USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 26 SER OG : rot -51:sc= -0.399 USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= 0.0522 F(o=-0.97,f=-0.35) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= -0.0854 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 6 SER OG : rot 48:sc= 1.13 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= -0.553 (180deg=-0.982) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 SER OG : rot 180:sc= -0.413 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0.704 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 40 MET CE :methyl 177:sc= -1.08 (180deg=-1.19) USER MOD Single : A 41 MET CE :methyl 152:sc= -0.489 (180deg=-2.02!) USER MOD Single : A 42 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.12) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= