 H new ATOM 810 N VAL A 50 -2.164 -0.442 0.276 1.00 11.44 N ATOM 811 CA VAL A 50 -2.548 0.959 0.126 1.00 2.34 C ATOM 812 C VAL A 50 -2.482 1.668 1.473 1.00 43.44 C ATOM 813 O VAL A 50 -3.161 1.274 2.416 1.00 73.42 O ATOM 814 CB VAL A 50 -3.981 1.092 -0.442 1.00 15.50 C ATOM 815 CG1 VAL A 50 -4.358 2.563 -0.620 1.00 64.13 C ATOM 816 CG2 VAL A 50 -4.113 0.324 -1.757 1.00 13.23 C ATOM 0 H VAL A 50 -2.715 -0.953 0.966 1.00 11.44 H new ATOM 0 HA VAL A 50 -1.849 1.419 -0.573 1.00 2.34 H new ATOM 0 HB VAL A 50 -4.677 0.654 0.273 1.00 15.50 H new ATOM 0 HG11 VAL A 50 -5.369 2.634 -1.020 1.00 64.13 H new ATOM 0 HG12 VAL A 50 -4.313 3.069 0.344 1.00 64.13 H new ATOM 0 HG13 VAL A 50 -3.660 3.036 -1.311 1.00 64.13 H new ATOM 0 HG21 VAL A 50 -5.128 0.430 -2.140 1.00 13.23 H new ATOM 0 HG22 VAL A 50 -3.407 0.724 -2.485 1.00 13.23 H new ATOM 0 HG23 VAL A 50 -3.898 -0.731 -1.585 1.00 13.23 H new ATOM 826 N GLY A 51 -1.662 2.706 1.556 1.00 21.10 N ATOM 827 CA GLY A 51 -1.542 3.464 2.791 1.00 1.11 C ATOM 828 C GLY A 51 -2.249 4.799 2.698 1.00 42.51 C ATOM 829 O GLY A 51 -1.933 5.601 1.819 1.00 12.14 O ATOM 0 H GLY A 51 -1.076 3.039 0.791 1.00 21.10 H new ATOM 0 HA2 GLY A 51 -1.961 2.887 3.615 1.00 1.11 H new ATOM 0 HA3 GLY A 51 -0.488 3.625 3.018 1.00 1.11 H new ATOM 833 N ASP A 52 -3.210 5.033 3.594 1.00 62.01 N ATOM 834 CA ASP A 52 -3.985 6.278 3.605 1.00 31.25 C ATOM 835 C ASP A 52 -3.614 7.130 4.814 1.00 41.34 C ATOM 836 O ASP A 52 -3.489 6.626 5.925 1.00 12.13 O ATOM 837 CB ASP A 52 -5.504 5.992 3.605 1.00 40.24 C ATOM 838 CG ASP A 52 -6.015 5.366 4.905 1.00 71.44 C ATOM 839 OD1 ASP A 52 -5.989 4.124 5.025 1.00 2.30 O ATOM 840 OD2 ASP A 52 -6.468 6.111 5.807 1.00 32.54 O ATOM 0 H ASP A 52 -3.472 4.373 4.326 1.00 62.01 H new ATOM 0 HA ASP A 52 -3.741 6.828 2.696 1.00 31.25 H new ATOM 0 HB2 ASP A 52 -6.040 6.924 3.427 1.00 40.24 H new ATOM 0 HB3 ASP A 52 -5.739 5.326 2.775 1.00 40.24 H new ATOM 845 N TRP A 53 -3.437 8.425 4.594 1.00 42.31 N ATOM 846 CA TRP A 53 -3.124 9.358 5.677 1.00 51.12 C ATOM 847 C TRP A 53 -4.413 9.918 6.285 1.00 52.12 C ATOM 848 O TRP A 53 -4.459 11.071 6.727 1.00 73.44 O ATOM 849 CB TRP A 53 -2.230 10.492 5.149 1.00 30.12 C ATOM 850 CG TRP A 53 -0.852 10.033 4.749 1.00 11.41 C ATOM 851 CD1 TRP A 53 -0.486 9.449 3.569 1.00 61.43 C ATOM 852 CD2 TRP A 53 0.345 10.127 5.534 1.00 34.20 C ATOM 853 NE1 TRP A 53 0.861 9.172 3.574 1.00 43.43 N ATOM 854 CE2 TRP A 53 1.393 9.580 4.768 1.00 42.53 C ATOM 855 CE3 TRP A 53 0.632 10.624 6.808 1.00 24.51 C ATOM 856 CZ2 TRP A 53 2.703 9.510 5.242 1.00 21.54 C ATOM 857 CZ3 TRP A 53 1.931 10.555 7.277 1.00 43.30 C ATOM 858 CH2 TRP A 53 2.954 10.004 6.494 1.00 12.05 C ATOM 0 H TRP A 53 -3.504 8.859 3.673 1.00 42.31 H new ATOM 0 HA TRP A 53 -2.583 8.827 6.460 1.00 51.12 H new ATOM 0 HB2 TRP A 53 -2.714 10.955 4.289 1.00 30.12 H new ATOM 0 HB3 TRP A 53 -2.140 11.261 5.917 1.00 30.12 H new ATOM 0 HD1 TRP A 53 -1.158 9.236 2.751 1.00 61.43 H new ATOM 0 HE1 TRP A 53 1.379 8.734 2.812 1.00 43.43 H new ATOM 0 HE3 TRP A 53 -0.149 11.055 7.417 1.00 24.51 H new ATOM 0 HZ2 TRP A 53 3.492 9.081 4.642 1.00 21.54 H new ATOM 0 HZ3 TRP A 53 2.161 10.932 8.263 1.00 43.30 H new ATOM 0 HH2 TRP A 53 3.960 9.968 6.886 1.00 12.05 H new ATOM 869 N GLY A 54 -5.447 9.074 6.331 1.00 72.34 N ATOM 870 CA GLY A 54 -6.755 9.494 6.806 1.00 14.12 C ATOM 871 C GLY A 54 -6.754 9.947 8.257 1.00 40.41 C ATOM 872 O GLY A 54 -7.480 10.877 8.620 1.00 54.05 O ATOM 0 H GLY A 54 -5.397 8.097 6.044 1.00 72.34 H new ATOM 0 HA2 GLY A 54 -7.116 10.309 6.179 1.00 14.12 H new ATOM 0 HA3 GLY A 54 -7.457 8.668 6.691 1.00 14.12 H new ATOM 876 N TYR A 55 -5.944 9.301 9.096 1.00 0.13 N ATOM 877 CA TYR A 55 -5.888 9.642 10.519 1.00 44.23 C ATOM 878 C TYR A 55 -4.444 9.856 10.968 1.00 63.21 C ATOM 879 O TYR A 55 -3.802 8.943 11.489 1.00 11.21 O ATOM 880 CB TYR A 55 -6.570 8.559 11.375 1.00 43.32 C ATOM 881 CG TYR A 55 -6.748 8.948 12.836 1.00 53.33 C ATOM 882 CD1 TYR A 55 -7.788 9.784 13.229 1.00 30.12 C ATOM 883 CD2 TYR A 55 -5.875 8.486 13.817 1.00 54.11 C ATOM 884 CE1 TYR A 55 -7.954 10.146 14.554 1.00 20.23 C ATOM 885 CE2 TYR A 55 -6.035 8.845 15.143 1.00 62.11 C ATOM 886 CZ TYR A 55 -7.075 9.676 15.505 1.00 3.34 C ATOM 887 OH TYR A 55 -7.238 10.039 16.827 1.00 24.13 O ATOM 0 H TYR A 55 -5.321 8.543 8.818 1.00 0.13 H new ATOM 0 HA TYR A 55 -6.432 10.575 10.662 1.00 44.23 H new ATOM 0 HB2 TYR A 55 -7.547 8.334 10.948 1.00 43.32 H new ATOM 0 HB3 TYR A 55 -5.981 7.644 11.322 1.00 43.32 H new ATOM 0 HD1 TYR A 55 -8.478 10.157 12.487 1.00 30.12 H new ATOM 0 HD2 TYR A 55 -5.059 7.836 13.538 1.00 54.11 H new ATOM 0 HE1 TYR A 55 -8.769 10.794 14.841 1.00 20.23 H new ATOM 0 HE2 TYR A 55 -5.349 8.477 15.891 1.00 62.11 H new ATOM 0 HH TYR A 55 -6.536 9.622 17.370 1.00 24.13 H new ATOM 897 N GLY A 56 -3.941 11.067 10.738 1.00 70.31 N ATOM 898 CA GLY A 56 -2.597 11.426 11.157 1.00 71.51 C ATOM 899 C GLY A 56 -1.525 10.550 10.533 1.00 31.32 C ATOM 900 O GLY A 56 -1.028 10.846 9.446 1.00 73.13 O ATOM 0 H GLY A 56 -4.448 11.814 10.263 1.00 70.31 H new ATOM 0 HA2 GLY A 56 -2.406 12.466 10.894 1.00 71.51 H new ATOM 0 HA3 GLY A 56 -2.530 11.354 12.243 1.00 71.51 H new ATOM 904 N GLN A 57 -1.169 9.476 11.225 1.00 24.11 N ATOM 905 CA GLN A 57 -0.183 8.524 10.726 1.00 65.05 C ATOM 906 C GLN A 57 -0.840 7.612 9.693 1.00 74.53 C ATOM 907 O GLN A 57 -1.995 7.211 9.868 1.00 12.45 O ATOM 908 CB GLN A 57 0.391 7.707 11.891 1.00 73.32 C ATOM 909 CG GLN A 57 1.066 8.563 12.964 1.00 43.21 C ATOM 910 CD GLN A 57 1.635 7.744 14.112 1.00 3.30 C ATOM 911 OE1 GLN A 57 1.108 6.687 14.460 1.00 60.41 O ATOM 912 NE2 GLN A 57 2.712 8.226 14.712 1.00 1.33 N ATOM 0 H GLN A 57 -1.551 9.240 12.141 1.00 24.11 H new ATOM 0 HA GLN A 57 0.638 9.059 10.250 1.00 65.05 H new ATOM 0 HB2 GLN A 57 -0.412 7.130 12.350 1.00 73.32 H new ATOM 0 HB3 GLN A 57 1.114 6.991 11.500 1.00 73.32 H new ATOM 0 HG2 GLN A 57 1.868 9.142 12.506 1.00 43.21 H new ATOM 0 HG3 GLN A 57 0.343 9.277 13.359 1.00 43.21 H new ATOM 0 HE21 GLN A 57 3.121 9.105 14.396 1.00 1.33 H new ATOM 0 HE22 GLN A 57 3.133 7.718 15.490 1.00 1.33 H new ATOM 921 N LEU A 58 -0.119 7.292 8.618 1.00 53.24 N ATOM 922 CA LEU A 58 -0.711 6.535 7.522 1.00 64.52 C ATOM 923 C LEU A 58 -1.155 5.156 7.993 1.00 32.51 C ATOM 924 O LEU A 58 -0.439 4.461 8.720 1.00 73.14 O ATOM 925 CB LEU A 58 0.240 6.447 6.304 1.00 4.01 C ATOM 926 CG LEU A 58 1.464 5.504 6.410 1.00 42.41 C ATOM 927 CD1 LEU A 58 1.085 4.050 6.103 1.00 40.15 C ATOM 928 CD2 LEU A 58 2.577 5.965 5.470 1.00 44.41 C ATOM 0 H LEU A 58 0.861 7.542 8.486 1.00 53.24 H new ATOM 0 HA LEU A 58 -1.598 7.074 7.188 1.00 64.52 H new ATOM 0 HB2 LEU A 58 -0.349 6.136 5.441 1.00 4.01 H new ATOM 0 HB3 LEU A 58 0.608 7.451 6.093 1.00 4.01 H new ATOM 0 HG LEU A 58 1.824 5.548 7.438 1.00 42.41 H new ATOM 0 HD11 LEU A 58 1.969 3.418 6.187 1.00 40.15 H new ATOM 0 HD12 LEU A 58 0.329 3.713 6.813 1.00 40.15 H new ATOM 0 HD13 LEU A 58 0.687 3.984 5.090 1.00 40.15 H new ATOM 0 HD21 LEU A 58 3.429 5.291 5.557 1.00 44.41 H new ATOM 0 HD22 LEU A 58 2.212 5.957 4.443 1.00 44.41 H new ATOM 0 HD23 LEU A 58 2.885 6.976 5.738 1.00 44.41 H new ATOM 940 N ARG A 59 -2.363 4.798 7.607 1.00 42.32 N ATOM 941 CA ARG A 59 -2.928 3.496 7.887 1.00 63.03 C ATOM 942 C ARG A 59 -2.664 2.591 6.690 1.00 20.14 C ATOM 943 O ARG A 59 -2.936 2.974 5.554 1.00 25.12 O ATOM 944 CB ARG A 59 -4.430 3.654 8.133 1.00 42.02 C ATOM 945 CG ARG A 59 -4.762 4.736 9.161 1.00 3.42 C ATOM 946 CD ARG A 59 -6.212 5.191 9.057 1.00 5.03 C ATOM 947 NE ARG A 59 -7.156 4.107 9.333 1.00 45.20 N ATOM 948 CZ ARG A 59 -7.977 3.576 8.427 1.00 3.23 C ATOM 949 NH1 ARG A 59 -7.941 3.986 7.159 1.00 33.44 N ATOM 950 NH2 ARG A 59 -8.823 2.622 8.791 1.00 32.21 N ATOM 0 H ARG A 59 -2.987 5.412 7.083 1.00 42.32 H new ATOM 0 HA ARG A 59 -2.475 3.052 8.774 1.00 63.03 H new ATOM 0 HB2 ARG A 59 -4.923 3.894 7.191 1.00 42.02 H new ATOM 0 HB3 ARG A 59 -4.838 2.702 8.473 1.00 42.02 H new ATOM 0 HG2 ARG A 59 -4.572 4.354 10.164 1.00 3.42 H new ATOM 0 HG3 ARG A 59 -4.102 5.591 9.015 1.00 3.42 H new ATOM 0 HD2 ARG A 59 -6.385 6.008 9.758 1.00 5.03 H new ATOM 0 HD3 ARG A 59 -6.396 5.584 8.057 1.00 5.03 H new ATOM 0 HE ARG A 59 -7.188 3.733 10.281 1.00 45.20 H new ATOM 0 HH11 ARG A 59 -7.282 4.711 6.876 1.00 33.44 H new ATOM 0 HH12 ARG A 59 -8.573 3.575 6.472 1.00 33.44 H new ATOM 0 HH21 ARG A 59 -8.842 2.299 9.758 1.00 32.21 H new ATOM 0 HH22 ARG A 59 -9.454 2.211 8.104 1.00 32.21 H new ATOM 964 N LEU A 60 -2.119 1.406 6.933 1.00 12.01 N ATOM 965 CA LEU A 60 -1.723 0.527 5.841 1.00 23.31 C ATOM 966 C LEU A 60 -2.768 -0.571 5.642 1.00 53.11 C ATOM 967 O LEU A 60 -2.920 -1.465 6.477 1.00 32.43 O ATOM 968 CB LEU A 60 -0.328 -0.064 6.105 1.00 33.51 C ATOM 969 CG LEU A 60 0.471 -0.436 4.849 1.00 73.02 C ATOM 970 CD1 LEU A 60 0.648 0.780 3.943 1.00 43.22 C ATOM 971 CD2 LEU A 60 1.831 -1.014 5.228 1.00 31.05 C ATOM 0 H LEU A 60 -1.942 1.034 7.866 1.00 12.01 H new ATOM 0 HA LEU A 60 -1.667 1.108 4.920 1.00 23.31 H new ATOM 0 HB2 LEU A 60 0.250 0.656 6.684 1.00 33.51 H new ATOM 0 HB3 LEU A 60 -0.439 -0.955 6.723 1.00 33.51 H new ATOM 0 HG LEU A 60 -0.089 -1.196 4.304 1.00 73.02 H new ATOM 0 HD11 LEU A 60 1.217 0.495 3.058 1.00 43.22 H new ATOM 0 HD12 LEU A 60 -0.330 1.154 3.640 1.00 43.22 H new ATOM 0 HD13 LEU A 60 1.184 1.561 4.483 1.00 43.22 H new ATOM 0 HD21 LEU A 60 2.382 -1.271 4.323 1.00 31.05 H new ATOM 0 HD22 LEU A 60 2.394 -0.275 5.798 1.00 31.05 H new ATOM 0 HD23 LEU A 60 1.690 -1.909 5.834 1.00 31.05 H new ATOM 983 N LYS A 61 -3.494 -0.470 4.537 1.00 1.53 N ATOM 984 CA LYS A 61 -4.588 -1.378 4.210 1.00 31.32 C ATOM 985 C LYS A 61 -4.149 -2.337 3.102 1.00 4.52 C ATOM 986 O LYS A 61 -3.204 -2.051 2.365 1.00 24.42 O ATOM 987 CB LYS A 61 -5.808 -0.553 3.755 1.00 34.21 C ATOM 988 CG LYS A 61 -7.041 -1.372 3.377 1.00 52.22 C ATOM 989 CD LYS A 61 -7.692 -2.039 4.586 1.00 44.41 C ATOM 990 CE LYS A 61 -8.941 -2.825 4.190 1.00 30.12 C ATOM 991 NZ LYS A 61 -9.658 -3.365 5.376 1.00 34.51 N ATOM 0 H LYS A 61 -3.339 0.252 3.834 1.00 1.53 H new ATOM 0 HA LYS A 61 -4.859 -1.964 5.088 1.00 31.32 H new ATOM 0 HB2 LYS A 61 -6.080 0.136 4.555 1.00 34.21 H new ATOM 0 HB3 LYS A 61 -5.517 0.054 2.897 1.00 34.21 H new ATOM 0 HG2 LYS A 61 -7.768 -0.724 2.888 1.00 52.22 H new ATOM 0 HG3 LYS A 61 -6.758 -2.136 2.653 1.00 52.22 H new ATOM 0 HD2 LYS A 61 -6.976 -2.709 5.062 1.00 44.41 H new ATOM 0 HD3 LYS A 61 -7.957 -1.280 5.322 1.00 44.41 H new ATOM 0 HE2 LYS A 61 -9.612 -2.179 3.624 1.00 30.12 H new ATOM 0 HE3 LYS A 61 -8.659 -3.647 3.532 1.00 30.12 H new ATOM 0 HZ1 LYS A 61 -10.499 -3.891 5.063 1.00 34.51 H new ATOM 0 HZ2 LYS A 61 -9.027 -4.002 5.903 1.00 34.51 H new ATOM 0 HZ3 LYS A 61 -9.950 -2.580 5.992 1.00 34.51 H new ATOM 1005 N GLY A 62 -4.832 -3.471 2.992 1.00 62.15 N ATOM 1006 CA GLY A 62 -4.537 -4.429 1.943 1.00 43.11 C ATOM 1007 C GLY A 62 -5.786 -4.828 1.182 1.00 45.14 C ATOM 1008 O GLY A 62 -6.876 -4.884 1.760 1.00 14.20 O ATOM 0 H GLY A 62 -5.591 -3.745 3.616 1.00 62.15 H new ATOM 0 HA2 GLY A 62 -3.811 -4.000 1.252 1.00 43.11 H new ATOM 0 HA3 GLY A 62 -4.077 -5.316 2.379 1.00 43.11 H new ATOM 1012 N PHE A 63 -5.632 -5.089 -0.111 1.00 44.42 N ATOM 1013 CA PHE A 63 -6.740 -5.520 -0.966 1.00 34.31 C ATOM 1014 C PHE A 63 -6.289 -6.672 -1.852 1.00 3.30 C ATOM 1015 O PHE A 63 -5.094 -6.947 -1.955 1.00 63.21 O ATOM 1016 CB PHE A 63 -7.240 -4.362 -1.844 1.00 40.40 C ATOM 1017 CG PHE A 63 -7.848 -3.222 -1.069 1.00 45.01 C ATOM 1018 CD1 PHE A 63 -9.158 -3.296 -0.617 1.00 74.13 C ATOM 1019 CD2 PHE A 63 -7.114 -2.075 -0.801 1.00 20.33 C ATOM 1020 CE1 PHE A 63 -9.722 -2.251 0.087 1.00 74.52 C ATOM 1021 CE2 PHE A 63 -7.674 -1.030 -0.096 1.00 23.40 C ATOM 1022 CZ PHE A 63 -8.979 -1.117 0.347 1.00 0.41 C ATOM 0 H PHE A 63 -4.740 -5.009 -0.598 1.00 44.42 H new ATOM 0 HA PHE A 63 -7.559 -5.847 -0.325 1.00 34.31 H new ATOM 0 HB2 PHE A 63 -6.407 -3.982 -2.435 1.00 40.40 H new ATOM 0 HB3 PHE A 63 -7.980 -4.746 -2.546 1.00 40.40 H new ATOM 0 HD1 PHE A 63 -9.743 -4.181 -0.818 1.00 74.13 H new ATOM 0 HD2 PHE A 63 -6.094 -2.000 -1.148 1.00 20.33 H new ATOM 0 HE1 PHE A 63 -10.742 -2.321 0.434 1.00 74.52 H new ATOM 0 HE2 PHE A 63 -7.092 -0.144 0.110 1.00 23.40 H new ATOM 0 HZ PHE A 63 -9.418 -0.298 0.897 1.00 0.41 H new ATOM 1032 N PHE A 64 -7.245 -7.340 -2.486 1.00 65.14 N ATOM 1033 CA PHE A 64 -6.951 -8.436 -3.409 1.00 62.11 C ATOM 1034 C PHE A 64 -7.153 -7.983 -4.855 1.00 1.20 C ATOM 1035 O PHE A 64 -7.682 -6.897 -5.102 1.00 31.43 O ATOM 1036 CB PHE A 64 -7.853 -9.645 -3.117 1.00 54.10 C ATOM 1037 CG PHE A 64 -7.637 -10.266 -1.756 1.00 12.32 C ATOM 1038 CD1 PHE A 64 -6.561 -11.114 -1.527 1.00 73.41 C ATOM 1039 CD2 PHE A 64 -8.514 -10.010 -0.707 1.00 24.24 C ATOM 1040 CE1 PHE A 64 -6.363 -11.689 -0.285 1.00 22.12 C ATOM 1041 CE2 PHE A 64 -8.318 -10.585 0.536 1.00 63.44 C ATOM 1042 CZ PHE A 64 -7.241 -11.424 0.748 1.00 75.03 C ATOM 0 H PHE A 64 -8.240 -7.141 -2.378 1.00 65.14 H new ATOM 0 HA PHE A 64 -5.911 -8.729 -3.268 1.00 62.11 H new ATOM 0 HB2 PHE A 64 -8.895 -9.335 -3.201 1.00 54.10 H new ATOM 0 HB3 PHE A 64 -7.683 -10.404 -3.881 1.00 54.10 H new ATOM 0 HD1 PHE A 64 -5.870 -11.327 -2.329 1.00 73.41 H new ATOM 0 HD2 PHE A 64 -9.358 -9.355 -0.865 1.00 24.24 H new ATOM 0 HE1 PHE A 64 -5.521 -12.346 -0.123 1.00 22.12 H new ATOM 0 HE2 PHE A 64 -9.007 -10.378 1.341 1.00 63.44 H new ATOM 0 HZ PHE A 64 -7.086 -11.871 1.719 1.00 75.03 H new ATOM 1052 N ASP A 65 -6.724 -8.818 -5.801 1.00 72.45 N ATOM 1053 CA ASP A 65 -6.913 -8.543 -7.230 1.00 50.10 C ATOM 1054 C ASP A 65 -8.395 -8.341 -7.544 1.00 71.42 C ATOM 1055 O ASP A 65 -9.240 -9.139 -7.128 1.00 4.42 O ATOM 1056 CB ASP A 65 -6.360 -9.690 -8.096 1.00 32.40 C ATOM 1057 CG ASP A 65 -4.844 -9.813 -8.036 1.00 10.41 C ATOM 1058 OD1 ASP A 65 -4.332 -10.383 -7.052 1.00 21.44 O ATOM 1059 OD2 ASP A 65 -4.158 -9.350 -8.978 1.00 13.24 O ATOM 0 H ASP A 65 -6.241 -9.695 -5.605 1.00 72.45 H new ATOM 0 HA ASP A 65 -6.364 -7.631 -7.465 1.00 50.10 H new ATOM 0 HB2 ASP A 65 -6.807 -10.629 -7.771 1.00 32.40 H new ATOM 0 HB3 ASP A 65 -6.664 -9.534 -9.131 1.00 32.40 H new ATOM 1064 N ASP A 66 -8.697 -7.279 -8.282 1.00 63.14 N ATOM 1065 CA ASP A 66 -10.074 -6.937 -8.643 1.00 15.03 C ATOM 1066 C ASP A 66 -10.089 -6.286 -10.026 1.00 45.23 C ATOM 1067 O ASP A 66 -9.026 -6.099 -10.620 1.00 4.51 O ATOM 1068 CB ASP A 66 -10.685 -6.006 -7.583 1.00 53.22 C ATOM 1069 CG ASP A 66 -12.143 -5.656 -7.851 1.00 1.55 C ATOM 1070 OD1 ASP A 66 -12.968 -6.581 -7.998 1.00 23.12 O ATOM 1071 OD2 ASP A 66 -12.472 -4.455 -7.909 1.00 64.22 O ATOM 0 H ASP A 66 -7.999 -6.631 -8.647 1.00 63.14 H new ATOM 0 HA ASP A 66 -10.679 -7.843 -8.679 1.00 15.03 H new ATOM 0 HB2 ASP A 66 -10.607 -6.481 -6.605 1.00 53.22 H new ATOM 0 HB3 ASP A 66 -10.101 -5.087 -7.538 1.00 53.22 H new ATOM 1076 N GLN A 67 -11.285 -5.965 -10.541 1.00 60.34 N ATOM 1077 CA GLN A 67 -11.441 -5.413 -11.891 1.00 31.20 C ATOM 1078 C GLN A 67 -11.066 -6.477 -12.923 1.00 70.43 C ATOM 1079 O GLN A 67 -10.811 -6.182 -14.090 1.00 13.52 O ATOM 1080 CB GLN A 67 -10.584 -4.145 -12.082 1.00 71.42 C ATOM 1081 CG GLN A 67 -10.990 -2.965 -11.197 1.00 2.45 C ATOM 1082 CD GLN A 67 -12.308 -2.321 -11.606 1.00 11.21 C ATOM 1083 OE1 GLN A 67 -13.211 -2.977 -12.124 1.00 51.24 O ATOM 1084 NE2 GLN A 67 -12.428 -1.019 -11.374 1.00 11.42 N ATOM 0 H GLN A 67 -12.164 -6.080 -10.036 1.00 60.34 H new ATOM 0 HA GLN A 67 -12.483 -5.126 -12.031 1.00 31.20 H new ATOM 0 HB2 GLN A 67 -9.542 -4.392 -11.880 1.00 71.42 H new ATOM 0 HB3 GLN A 67 -10.642 -3.837 -13.126 1.00 71.42 H new ATOM 0 HG2 GLN A 67 -11.067 -3.306 -10.164 1.00 2.45 H new ATOM 0 HG3 GLN A 67 -10.203 -2.212 -11.226 1.00 2.45 H new ATOM 0 HE21 GLN A 67 -11.660 -0.505 -10.943 1.00 11.42 H new ATOM 0 HE22 GLN A 67 -13.288 -0.533 -11.627 1.00 11.42 H new ATOM 1093 N ASN A 68 -11.080 -7.730 -12.473 1.00 64.51 N ATOM 1094 CA ASN A 68 -10.634 -8.861 -13.282 1.00 45.33 C ATOM 1095 C ASN A 68 -11.713 -9.277 -14.283 1.00 65.23 C ATOM 1096 O ASN A 68 -11.438 -10.011 -15.236 1.00 33.24 O ATOM 1097 CB ASN A 68 -10.257 -10.036 -12.369 1.00 41.13 C ATOM 1098 CG ASN A 68 -9.631 -11.194 -13.129 1.00 42.51 C ATOM 1099 OD1 ASN A 68 -8.417 -11.228 -13.344 1.00 0.11 O ATOM 1100 ND2 ASN A 68 -10.444 -12.162 -13.520 1.00 23.32 N ATOM 0 H ASN A 68 -11.400 -7.989 -11.540 1.00 64.51 H new ATOM 0 HA ASN A 68 -9.754 -8.559 -13.850 1.00 45.33 H new ATOM 0 HB2 ASN A 68 -9.560 -9.689 -11.606 1.00 41.13 H new ATOM 0 HB3 ASN A 68 -11.149 -10.388 -11.850 1.00 41.13 H new ATOM 0 HD21 ASN A 68 -10.072 -12.971 -14.017 1.00 23.32 H new ATOM 0 HD22 ASN A 68 -11.443 -12.099 -13.324 1.00 23.32 H new ATOM 1107 N GLN A 69 -12.942 -8.819 -14.060 1.00 72.53 N ATOM 1108 CA GLN A 69 -14.022 -9.051 -15.014 1.00 31.44 C ATOM 1109 C GLN A 69 -13.743 -8.264 -16.288 1.00 3.35 C ATOM 1110 O GLN A 69 -13.833 -8.797 -17.397 1.00 53.24 O ATOM 1111 CB GLN A 69 -15.379 -8.645 -14.416 1.00 4.03 C ATOM 1112 CG GLN A 69 -16.572 -8.880 -15.346 1.00 44.42 C ATOM 1113 CD GLN A 69 -16.843 -10.352 -15.632 1.00 2.34 C ATOM 1114 OE1 GLN A 69 -15.935 -11.185 -15.643 1.00 54.13 O ATOM 1115 NE2 GLN A 69 -18.101 -10.683 -15.868 1.00 50.43 N ATOM 0 H GLN A 69 -13.214 -8.288 -13.232 1.00 72.53 H new ATOM 0 HA GLN A 69 -14.068 -10.115 -15.247 1.00 31.44 H new ATOM 0 HB2 GLN A 69 -15.537 -9.202 -13.493 1.00 4.03 H new ATOM 0 HB3 GLN A 69 -15.344 -7.589 -14.149 1.00 4.03 H new ATOM 0 HG2 GLN A 69 -17.462 -8.435 -14.901 1.00 44.42 H new ATOM 0 HG3 GLN A 69 -16.395 -8.362 -16.289 1.00 44.42 H new ATOM 0 HE21 GLN A 69 -18.828 -9.968 -15.851 1.00 50.43 H new ATOM 0 HE22 GLN A 69 -18.344 -11.653 -16.067 1.00 50.43 H new ATOM 1124 N LYS A 70 -13.390 -6.996 -16.116 1.00 52.03 N ATOM 1125 CA LYS A 70 -12.970 -6.151 -17.224 1.00 71.41 C ATOM 1126 C LYS A 70 -11.445 -6.065 -17.219 1.00 34.23 C ATOM 1127 O LYS A 70 -10.863 -5.053 -16.817 1.00 4.52 O ATOM 1128 CB LYS A 70 -13.609 -4.759 -17.107 1.00 24.41 C ATOM 1129 CG LYS A 70 -13.486 -3.915 -18.371 1.00 45.00 C ATOM 1130 CD LYS A 70 -14.252 -2.600 -18.253 1.00 12.31 C ATOM 1131 CE LYS A 70 -14.290 -1.846 -19.577 1.00 23.43 C ATOM 1132 NZ LYS A 70 -14.968 -2.631 -20.644 1.00 51.04 N ATOM 0 H LYS A 70 -13.387 -6.528 -15.210 1.00 52.03 H new ATOM 0 HA LYS A 70 -13.301 -6.581 -18.170 1.00 71.41 H new ATOM 0 HB2 LYS A 70 -14.664 -4.874 -16.860 1.00 24.41 H new ATOM 0 HB3 LYS A 70 -13.144 -4.225 -16.278 1.00 24.41 H new ATOM 0 HG2 LYS A 70 -12.434 -3.706 -18.568 1.00 45.00 H new ATOM 0 HG3 LYS A 70 -13.864 -4.480 -19.223 1.00 45.00 H new ATOM 0 HD2 LYS A 70 -15.270 -2.801 -17.920 1.00 12.31 H new ATOM 0 HD3 LYS A 70 -13.785 -1.975 -17.492 1.00 12.31 H new ATOM 0 HE2 LYS A 70 -14.808 -0.897 -19.440 1.00 23.43 H new ATOM 0 HE3 LYS A 70 -13.273 -1.611 -19.890 1.00 23.43 H new ATOM 0 HZ1 LYS A 70 -15.261 -1.993 -21.411 1.00 51.04 H new ATOM 0 HZ2 LYS A 70 -14.312 -3.346 -21.019 1.00 51.04 H new ATOM 0 HZ3 LYS A 70 -15.806 -3.104 -20.248 1.00 51.04 H new ATOM 1146 N ALA A 71 -10.813 -7.165 -17.633 1.00 61.35 N ATOM 1147 CA ALA A 71 -9.361 -7.309 -17.568 1.00 24.35 C ATOM 1148 C ALA A 71 -8.649 -6.233 -18.384 1.00 33.34 C ATOM 1149 O ALA A 71 -8.343 -6.426 -19.564 1.00 41.33 O ATOM 1150 CB ALA A 71 -8.944 -8.705 -18.026 1.00 21.32 C ATOM 0 H ALA A 71 -11.293 -7.977 -18.021 1.00 61.35 H new ATOM 0 HA ALA A 71 -9.060 -7.178 -16.529 1.00 24.35 H new ATOM 0 HB1 ALA A 71 -7.859 -8.797 -17.972 1.00 21.32 H new ATOM 0 HB2 ALA A 71 -9.404 -9.453 -17.380 1.00 21.32 H new ATOM 0 HB3 ALA A 71 -9.271 -8.863 -19.054 1.00 21.32 H new ATOM 1156 N THR A 72 -8.430 -5.092 -17.747 1.00 1.24 N ATOM 1157 CA THR A 72 -7.700 -3.979 -18.336 1.00 20.53 C ATOM 1158 C THR A 72 -7.144 -3.089 -17.221 1.00 33.12 C ATOM 1159 O THR A 72 -6.061 -2.510 -17.344 1.00 62.25 O ATOM 1160 CB THR A 72 -8.607 -3.134 -19.274 1.00 23.41 C ATOM 1161 OG1 THR A 72 -9.251 -3.983 -20.243 1.00 63.02 O ATOM 1162 CG2 THR A 72 -7.798 -2.063 -20.004 1.00 50.21 C ATOM 0 H THR A 72 -8.757 -4.911 -16.798 1.00 1.24 H new ATOM 0 HA THR A 72 -6.885 -4.386 -18.934 1.00 20.53 H new ATOM 0 HB THR A 72 -9.360 -2.645 -18.655 1.00 23.41 H new ATOM 0 HG1 THR A 72 -8.748 -4.819 -20.331 1.00 63.02 H new ATOM 0 HG21 THR A 72 -8.458 -1.487 -20.653 1.00 50.21 H new ATOM 0 HG22 THR A 72 -7.335 -1.398 -19.276 1.00 50.21 H new ATOM 0 HG23 THR A 72 -7.023 -2.539 -20.605 1.00 50.21 H new ATOM 1170 N PHE A 73 -7.890 -3.006 -16.120 1.00 61.43 N ATOM 1171 CA PHE A 73 -7.486 -2.208 -14.964 1.00 74.01 C ATOM 1172 C PHE A 73 -6.443 -2.956 -14.133 1.00 43.22 C ATOM 1173 O PHE A 73 -6.731 -3.438 -13.041 1.00 75.32 O ATOM 1174 CB PHE A 73 -8.706 -1.870 -14.098 1.00 44.34 C ATOM 1175 CG PHE A 73 -9.740 -1.033 -14.801 1.00 53.43 C ATOM 1176 CD1 PHE A 73 -9.636 0.351 -14.819 1.00 73.31 C ATOM 1177 CD2 PHE A 73 -10.815 -1.628 -15.447 1.00 54.41 C ATOM 1178 CE1 PHE A 73 -10.584 1.121 -15.465 1.00 32.01 C ATOM 1179 CE2 PHE A 73 -11.764 -0.860 -16.093 1.00 71.43 C ATOM 1180 CZ PHE A 73 -11.647 0.516 -16.102 1.00 52.23 C ATOM 0 H PHE A 73 -8.783 -3.485 -16.005 1.00 61.43 H new ATOM 0 HA PHE A 73 -7.042 -1.280 -15.325 1.00 74.01 H new ATOM 0 HB2 PHE A 73 -9.170 -2.798 -13.764 1.00 44.34 H new ATOM 0 HB3 PHE A 73 -8.371 -1.342 -13.206 1.00 44.34 H new ATOM 0 HD1 PHE A 73 -8.805 0.831 -14.323 1.00 73.31 H new ATOM 0 HD2 PHE A 73 -10.910 -2.704 -15.444 1.00 54.41 H new ATOM 0 HE1 PHE A 73 -10.493 2.197 -15.471 1.00 32.01 H new ATOM 0 HE2 PHE A 73 -12.597 -1.335 -16.591 1.00 71.43 H new ATOM 0 HZ PHE A 73 -12.388 1.118 -16.608 1.00 52.23 H new ATOM 1190 N GLU A 74 -5.231 -3.052 -14.671 1.00 31.04 N ATOM 1191 CA GLU A 74 -4.144 -3.790 -14.024 1.00 71.42 C ATOM 1192 C GLU A 74 -3.712 -3.125 -12.710 1.00 61.43 C ATOM 1193 O GLU A 74 -3.136 -3.775 -11.830 1.00 32.40 O ATOM 1194 CB GLU A 74 -2.944 -3.877 -14.982 1.00 24.14 C ATOM 1195 CG GLU A 74 -1.822 -4.798 -14.506 1.00 23.11 C ATOM 1196 CD GLU A 74 -2.227 -6.267 -14.499 1.00 10.45 C ATOM 1197 OE1 GLU A 74 -2.215 -6.894 -15.577 1.00 24.54 O ATOM 1198 OE2 GLU A 74 -2.559 -6.800 -13.418 1.00 3.43 O ATOM 0 H GLU A 74 -4.973 -2.625 -15.561 1.00 31.04 H new ATOM 0 HA GLU A 74 -4.507 -4.790 -13.787 1.00 71.42 H new ATOM 0 HB2 GLU A 74 -3.295 -4.224 -15.954 1.00 24.14 H new ATOM 0 HB3 GLU A 74 -2.538 -2.876 -15.129 1.00 24.14 H new ATOM 0 HG2 GLU A 74 -0.953 -4.668 -15.151 1.00 23.11 H new ATOM 0 HG3 GLU A 74 -1.519 -4.505 -13.501 1.00 23.11 H new ATOM 1205 N THR A 75 -3.990 -1.828 -12.584 1.00 51.22 N ATOM 1206 CA THR A 75 -3.520 -1.042 -11.443 1.00 12.44 C ATOM 1207 C THR A 75 -4.669 -0.301 -10.746 1.00 72.31 C ATOM 1208 O THR A 75 -4.448 0.678 -10.024 1.00 11.41 O ATOM 1209 CB THR A 75 -2.446 -0.033 -11.910 1.00 1.23 C ATOM 1210 OG1 THR A 75 -2.943 0.720 -13.027 1.00 31.23 O ATOM 1211 CG2 THR A 75 -1.158 -0.751 -12.315 1.00 22.41 C ATOM 0 H THR A 75 -4.540 -1.298 -13.260 1.00 51.22 H new ATOM 0 HA THR A 75 -3.087 -1.732 -10.719 1.00 12.44 H new ATOM 0 HB THR A 75 -2.223 0.637 -11.080 1.00 1.23 H new ATOM 0 HG1 THR A 75 -2.261 1.360 -13.320 1.00 31.23 H new ATOM 0 HG21 THR A 75 -0.419 -0.018 -12.639 1.00 22.41 H new ATOM 0 HG22 THR A 75 -0.768 -1.307 -11.462 1.00 22.41 H new ATOM 0 HG23 THR A 75 -1.368 -1.441 -13.132 1.00 22.41 H new ATOM 1219 N LYS A 76 -5.895 -0.787 -10.938 1.00 61.14 N ATOM 1220 CA LYS A 76 -7.078 -0.177 -10.331 1.00 12.44 C ATOM 1221 C LYS A 76 -7.952 -1.241 -9.672 1.00 61.21 C ATOM 1222 O LYS A 76 -7.996 -2.382 -10.127 1.00 73.52 O ATOM 1223 CB LYS A 76 -7.884 0.611 -11.380 1.00 14.42 C ATOM 1224 CG LYS A 76 -7.390 2.039 -11.608 1.00 3.40 C ATOM 1225 CD LYS A 76 -7.552 2.890 -10.351 1.00 5.13 C ATOM 1226 CE LYS A 76 -7.206 4.355 -10.591 1.00 61.22 C ATOM 1227 NZ LYS A 76 -5.787 4.543 -10.999 1.00 33.14 N ATOM 0 H LYS A 76 -6.095 -1.606 -11.512 1.00 61.14 H new ATOM 0 HA LYS A 76 -6.745 0.520 -9.562 1.00 12.44 H new ATOM 0 HB2 LYS A 76 -7.851 0.072 -12.327 1.00 14.42 H new ATOM 0 HB3 LYS A 76 -8.928 0.645 -11.069 1.00 14.42 H new ATOM 0 HG2 LYS A 76 -6.341 2.020 -11.904 1.00 3.40 H new ATOM 0 HG3 LYS A 76 -7.945 2.491 -12.430 1.00 3.40 H new ATOM 0 HD2 LYS A 76 -8.580 2.816 -9.996 1.00 5.13 H new ATOM 0 HD3 LYS A 76 -6.913 2.493 -9.562 1.00 5.13 H new ATOM 0 HE2 LYS A 76 -7.860 4.758 -11.364 1.00 61.22 H new ATOM 0 HE3 LYS A 76 -7.398 4.925 -9.682 1.00 61.22 H new ATOM 0 HZ1 LYS A 76 -5.587 5.558 -11.101 1.00 33.14 H new ATOM 0 HZ2 LYS A 76 -5.161 4.138 -10.274 1.00 33.14 H new ATOM 0 HZ3 LYS A 76 -5.621 4.064 -11.907 1.00 33.14 H new ATOM 1241 N ILE A 77 -8.635 -0.856 -8.594 1.00 73.54 N ATOM 1242 CA ILE A 77 -9.475 -1.771 -7.823 1.00 62.02 C ATOM 1243 C ILE A 77 -10.748 -1.048 -7.373 1.00 33.00 C ATOM 1244 O ILE A 77 -10.679 0.059 -6.832 1.00 52.20 O ATOM 1245 CB ILE A 77 -8.714 -2.318 -6.578 1.00 63.20 C ATOM 1246 CG1 ILE A 77 -7.520 -3.193 -7.005 1.00 4.52 C ATOM 1247 CG2 ILE A 77 -9.652 -3.099 -5.655 1.00 61.22 C ATOM 1248 CD1 ILE A 77 -6.691 -3.714 -5.846 1.00 43.54 C ATOM 0 H ILE A 77 -8.621 0.097 -8.232 1.00 73.54 H new ATOM 0 HA ILE A 77 -9.737 -2.615 -8.462 1.00 62.02 H new ATOM 0 HB ILE A 77 -8.330 -1.463 -6.022 1.00 63.20 H new ATOM 0 HG12 ILE A 77 -7.891 -4.040 -7.582 1.00 4.52 H new ATOM 0 HG13 ILE A 77 -6.877 -2.614 -7.667 1.00 4.52 H new ATOM 0 HG21 ILE A 77 -9.092 -3.468 -4.795 1.00 61.22 H new ATOM 0 HG22 ILE A 77 -10.453 -2.444 -5.312 1.00 61.22 H new ATOM 0 HG23 ILE A 77 -10.079 -3.942 -6.199 1.00 61.22 H new ATOM 0 HD11 ILE A 77 -5.871 -4.321 -6.229 1.00 43.54 H new ATOM 0 HD12 ILE A 77 -6.288 -2.874 -5.280 1.00 43.54 H new ATOM 0 HD13 ILE A 77 -7.318 -4.322 -5.194 1.00 43.54 H new ATOM 1260 N SER A 78 -11.901 -1.681 -7.589 1.00 70.14 N ATOM 1261 CA SER A 78 -13.193 -1.067 -7.292 1.00 54.44 C ATOM 1262 C SER A 78 -13.340 -0.785 -5.792 1.00 13.44 C ATOM 1263 O SER A 78 -13.546 0.360 -5.386 1.00 42.10 O ATOM 1264 CB SER A 78 -14.332 -1.974 -7.777 1.00 1.22 C ATOM 1265 OG SER A 78 -14.115 -2.396 -9.116 1.00 12.31 O ATOM 0 H SER A 78 -11.965 -2.625 -7.971 1.00 70.14 H new ATOM 0 HA SER A 78 -13.246 -0.115 -7.820 1.00 54.44 H new ATOM 0 HB2 SER A 78 -14.410 -2.845 -7.126 1.00 1.22 H new ATOM 0 HB3 SER A 78 -15.280 -1.440 -7.710 1.00 1.22 H new ATOM 0 HG SER A 78 -13.524 -3.178 -9.121 1.00 12.31 H new ATOM 1271 N THR A 79 -13.212 -1.830 -4.971 1.00 5.34 N ATOM 1272 CA THR A 79 -13.351 -1.695 -3.519 1.00 34.23 C ATOM 1273 C THR A 79 -12.341 -0.683 -2.962 1.00 5.54 C ATOM 1274 O THR A 79 -12.567 -0.070 -1.918 1.00 52.42 O ATOM 1275 CB THR A 79 -13.193 -3.064 -2.803 1.00 0.22 C ATOM 1276 OG1 THR A 79 -13.369 -2.922 -1.386 1.00 23.31 O ATOM 1277 CG2 THR A 79 -11.829 -3.687 -3.085 1.00 24.15 C ATOM 0 H THR A 79 -13.012 -2.779 -5.287 1.00 5.34 H new ATOM 0 HA THR A 79 -14.357 -1.325 -3.322 1.00 34.23 H new ATOM 0 HB THR A 79 -13.966 -3.724 -3.197 1.00 0.22 H new ATOM 0 HG1 THR A 79 -13.267 -3.796 -0.954 1.00 23.31 H new ATOM 0 HG21 THR A 79 -11.752 -4.644 -2.569 1.00 24.15 H new ATOM 0 HG22 THR A 79 -11.715 -3.843 -4.158 1.00 24.15 H new ATOM 0 HG23 THR A 79 -11.044 -3.019 -2.730 1.00 24.15 H new ATOM 1285 N LEU A 80 -11.237 -0.498 -3.684 1.00 4.33 N ATOM 1286 CA LEU A 80 -10.229 0.488 -3.314 1.00 52.35 C ATOM 1287 C LEU A 80 -10.764 1.897 -3.548 1.00 4.30 C ATOM 1288 O LEU A 80 -10.689 2.751 -2.666 1.00 44.23 O ATOM 1289 CB LEU A 80 -8.943 0.263 -4.121 1.00 61.21 C ATOM 1290 CG LEU A 80 -7.885 1.369 -4.003 1.00 43.23 C ATOM 1291 CD1 LEU A 80 -7.497 1.596 -2.546 1.00 40.11 C ATOM 1292 CD2 LEU A 80 -6.658 1.029 -4.848 1.00 74.45 C ATOM 0 H LEU A 80 -11.019 -1.022 -4.532 1.00 4.33 H new ATOM 0 HA LEU A 80 -9.997 0.374 -2.255 1.00 52.35 H new ATOM 0 HB2 LEU A 80 -8.496 -0.679 -3.803 1.00 61.21 H new ATOM 0 HB3 LEU A 80 -9.210 0.150 -5.172 1.00 61.21 H new ATOM 0 HG LEU A 80 -8.315 2.296 -4.383 1.00 43.23 H new ATOM 0 HD11 LEU A 80 -6.746 2.384 -2.488 1.00 40.11 H new ATOM 0 HD12 LEU A 80 -8.378 1.892 -1.977 1.00 40.11 H new ATOM 0 HD13 LEU A 80 -7.089 0.675 -2.130 1.00 40.11 H new ATOM 0 HD21 LEU A 80 -5.919 1.824 -4.752 1.00 74.45 H new ATOM 0 HD22 LEU A 80 -6.227 0.089 -4.502 1.00 74.45 H new ATOM 0 HD23 LEU A 80 -6.952 0.931 -5.893 1.00 74.45 H new ATOM 1304 N ASP A 81 -11.312 2.120 -4.741 1.00 0.34 N ATOM 1305 CA ASP A 81 -11.902 3.412 -5.103 1.00 1.51 C ATOM 1306 C ASP A 81 -12.941 3.822 -4.062 1.00 12.42 C ATOM 1307 O ASP A 81 -13.038 4.990 -3.678 1.00 21.33 O ATOM 1308 CB ASP A 81 -12.538 3.324 -6.497 1.00 64.12 C ATOM 1309 CG ASP A 81 -13.118 4.647 -6.976 1.00 3.54 C ATOM 1310 OD1 ASP A 81 -12.334 5.551 -7.343 1.00 72.13 O ATOM 1311 OD2 ASP A 81 -14.360 4.779 -7.023 1.00 52.44 O ATOM 0 H ASP A 81 -11.361 1.418 -5.480 1.00 0.34 H new ATOM 0 HA ASP A 81 -11.119 4.170 -5.126 1.00 1.51 H new ATOM 0 HB2 ASP A 81 -11.788 2.984 -7.211 1.00 64.12 H new ATOM 0 HB3 ASP A 81 -13.328 2.573 -6.482 1.00 64.12 H new ATOM 1316 N GLU A 82 -13.697 2.836 -3.595 1.00 44.35 N ATOM 1317 CA GLU A 82 -14.691 3.037 -2.544 1.00 11.12 C ATOM 1318 C GLU A 82 -14.015 3.421 -1.226 1.00 71.43 C ATOM 1319 O GLU A 82 -14.412 4.384 -0.566 1.00 75.25 O ATOM 1320 CB GLU A 82 -15.507 1.752 -2.358 1.00 41.32 C ATOM 1321 CG GLU A 82 -16.226 1.283 -3.623 1.00 22.34 C ATOM 1322 CD GLU A 82 -17.443 2.127 -3.968 1.00 74.14 C ATOM 1323 OE1 GLU A 82 -17.288 3.334 -4.233 1.00 72.41 O ATOM 1324 OE2 GLU A 82 -18.567 1.577 -3.986 1.00 64.32 O ATOM 0 H GLU A 82 -13.640 1.875 -3.933 1.00 44.35 H new ATOM 0 HA GLU A 82 -15.354 3.851 -2.839 1.00 11.12 H new ATOM 0 HB2 GLU A 82 -14.843 0.959 -2.015 1.00 41.32 H new ATOM 0 HB3 GLU A 82 -16.245 1.913 -1.572 1.00 41.32 H new ATOM 0 HG2 GLU A 82 -15.528 1.305 -4.460 1.00 22.34 H new ATOM 0 HG3 GLU A 82 -16.536 0.246 -3.494 1.00 22.34 H new ATOM 1331 N TYR A 83 -12.984 2.665 -0.866 1.00 74.14 N ATOM 1332 CA TYR A 83 -12.253 2.876 0.384 1.00 41.42 C ATOM 1333 C TYR A 83 -11.633 4.275 0.426 1.00 35.35 C ATOM 1334 O TYR A 83 -11.582 4.910 1.481 1.00 44.31 O ATOM 1335 CB TYR A 83 -11.169 1.801 0.532 1.00 34.21 C ATOM 1336 CG TYR A 83 -10.344 1.902 1.805 1.00 51.31 C ATOM 1337 CD1 TYR A 83 -10.894 1.576 3.040 1.00 65.35 C ATOM 1338 CD2 TYR A 83 -9.011 2.305 1.769 1.00 51.34 C ATOM 1339 CE1 TYR A 83 -10.145 1.654 4.198 1.00 44.20 C ATOM 1340 CE2 TYR A 83 -8.257 2.385 2.925 1.00 42.13 C ATOM 1341 CZ TYR A 83 -8.829 2.058 4.136 1.00 42.42 C ATOM 1342 OH TYR A 83 -8.079 2.127 5.290 1.00 11.33 O ATOM 0 H TYR A 83 -12.630 1.891 -1.428 1.00 74.14 H new ATOM 0 HA TYR A 83 -12.951 2.797 1.217 1.00 41.42 H new ATOM 0 HB2 TYR A 83 -11.643 0.820 0.499 1.00 34.21 H new ATOM 0 HB3 TYR A 83 -10.498 1.860 -0.325 1.00 34.21 H new ATOM 0 HD1 TYR A 83 -11.924 1.256 3.095 1.00 65.35 H new ATOM 0 HD2 TYR A 83 -8.559 2.559 0.822 1.00 51.34 H new ATOM 0 HE1 TYR A 83 -10.589 1.399 5.149 1.00 44.20 H new ATOM 0 HE2 TYR A 83 -7.226 2.702 2.880 1.00 42.13 H new ATOM 0 HH TYR A 83 -7.351 2.772 5.169 1.00 11.33 H new ATOM 1352 N ILE A 84 -11.173 4.750 -0.730 1.00 22.44 N ATOM 1353 CA ILE A 84 -10.565 6.076 -0.834 1.00 61.22 C ATOM 1354 C ILE A 84 -11.587 7.160 -0.502 1.00 73.43 C ATOM 1355 O ILE A 84 -11.279 8.118 0.213 1.00 71.21 O ATOM 1356 CB ILE A 84 -9.982 6.327 -2.252 1.00 61.34 C ATOM 1357 CG1 ILE A 84 -8.878 5.303 -2.571 1.00 42.03 C ATOM 1358 CG2 ILE A 84 -9.447 7.753 -2.378 1.00 61.23 C ATOM 1359 CD1 ILE A 84 -7.730 5.303 -1.582 1.00 64.44 C ATOM 0 H ILE A 84 -11.210 4.235 -1.610 1.00 22.44 H new ATOM 0 HA ILE A 84 -9.747 6.116 -0.115 1.00 61.22 H new ATOM 0 HB ILE A 84 -10.787 6.203 -2.977 1.00 61.34 H new ATOM 0 HG12 ILE A 84 -9.319 4.307 -2.600 1.00 42.03 H new ATOM 0 HG13 ILE A 84 -8.485 5.507 -3.567 1.00 42.03 H new ATOM 0 HG21 ILE A 84 -9.044 7.903 -3.380 1.00 61.23 H new ATOM 0 HG22 ILE A 84 -10.256 8.462 -2.202 1.00 61.23 H new ATOM 0 HG23 ILE A 84 -8.659 7.912 -1.642 1.00 61.23 H new ATOM 0 HD11 ILE A 84 -6.995 4.554 -1.878 1.00 64.44 H new ATOM 0 HD12 ILE A 84 -7.261 6.287 -1.569 1.00 64.44 H new ATOM 0 HD13 ILE A 84 -8.107 5.068 -0.587 1.00 64.44 H new ATOM 1371 N TYR A 85 -12.812 6.980 -0.998 1.00 22.41 N ATOM 1372 CA TYR A 85 -13.896 7.942 -0.787 1.00 2.43 C ATOM 1373 C TYR A 85 -14.164 8.162 0.704 1.00 24.11 C ATOM 1374 O TYR A 85 -14.636 9.231 1.110 1.00 61.55 O ATOM 1375 CB TYR A 85 -15.175 7.457 -1.495 1.00 71.15 C ATOM 1376 CG TYR A 85 -16.415 8.275 -1.171 1.00 12.41 C ATOM 1377 CD1 TYR A 85 -16.573 9.566 -1.665 1.00 12.23 C ATOM 1378 CD2 TYR A 85 -17.422 7.758 -0.359 1.00 54.44 C ATOM 1379 CE1 TYR A 85 -17.698 10.314 -1.366 1.00 1.42 C ATOM 1380 CE2 TYR A 85 -18.546 8.500 -0.054 1.00 33.21 C ATOM 1381 CZ TYR A 85 -18.680 9.776 -0.558 1.00 4.33 C ATOM 1382 OH TYR A 85 -19.799 10.518 -0.254 1.00 62.21 O ATOM 0 H TYR A 85 -13.080 6.168 -1.554 1.00 22.41 H new ATOM 0 HA TYR A 85 -13.590 8.897 -1.214 1.00 2.43 H new ATOM 0 HB2 TYR A 85 -15.011 7.478 -2.572 1.00 71.15 H new ATOM 0 HB3 TYR A 85 -15.357 6.418 -1.221 1.00 71.15 H new ATOM 0 HD1 TYR A 85 -15.804 9.992 -2.293 1.00 12.23 H new ATOM 0 HD2 TYR A 85 -17.322 6.759 0.039 1.00 54.44 H new ATOM 0 HE1 TYR A 85 -17.807 11.313 -1.762 1.00 1.42 H new ATOM 0 HE2 TYR A 85 -19.317 8.082 0.577 1.00 33.21 H new ATOM 0 HH TYR A 85 -20.392 9.994 0.323 1.00 62.21 H new ATOM 1392 N GLU A 86 -13.862 7.156 1.514 1.00 24.15 N ATOM 1393 CA GLU A 86 -14.134 7.216 2.946 1.00 43.14 C ATOM 1394 C GLU A 86 -13.100 8.084 3.675 1.00 63.04 C ATOM 1395 O GLU A 86 -13.334 8.513 4.806 1.00 53.44 O ATOM 1396 CB GLU A 86 -14.156 5.800 3.547 1.00 15.13 C ATOM 1397 CG GLU A 86 -15.019 4.811 2.767 1.00 3.35 C ATOM 1398 CD GLU A 86 -15.182 3.468 3.468 1.00 20.30 C ATOM 1399 OE1 GLU A 86 -14.163 2.803 3.763 1.00 71.35 O ATOM 1400 OE2 GLU A 86 -16.341 3.054 3.705 1.00 40.42 O ATOM 0 H GLU A 86 -13.428 6.287 1.204 1.00 24.15 H new ATOM 0 HA GLU A 86 -15.114 7.674 3.080 1.00 43.14 H new ATOM 0 HB2 GLU A 86 -13.136 5.419 3.593 1.00 15.13 H new ATOM 0 HB3 GLU A 86 -14.522 5.857 4.572 1.00 15.13 H new ATOM 0 HG2 GLU A 86 -16.004 5.249 2.603 1.00 3.35 H new ATOM 0 HG3 GLU A 86 -14.575 4.649 1.785 1.00 3.35 H new ATOM 1407 N TYR A 87 -11.962 8.355 3.027 1.00 33.22 N ATOM 1408 CA TYR A 87 -10.860 9.071 3.681 1.00 54.21 C ATOM 1409 C TYR A 87 -10.308 10.199 2.809 1.00 44.14 C ATOM 1410 O TYR A 87 -10.598 11.377 3.043 1.00 5.01 O ATOM 1411 CB TYR A 87 -9.734 8.091 4.057 1.00 42.21 C ATOM 1412 CG TYR A 87 -10.195 6.987 4.991 1.00 72.33 C ATOM 1413 CD1 TYR A 87 -10.152 7.148 6.373 1.00 4.23 C ATOM 1414 CD2 TYR A 87 -10.706 5.797 4.487 1.00 5.12 C ATOM 1415 CE1 TYR A 87 -10.605 6.154 7.220 1.00 11.22 C ATOM 1416 CE2 TYR A 87 -11.152 4.802 5.327 1.00 23.15 C ATOM 1417 CZ TYR A 87 -11.104 4.984 6.690 1.00 63.02 C ATOM 1418 OH TYR A 87 -11.571 3.994 7.519 1.00 24.04 O ATOM 0 H TYR A 87 -11.780 8.092 2.058 1.00 33.22 H new ATOM 0 HA TYR A 87 -11.261 9.525 4.587 1.00 54.21 H new ATOM 0 HB2 TYR A 87 -9.330 7.645 3.148 1.00 42.21 H new ATOM 0 HB3 TYR A 87 -8.922 8.644 4.530 1.00 42.21 H new ATOM 0 HD1 TYR A 87 -9.759 8.063 6.790 1.00 4.23 H new ATOM 0 HD2 TYR A 87 -10.754 5.650 3.418 1.00 5.12 H new ATOM 0 HE1 TYR A 87 -10.568 6.293 8.290 1.00 11.22 H new ATOM 0 HE2 TYR A 87 -11.539 3.881 4.917 1.00 23.15 H new ATOM 0 HH TYR A 87 -11.888 3.239 6.981 1.00 24.04 H new ATOM 1428 N CYS A 88 -9.522 9.845 1.798 1.00 22.21 N ATOM 1429 CA CYS A 88 -8.797 10.844 1.019 1.00 71.01 C ATOM 1430 C CYS A 88 -9.633 11.393 -0.132 1.00 62.33 C ATOM 1431 O CYS A 88 -9.738 10.777 -1.193 1.00 31.11 O ATOM 1432 CB CYS A 88 -7.467 10.285 0.494 1.00 1.34 C ATOM 1433 SG CYS A 88 -6.201 9.926 1.769 1.00 23.23 S ATOM 0 H CYS A 88 -9.371 8.881 1.500 1.00 22.21 H new ATOM 0 HA CYS A 88 -8.582 11.671 1.696 1.00 71.01 H new ATOM 0 HB2 CYS A 88 -7.672 9.367 -0.058 1.00 1.34 H new ATOM 0 HB3 CYS A 88 -7.049 10.998 -0.217 1.00 1.34 H new ATOM 1438 N ASN A 89 -10.240 12.556 0.098 1.00 33.22 N ATOM 1439 CA ASN A 89 -10.980 13.268 -0.945 1.00 50.33 C ATOM 1440 C ASN A 89 -10.399 14.668 -1.120 1.00 43.12 C ATOM 1441 O ASN A 89 -10.339 15.198 -2.230 1.00 63.54 O ATOM 1442 CB ASN A 89 -12.480 13.371 -0.606 1.00 42.52 C ATOM 1443 CG ASN A 89 -13.116 12.035 -0.238 1.00 35.23 C ATOM 1444 OD1 ASN A 89 -12.524 11.215 0.459 1.00 72.40 O ATOM 1445 ND2 ASN A 89 -14.329 11.803 -0.708 1.00 10.32 N ATOM 0 H ASN A 89 -10.234 13.028 1.002 1.00 33.22 H new ATOM 0 HA ASN A 89 -10.882 12.703 -1.872 1.00 50.33 H new ATOM 0 HB2 ASN A 89 -12.610 14.066 0.223 1.00 42.52 H new ATOM 0 HB3 ASN A 89 -13.009 13.792 -1.461 1.00 42.52 H new ATOM 0 HD21 ASN A 89 -14.799 10.923 -0.494 1.00 10.32 H new ATOM 0 HD22 ASN A 89 -14.795 12.504 -1.284 1.00 10.32 H new ATOM 1452 N PHE A 90 -9.966 15.262 -0.007 1.00 51.03 N ATOM 1453 CA PHE A 90 -9.414 16.618 -0.009 1.00 42.14 C ATOM 1454 C PHE A 90 -8.193 16.699 0.915 1.00 33.30 C ATOM 1455 O PHE A 90 -8.310 16.497 2.126 1.00 64.43 O ATOM 1456 CB PHE A 90 -10.491 17.620 0.438 1.00 4.13 C ATOM 1457 CG PHE A 90 -10.011 19.052 0.541 1.00 2.43 C ATOM 1458 CD1 PHE A 90 -9.856 19.831 -0.598 1.00 72.33 C ATOM 1459 CD2 PHE A 90 -9.717 19.617 1.778 1.00 24.24 C ATOM 1460 CE1 PHE A 90 -9.419 21.140 -0.505 1.00 52.42 C ATOM 1461 CE2 PHE A 90 -9.281 20.926 1.872 1.00 32.32 C ATOM 1462 CZ PHE A 90 -9.132 21.687 0.730 1.00 63.21 C ATOM 0 H PHE A 90 -9.987 14.822 0.913 1.00 51.03 H new ATOM 0 HA PHE A 90 -9.096 16.869 -1.021 1.00 42.14 H new ATOM 0 HB2 PHE A 90 -11.323 17.578 -0.265 1.00 4.13 H new ATOM 0 HB3 PHE A 90 -10.878 17.309 1.408 1.00 4.13 H new ATOM 0 HD1 PHE A 90 -10.079 19.410 -1.567 1.00 72.33 H new ATOM 0 HD2 PHE A 90 -9.831 19.026 2.675 1.00 24.24 H new ATOM 0 HE1 PHE A 90 -9.302 21.735 -1.399 1.00 52.42 H new ATOM 0 HE2 PHE A 90 -9.057 21.353 2.839 1.00 32.32 H new ATOM 0 HZ PHE A 90 -8.791 22.709 0.802 1.00 63.21 H new ATOM 1472 N GLY A 91 -7.022 16.961 0.331 1.00 35.00 N ATOM 1473 CA GLY A 91 -5.797 17.115 1.111 1.00 70.43 C ATOM 1474 C GLY A 91 -5.196 15.786 1.544 1.00 24.14 C ATOM 1475 O GLY A 91 -3.980 15.599 1.497 1.00 30.13 O ATOM 0 H GLY A 91 -6.898 17.070 -0.676 1.00 35.00 H new ATOM 0 HA2 GLY A 91 -5.063 17.664 0.520 1.00 70.43 H new ATOM 0 HA3 GLY A 91 -6.009 17.717 1.995 1.00 70.43 H new ATOM 1479 N CYS A 92 -6.057 14.880 1.990 1.00 31.04 N ATOM 1480 CA CYS A 92 -5.660 13.536 2.404 1.00 62.22 C ATOM 1481 C CYS A 92 -4.919 12.829 1.270 1.00 13.12 C ATOM 1482 O CYS A 92 -5.392 12.805 0.132 1.00 0.30 O ATOM 1483 CB CYS A 92 -6.918 12.761 2.802 1.00 11.35 C ATOM 1484 SG CYS A 92 -6.661 11.056 3.406 1.00 20.24 S ATOM 0 H CYS A 92 -7.058 15.056 2.076 1.00 31.04 H new ATOM 0 HA CYS A 92 -4.982 13.591 3.256 1.00 62.22 H new ATOM 0 HB2 CYS A 92 -7.436 13.325 3.578 1.00 11.35 H new ATOM 0 HB3 CYS A 92 -7.583 12.722 1.939 1.00 11.35 H new ATOM 1489 N ALA A 93 -3.756 12.271 1.585 1.00 5.33 N ATOM 1490 CA ALA A 93 -2.903 11.629 0.590 1.00 23.32 C ATOM 1491 C ALA A 93 -2.835 10.122 0.820 1.00 20.23 C ATOM 1492 O ALA A 93 -3.169 9.639 1.905 1.00 53.01 O ATOM 1493 CB ALA A 93 -1.510 12.243 0.634 1.00 1.14 C ATOM 0 H ALA A 93 -3.378 12.250 2.532 1.00 5.33 H new ATOM 0 HA ALA A 93 -3.333 11.795 -0.398 1.00 23.32 H new ATOM 0 HB1 ALA A 93 -0.876 11.761 -0.110 1.00 1.14 H new ATOM 0 HB2 ALA A 93 -1.576 13.310 0.419 1.00 1.14 H new ATOM 0 HB3 ALA A 93 -1.080 12.099 1.625 1.00 1.14 H new ATOM 1499 N TYR A 94 -2.393 9.386 -0.200 1.00 24.53 N ATOM 1500 CA TYR A 94 -2.259 7.935 -0.102 1.00 73.25 C ATOM 1501 C TYR A 94 -1.380 7.396 -1.233 1.00 61.40 C ATOM 1502 O TYR A 94 -0.954 8.149 -2.116 1.00 23.24 O ATOM 1503 CB TYR A 94 -3.640 7.253 -0.131 1.00 42.15 C ATOM 1504 CG TYR A 94 -4.387 7.399 -1.446 1.00 61.44 C ATOM 1505 CD1 TYR A 94 -4.221 6.471 -2.468 1.00 31.13 C ATOM 1506 CD2 TYR A 94 -5.257 8.463 -1.665 1.00 54.24 C ATOM 1507 CE1 TYR A 94 -4.895 6.598 -3.665 1.00 44.30 C ATOM 1508 CE2 TYR A 94 -5.934 8.596 -2.862 1.00 60.30 C ATOM 1509 CZ TYR A 94 -5.751 7.661 -3.858 1.00 75.45 C ATOM 1510 OH TYR A 94 -6.412 7.793 -5.056 1.00 3.33 O ATOM 0 H TYR A 94 -2.122 9.773 -1.104 1.00 24.53 H new ATOM 0 HA TYR A 94 -1.781 7.706 0.850 1.00 73.25 H new ATOM 0 HB2 TYR A 94 -3.512 6.192 0.084 1.00 42.15 H new ATOM 0 HB3 TYR A 94 -4.253 7.668 0.669 1.00 42.15 H new ATOM 0 HD1 TYR A 94 -3.552 5.636 -2.322 1.00 31.13 H new ATOM 0 HD2 TYR A 94 -5.405 9.197 -0.887 1.00 54.24 H new ATOM 0 HE1 TYR A 94 -4.753 5.868 -4.448 1.00 44.30 H new ATOM 0 HE2 TYR A 94 -6.604 9.429 -3.017 1.00 60.30 H new ATOM 0 HH TYR A 94 -5.846 7.454 -5.781 1.00 3.33 H new ATOM 1520 N PHE A 95 -1.124 6.089 -1.203 1.00 70.35 N ATOM 1521 CA PHE A 95 -0.311 5.422 -2.222 1.00 41.44 C ATOM 1522 C PHE A 95 -0.764 3.974 -2.404 1.00 40.24 C ATOM 1523 O PHE A 95 -1.287 3.368 -1.467 1.00 34.54 O ATOM 1524 CB PHE A 95 1.173 5.465 -1.833 1.00 52.54 C ATOM 1525 CG PHE A 95 1.479 4.834 -0.493 1.00 41.44 C ATOM 1526 CD1 PHE A 95 1.347 5.565 0.680 1.00 30.55 C ATOM 1527 CD2 PHE A 95 1.903 3.515 -0.407 1.00 74.44 C ATOM 1528 CE1 PHE A 95 1.631 4.994 1.905 1.00 31.20 C ATOM 1529 CE2 PHE A 95 2.188 2.940 0.815 1.00 55.41 C ATOM 1530 CZ PHE A 95 2.052 3.682 1.973 1.00 20.41 C ATOM 0 H PHE A 95 -1.472 5.464 -0.476 1.00 70.35 H new ATOM 0 HA PHE A 95 -0.442 5.950 -3.167 1.00 41.44 H new ATOM 0 HB2 PHE A 95 1.754 4.957 -2.603 1.00 52.54 H new ATOM 0 HB3 PHE A 95 1.503 6.504 -1.817 1.00 52.54 H new ATOM 0 HD1 PHE A 95 1.018 6.593 0.634 1.00 30.55 H new ATOM 0 HD2 PHE A 95 2.011 2.931 -1.309 1.00 74.44 H new ATOM 0 HE1 PHE A 95 1.524 5.574 2.809 1.00 31.20 H new ATOM 0 HE2 PHE A 95 2.517 1.912 0.866 1.00 55.41 H new ATOM 0 HZ PHE A 95 2.275 3.235 2.931 1.00 20.41 H new ATOM 1540 N VAL A 96 -0.566 3.428 -3.607 1.00 43.40 N ATOM 1541 CA VAL A 96 -0.970 2.054 -3.919 1.00 74.03 C ATOM 1542 C VAL A 96 0.200 1.253 -4.503 1.00 63.35 C ATOM 1543 O VAL A 96 0.789 1.644 -5.518 1.00 24.20 O ATOM 1544 CB VAL A 96 -2.151 2.029 -4.926 1.00 65.05 C ATOM 1545 CG1 VAL A 96 -2.593 0.594 -5.223 1.00 74.40 C ATOM 1546 CG2 VAL A 96 -3.323 2.868 -4.416 1.00 41.30 C ATOM 0 H VAL A 96 -0.126 3.920 -4.385 1.00 43.40 H new ATOM 0 HA VAL A 96 -1.289 1.596 -2.982 1.00 74.03 H new ATOM 0 HB VAL A 96 -1.802 2.470 -5.860 1.00 65.05 H new ATOM 0 HG11 VAL A 96 -3.422 0.608 -5.931 1.00 74.40 H new ATOM 0 HG12 VAL A 96 -1.759 0.038 -5.651 1.00 74.40 H new ATOM 0 HG13 VAL A 96 -2.914 0.113 -4.299 1.00 74.40 H new ATOM 0 HG21 VAL A 96 -4.137 2.834 -5.140 1.00 41.30 H new ATOM 0 HG22 VAL A 96 -3.668 2.469 -3.462 1.00 41.30 H new ATOM 0 HG23 VAL A 96 -3.000 3.900 -4.282 1.00 41.30 H new ATOM 1556 N LEU A 97 0.527 0.137 -3.850 1.00 73.01 N ATOM 1557 CA LEU A 97 1.564 -0.783 -4.320 1.00 75.45 C ATOM 1558 C LEU A 97 0.932 -2.057 -4.884 1.00 10.32 C ATOM 1559 O LEU A 97 0.011 -2.618 -4.287 1.00 13.14 O ATOM 1560 CB LEU A 97 2.535 -1.143 -3.177 1.00 53.14 C ATOM 1561 CG LEU A 97 3.748 -0.213 -3.007 1.00 12.40 C ATOM 1562 CD1 LEU A 97 3.318 1.230 -2.769 1.00 54.14 C ATOM 1563 CD2 LEU A 97 4.641 -0.707 -1.869 1.00 14.43 C ATOM 0 H LEU A 97 0.081 -0.155 -2.980 1.00 73.01 H new ATOM 0 HA LEU A 97 2.125 -0.284 -5.110 1.00 75.45 H new ATOM 0 HB2 LEU A 97 1.976 -1.153 -2.241 1.00 53.14 H new ATOM 0 HB3 LEU A 97 2.899 -2.157 -3.342 1.00 53.14 H new ATOM 0 HG LEU A 97 4.319 -0.235 -3.935 1.00 12.40 H new ATOM 0 HD11 LEU A 97 4.201 1.858 -2.653 1.00 54.14 H new ATOM 0 HD12 LEU A 97 2.732 1.580 -3.619 1.00 54.14 H new ATOM 0 HD13 LEU A 97 2.713 1.285 -1.864 1.00 54.14 H new ATOM 0 HD21 LEU A 97 5.495 -0.039 -1.761 1.00 14.43 H new ATOM 0 HD22 LEU A 97 4.072 -0.722 -0.940 1.00 14.43 H new ATOM 0 HD23 LEU A 97 4.994 -1.713 -2.094 1.00 14.43 H new ATOM 1575 N LYS A 98 1.434 -2.500 -6.035 1.00 60.23 N ATOM 1576 CA LYS A 98 0.960 -3.722 -6.689 1.00 52.42 C ATOM 1577 C LYS A 98 2.024 -4.817 -6.601 1.00 73.02 C ATOM 1578 O LYS A 98 3.217 -4.539 -6.723 1.00 62.22 O ATOM 1579 CB LYS A 98 0.634 -3.436 -8.162 1.00 0.41 C ATOM 1580 CG LYS A 98 0.196 -4.664 -8.961 1.00 25.33 C ATOM 1581 CD LYS A 98 0.072 -4.353 -10.451 1.00 43.34 C ATOM 1582 CE LYS A 98 -0.344 -5.578 -11.261 1.00 43.04 C ATOM 1583 NZ LYS A 98 -1.739 -6.007 -10.971 1.00 4.14 N ATOM 0 H LYS A 98 2.180 -2.024 -6.542 1.00 60.23 H new ATOM 0 HA LYS A 98 0.058 -4.062 -6.180 1.00 52.42 H new ATOM 0 HB2 LYS A 98 -0.156 -2.687 -8.208 1.00 0.41 H new ATOM 0 HB3 LYS A 98 1.513 -3.002 -8.639 1.00 0.41 H new ATOM 0 HG2 LYS A 98 0.917 -5.469 -8.816 1.00 25.33 H new ATOM 0 HG3 LYS A 98 -0.762 -5.022 -8.583 1.00 25.33 H new ATOM 0 HD2 LYS A 98 -0.660 -3.558 -10.595 1.00 43.34 H new ATOM 0 HD3 LYS A 98 1.026 -3.980 -10.823 1.00 43.34 H new ATOM 0 HE2 LYS A 98 -0.249 -5.356 -12.324 1.00 43.04 H new ATOM 0 HE3 LYS A 98 0.338 -6.401 -11.045 1.00 43.04 H new ATOM 0 HZ1 LYS A 98 -2.060 -6.665 -11.709 1.00 4.14 H new ATOM 0 HZ2 LYS A 98 -1.771 -6.481 -10.046 1.00 4.14 H new ATOM 0 HZ3 LYS A 98 -2.362 -5.174 -10.955 1.00 4.14 H new ATOM 1597 N ARG A 99 1.590 -6.053 -6.388 1.00 43.41 N ATOM 1598 CA ARG A 99 2.498 -7.195 -6.310 1.00 72.40 C ATOM 1599 C ARG A 99 2.985 -7.605 -7.697 1.00 61.35 C ATOM 1600 O ARG A 99 2.186 -7.801 -8.615 1.00 55.34 O ATOM 1601 CB ARG A 99 1.794 -8.374 -5.635 1.00 24.32 C ATOM 1602 CG ARG A 99 2.640 -9.639 -5.524 1.00 54.34 C ATOM 1603 CD ARG A 99 3.873 -9.433 -4.653 1.00 55.12 C ATOM 1604 NE ARG A 99 4.590 -10.692 -4.444 1.00 51.14 N ATOM 1605 CZ ARG A 99 5.713 -11.035 -5.071 1.00 44.53 C ATOM 1606 NH1 ARG A 99 6.318 -10.179 -5.888 1.00 52.11 N ATOM 1607 NH2 ARG A 99 6.242 -12.234 -4.862 1.00 41.24 N ATOM 0 H ARG A 99 0.606 -6.293 -6.265 1.00 43.41 H new ATOM 0 HA ARG A 99 3.365 -6.902 -5.718 1.00 72.40 H new ATOM 0 HB2 ARG A 99 1.484 -8.071 -4.635 1.00 24.32 H new ATOM 0 HB3 ARG A 99 0.887 -8.607 -6.193 1.00 24.32 H new ATOM 0 HG2 ARG A 99 2.034 -10.444 -5.108 1.00 54.34 H new ATOM 0 HG3 ARG A 99 2.950 -9.955 -6.520 1.00 54.34 H new ATOM 0 HD2 ARG A 99 4.537 -8.707 -5.123 1.00 55.12 H new ATOM 0 HD3 ARG A 99 3.576 -9.016 -3.690 1.00 55.12 H new ATOM 0 HE ARG A 99 4.202 -11.353 -3.771 1.00 51.14 H new ATOM 0 HH11 ARG A 99 5.922 -9.251 -6.039 1.00 52.11 H new ATOM 0 HH12 ARG A 99 7.178 -10.450 -6.364 1.00 52.11 H new ATOM 0 HH21 ARG A 99 5.788 -12.887 -4.224 1.00 41.24 H new ATOM 0 HH22 ARG A 99 7.102 -12.502 -5.340 1.00 41.24 H new ATOM 1621 N ILE A 100 4.297 -7.721 -7.839 1.00 45.11 N ATOM 1622 CA ILE A 100 4.911 -8.202 -9.070 1.00 64.15 C ATOM 1623 C ILE A 100 4.802 -9.727 -9.144 1.00 21.33 C ATOM 1624 O ILE A 100 4.705 -10.395 -8.115 1.00 34.51 O ATOM 1625 CB ILE A 100 6.401 -7.782 -9.137 1.00 43.33 C ATOM 1626 CG1 ILE A 100 6.546 -6.262 -8.958 1.00 52.12 C ATOM 1627 CG2 ILE A 100 7.039 -8.227 -10.449 1.00 4.43 C ATOM 1628 CD1 ILE A 100 5.804 -5.445 -9.993 1.00 73.03 C ATOM 0 H ILE A 100 4.966 -7.485 -7.106 1.00 45.11 H new ATOM 0 HA ILE A 100 4.385 -7.759 -9.915 1.00 64.15 H new ATOM 0 HB ILE A 100 6.925 -8.279 -8.320 1.00 43.33 H new ATOM 0 HG12 ILE A 100 6.185 -5.988 -7.967 1.00 52.12 H new ATOM 0 HG13 ILE A 100 7.604 -6.002 -8.995 1.00 52.12 H new ATOM 0 HG21 ILE A 100 8.084 -7.919 -10.468 1.00 4.43 H new ATOM 0 HG22 ILE A 100 6.979 -9.312 -10.533 1.00 4.43 H new ATOM 0 HG23 ILE A 100 6.510 -7.769 -11.285 1.00 4.43 H new ATOM 0 HD11 ILE A 100 5.957 -4.384 -9.797 1.00 73.03 H new ATOM 0 HD12 ILE A 100 6.180 -5.688 -10.987 1.00 73.03 H new ATOM 0 HD13 ILE A 100 4.739 -5.674 -9.942 1.00 73.03 H new ATOM 1640 N ARG A 101 4.821 -10.271 -10.359 1.00 74.44 N ATOM 1641 CA ARG A 101 4.701 -11.716 -10.567 1.00 12.45 C ATOM 1642 C ARG A 101 6.012 -12.436 -10.217 1.00 11.34 C ATOM 1643 O ARG A 101 6.074 -13.668 -10.199 1.00 15.25 O ATOM 1644 CB ARG A 101 4.315 -12.002 -12.027 1.00 50.32 C ATOM 1645 CG ARG A 101 3.918 -13.451 -12.298 1.00 61.22 C ATOM 1646 CD ARG A 101 2.662 -13.851 -11.527 1.00 31.20 C ATOM 1647 NE ARG A 101 1.532 -12.966 -11.828 1.00 1.45 N ATOM 1648 CZ ARG A 101 0.387 -12.934 -11.142 1.00 44.55 C ATOM 1649 NH1 ARG A 101 0.200 -13.755 -10.116 1.00 23.32 N ATOM 1650 NH2 ARG A 101 -0.571 -12.076 -11.489 1.00 54.55 N ATOM 0 H ARG A 101 4.919 -9.732 -11.219 1.00 74.44 H new ATOM 0 HA ARG A 101 3.921 -12.094 -9.906 1.00 12.45 H new ATOM 0 HB2 ARG A 101 3.486 -11.352 -12.306 1.00 50.32 H new ATOM 0 HB3 ARG A 101 5.155 -11.741 -12.671 1.00 50.32 H new ATOM 0 HG2 ARG A 101 3.747 -13.587 -13.366 1.00 61.22 H new ATOM 0 HG3 ARG A 101 4.740 -14.111 -12.020 1.00 61.22 H new ATOM 0 HD2 ARG A 101 2.395 -14.878 -11.775 1.00 31.20 H new ATOM 0 HD3 ARG A 101 2.869 -13.825 -10.457 1.00 31.20 H new ATOM 0 HE ARG A 101 1.628 -12.329 -12.619 1.00 1.45 H new ATOM 0 HH11 ARG A 101 0.932 -14.413 -9.849 1.00 23.32 H new ATOM 0 HH12 ARG A 101 -0.676 -13.728 -9.594 1.00 23.32 H new ATOM 0 HH21 ARG A 101 -0.429 -11.445 -12.278 1.00 54.55 H new ATOM 0 HH22 ARG A 101 -1.446 -12.050 -10.966 1.00 54.55 H new ATOM 1664 N LYS A 102 7.054 -11.660 -9.940 1.00 20.23 N ATOM 1665 CA LYS A 102 8.375 -12.205 -9.634 1.00 74.14 C ATOM 1666 C LYS A 102 8.693 -12.087 -8.143 1.00 73.41 C ATOM 1667 O LYS A 102 7.817 -11.809 -7.321 1.00 3.52 O ATOM 1668 CB LYS A 102 9.450 -11.483 -10.465 1.00 34.21 C ATOM 1669 CG LYS A 102 9.470 -11.886 -11.944 1.00 15.43 C ATOM 1670 CD LYS A 102 10.788 -12.559 -12.332 1.00 63.41 C ATOM 1671 CE LYS A 102 11.024 -13.856 -11.559 1.00 24.33 C ATOM 1672 NZ LYS A 102 12.366 -14.438 -11.838 1.00 2.12 N ATOM 0 H LYS A 102 7.010 -10.641 -9.921 1.00 20.23 H new ATOM 0 HA LYS A 102 8.372 -13.264 -9.894 1.00 74.14 H new ATOM 0 HB2 LYS A 102 9.288 -10.407 -10.394 1.00 34.21 H new ATOM 0 HB3 LYS A 102 10.428 -11.687 -10.030 1.00 34.21 H new ATOM 0 HG2 LYS A 102 8.642 -12.565 -12.147 1.00 15.43 H new ATOM 0 HG3 LYS A 102 9.317 -11.002 -12.564 1.00 15.43 H new ATOM 0 HD2 LYS A 102 10.785 -12.771 -13.401 1.00 63.41 H new ATOM 0 HD3 LYS A 102 11.613 -11.872 -12.146 1.00 63.41 H new ATOM 0 HE2 LYS A 102 10.928 -13.663 -10.490 1.00 24.33 H new ATOM 0 HE3 LYS A 102 10.253 -14.580 -11.823 1.00 24.33 H new ATOM 0 HZ1 LYS A 102 12.266 -15.448 -12.066 1.00 2.12 H new ATOM 0 HZ2 LYS A 102 12.799 -13.943 -12.644 1.00 2.12 H new ATOM 0 HZ3 LYS A 102 12.972 -14.331 -11.000 1.00 2.12 H new ATOM 1686 N LEU A 103 9.954 -12.321 -7.811 1.00 30.31 N ATOM 1687 CA LEU A 103 10.437 -12.244 -6.441 1.00 74.40 C ATOM 1688 C LEU A 103 11.941 -12.030 -6.494 1.00 31.21 C ATOM 1689 O LEU A 103 12.478 -11.076 -5.926 1.00 71.22 O ATOM 1690 CB LEU A 103 10.081 -13.538 -5.676 1.00 70.13 C ATOM 1691 CG LEU A 103 10.155 -13.463 -4.138 1.00 51.13 C ATOM 1692 CD1 LEU A 103 11.596 -13.395 -3.633 1.00 43.53 C ATOM 1693 CD2 LEU A 103 9.349 -12.269 -3.636 1.00 3.43 C ATOM 0 H LEU A 103 10.674 -12.571 -8.488 1.00 30.31 H new ATOM 0 HA LEU A 103 9.966 -11.417 -5.910 1.00 74.40 H new ATOM 0 HB2 LEU A 103 9.070 -13.834 -5.956 1.00 70.13 H new ATOM 0 HB3 LEU A 103 10.750 -14.330 -6.013 1.00 70.13 H new ATOM 0 HG LEU A 103 9.723 -14.381 -3.739 1.00 51.13 H new ATOM 0 HD11 LEU A 103 11.598 -13.343 -2.544 1.00 43.53 H new ATOM 0 HD12 LEU A 103 12.137 -14.285 -3.955 1.00 43.53 H new ATOM 0 HD13 LEU A 103 12.082 -12.508 -4.039 1.00 43.53 H new ATOM 0 HD21 LEU A 103 9.406 -12.223 -2.548 1.00 3.43 H new ATOM 0 HD22 LEU A 103 9.756 -11.351 -4.060 1.00 3.43 H new ATOM 0 HD23 LEU A 103 8.308 -12.379 -3.940 1.00 3.43 H new ATOM 1705 N GLU A 104 12.615 -12.943 -7.179 1.00 62.35 N ATOM 1706 CA GLU A 104 14.021 -12.782 -7.508 1.00 53.43 C ATOM 1707 C GLU A 104 14.106 -12.205 -8.918 1.00 4.12 C ATOM 1708 O GLU A 104 13.551 -12.772 -9.865 1.00 31.05 O ATOM 1709 CB GLU A 104 14.755 -14.135 -7.410 1.00 43.22 C ATOM 1710 CG GLU A 104 16.287 -14.043 -7.419 1.00 1.34 C ATOM 1711 CD GLU A 104 16.859 -13.595 -8.756 1.00 71.45 C ATOM 1712 OE1 GLU A 104 16.801 -14.377 -9.723 1.00 2.31 O ATOM 1713 OE2 GLU A 104 17.355 -12.451 -8.852 1.00 22.33 O ATOM 0 H GLU A 104 12.203 -13.812 -7.520 1.00 62.35 H new ATOM 0 HA GLU A 104 14.505 -12.105 -6.804 1.00 53.43 H new ATOM 0 HB2 GLU A 104 14.441 -14.636 -6.494 1.00 43.22 H new ATOM 0 HB3 GLU A 104 14.439 -14.764 -8.242 1.00 43.22 H new ATOM 0 HG2 GLU A 104 16.606 -13.346 -6.644 1.00 1.34 H new ATOM 0 HG3 GLU A 104 16.703 -15.017 -7.162 1.00 1.34 H new ATOM 1720 N HIS A 105 14.769 -11.066 -9.047 1.00 12.21 N ATOM 1721 CA HIS A 105 14.894 -10.389 -10.334 1.00 24.41 C ATOM 1722 C HIS A 105 16.260 -9.722 -10.446 1.00 20.43 C ATOM 1723 O HIS A 105 16.718 -9.057 -9.514 1.00 21.11 O ATOM 1724 CB HIS A 105 13.770 -9.355 -10.519 1.00 5.14 C ATOM 1725 CG HIS A 105 13.830 -8.204 -9.557 1.00 61.51 C ATOM 1726 ND1 HIS A 105 13.951 -6.893 -9.960 1.00 11.22 N ATOM 1727 CD2 HIS A 105 13.777 -8.175 -8.205 1.00 20.23 C ATOM 1728 CE1 HIS A 105 13.973 -6.108 -8.898 1.00 32.41 C ATOM 1729 NE2 HIS A 105 13.867 -6.859 -7.818 1.00 30.55 N ATOM 0 H HIS A 105 15.232 -10.587 -8.274 1.00 12.21 H new ATOM 0 HA HIS A 105 14.802 -11.132 -11.126 1.00 24.41 H new ATOM 0 HB2 HIS A 105 13.813 -8.966 -11.537 1.00 5.14 H new ATOM 0 HB3 HIS A 105 12.808 -9.856 -10.409 1.00 5.14 H new ATOM 0 HD1 HIS A 105 14.014 -6.577 -10.928 1.00 11.22 H new ATOM 0 HD2 HIS A 105 13.682 -9.029 -7.550 1.00 20.23 H new ATOM 0 HE1 HIS A 105 14.063 -5.032 -8.911 1.00 32.41 H new ATOM 1738 N HIS A 106 16.905 -9.918 -11.590 1.00 23.44 N ATOM 1739 CA HIS A 106 18.236 -9.378 -11.847 1.00 35.14 C ATOM 1740 C HIS A 106 18.387 -9.097 -13.338 1.00 11.42 C ATOM 1741 O HIS A 106 18.000 -9.926 -14.159 1.00 73.43 O ATOM 1742 CB HIS A 106 19.317 -10.374 -11.382 1.00 61.21 C ATOM 1743 CG HIS A 106 19.226 -11.725 -12.039 1.00 4.11 C ATOM 1744 ND1 HIS A 106 18.520 -12.778 -11.497 1.00 70.35 N ATOM 1745 CD2 HIS A 106 19.742 -12.190 -13.207 1.00 62.15 C ATOM 1746 CE1 HIS A 106 18.606 -13.825 -12.296 1.00 62.44 C ATOM 1747 NE2 HIS A 106 19.338 -13.493 -13.339 1.00 20.43 N ATOM 0 H HIS A 106 16.520 -10.456 -12.366 1.00 23.44 H new ATOM 0 HA HIS A 106 18.361 -8.450 -11.289 1.00 35.14 H new ATOM 0 HB2 HIS A 106 20.300 -9.948 -11.584 1.00 61.21 H new ATOM 0 HB3 HIS A 106 19.240 -10.500 -10.302 1.00 61.21 H new ATOM 0 HD1 HIS A 106 18.010 -12.752 -10.614 1.00 70.35 H new ATOM 0 HD2 HIS A 106 20.356 -11.636 -13.902 1.00 62.15 H new ATOM 0 HE1 HIS A 106 18.153 -14.790 -12.124 1.00 62.44 H new ATOM 1756 N HIS A 107 18.935 -7.938 -13.694 1.00 12.15 N ATOM 1757 CA HIS A 107 19.132 -7.609 -15.103 1.00 42.05 C ATOM 1758 C HIS A 107 20.219 -8.504 -15.690 1.00 3.15 C ATOM 1759 O HIS A 107 21.321 -8.598 -15.145 1.00 73.53 O ATOM 1760 CB HIS A 107 19.461 -6.117 -15.309 1.00 74.21 C ATOM 1761 CG HIS A 107 20.694 -5.617 -14.608 1.00 12.22 C ATOM 1762 ND1 HIS A 107 20.651 -4.797 -13.498 1.00 70.24 N ATOM 1763 CD2 HIS A 107 22.010 -5.783 -14.892 1.00 10.41 C ATOM 1764 CE1 HIS A 107 21.880 -4.482 -13.137 1.00 33.21 C ATOM 1765 NE2 HIS A 107 22.723 -5.068 -13.966 1.00 32.22 N ATOM 0 H HIS A 107 19.246 -7.221 -13.038 1.00 12.15 H new ATOM 0 HA HIS A 107 18.196 -7.793 -15.631 1.00 42.05 H new ATOM 0 HB2 HIS A 107 19.573 -5.933 -16.377 1.00 74.21 H new ATOM 0 HB3 HIS A 107 18.609 -5.526 -14.972 1.00 74.21 H new ATOM 0 HD2 HIS A 107 22.420 -6.371 -15.700 1.00 10.41 H new ATOM 0 HE1 HIS A 107 22.151 -3.851 -12.303 1.00 33.21 H new ATOM 0 HE2 HIS A 107 23.740 -5.000 -13.924 1.00 32.22 H new ATOM 1774 N HIS A 108 19.887 -9.179 -16.786 1.00 32.43 N ATOM 1775 CA HIS A 108 20.787 -10.145 -17.412 1.00 24.15 C ATOM 1776 C HIS A 108 22.023 -9.459 -17.988 1.00 42.34 C ATOM 1777 O HIS A 108 23.101 -10.054 -18.044 1.00 14.43 O ATOM 1778 CB HIS A 108 20.044 -10.925 -18.505 1.00 65.21 C ATOM 1779 CG HIS A 108 20.905 -11.908 -19.240 1.00 54.11 C ATOM 1780 ND1 HIS A 108 21.500 -12.991 -18.631 1.00 53.32 N ATOM 1781 CD2 HIS A 108 21.278 -11.962 -20.540 1.00 45.12 C ATOM 1782 CE1 HIS A 108 22.200 -13.665 -19.521 1.00 1.22 C ATOM 1783 NE2 HIS A 108 22.082 -13.064 -20.690 1.00 50.22 N ATOM 0 H HIS A 108 18.992 -9.074 -17.264 1.00 32.43 H new ATOM 0 HA HIS A 108 21.124 -10.843 -16.646 1.00 24.15 H new ATOM 0 HB2 HIS A 108 19.207 -11.457 -18.053 1.00 65.21 H new ATOM 0 HB3 HIS A 108 19.624 -10.218 -19.221 1.00 65.21 H new ATOM 0 HD2 HIS A 108 20.995 -11.266 -21.316 1.00 45.12 H new ATOM 0 HE1 HIS A 108 22.774 -14.559 -19.326 1.00 1.22 H new ATOM 0 HE2 HIS A 108 22.517 -13.368 -21.561 1.00 50.22 H new ATOM 1792 N HIS A 109 21.859 -8.212 -18.419 1.00 1.45 N ATOM 1793 CA HIS A 109 22.972 -7.415 -18.934 1.00 32.12 C ATOM 1794 C HIS A 109 22.536 -5.965 -19.107 1.00 4.31 C ATOM 1795 O HIS A 109 21.347 -5.659 -19.044 1.00 13.21 O ATOM 1796 CB HIS A 109 23.476 -7.973 -20.278 1.00 32.23 C ATOM 1797 CG HIS A 109 22.596 -7.646 -21.454 1.00 0.30 C ATOM 1798 ND1 HIS A 109 23.093 -7.265 -22.680 1.00 0.45 N ATOM 1799 CD2 HIS A 109 21.247 -7.647 -21.585 1.00 43.22 C ATOM 1800 CE1 HIS A 109 22.092 -7.043 -23.510 1.00 44.35 C ATOM 1801 NE2 HIS A 109 20.960 -7.267 -22.871 1.00 22.44 N ATOM 0 H HIS A 109 20.961 -7.728 -18.422 1.00 1.45 H new ATOM 0 HA HIS A 109 23.789 -7.465 -18.214 1.00 32.12 H new ATOM 0 HB2 HIS A 109 24.476 -7.583 -20.468 1.00 32.23 H new ATOM 0 HB3 HIS A 109 23.567 -9.056 -20.197 1.00 32.23 H new ATOM 0 HD2 HIS A 109 20.530 -7.900 -20.818 1.00 43.22 H new ATOM 0 HE1 HIS A 109 22.184 -6.730 -24.540 1.00 44.35 H new ATOM 0 HE2 HIS A 109 20.025 -7.173 -23.268 1.00 22.44 H new ATOM 1810 N HIS A 110 23.498 -5.080 -19.313 1.00 71.11 N ATOM 1811 CA HIS A 110 23.205 -3.689 -19.620 1.00 24.44 C ATOM 1812 C HIS A 110 22.813 -3.556 -21.094 1.00 23.51 C ATOM 1813 O HIS A 110 23.720 -3.595 -21.952 1.00 37.49 O ATOM 1814 CB HIS A 110 24.415 -2.800 -19.304 1.00 53.22 C ATOM 1815 CG HIS A 110 24.221 -1.367 -19.703 1.00 31.10 C ATOM 1816 ND1 HIS A 110 24.628 -0.866 -20.920 1.00 13.34 N ATOM 1817 CD2 HIS A 110 23.658 -0.331 -19.042 1.00 15.42 C ATOM 1818 CE1 HIS A 110 24.325 0.415 -20.989 1.00 1.53 C ATOM 1819 NE2 HIS A 110 23.735 0.765 -19.863 1.00 11.33 N ATOM 1820 OXT HIS A 110 21.607 -3.423 -21.389 1.00 37.49 O ATOM 0 H HIS A 110 24.493 -5.302 -19.273 1.00 71.11 H new ATOM 0 HA HIS A 110 22.371 -3.359 -19.000 1.00 24.44 H new ATOM 0 HB2 HIS A 110 24.622 -2.847 -18.235 1.00 53.22 H new ATOM 0 HB3 HIS A 110 25.292 -3.197 -19.816 1.00 53.22 H new ATOM 0 HD2 HIS A 110 23.228 -0.361 -18.052 1.00 15.42 H new ATOM 0 HE1 HIS A 110 24.526 1.067 -21.826 1.00 1.53 H new ATOM 0 HE2 HIS A 110 23.392 1.699 -19.639 1.00 11.33 H new TER 1829 HIS A 110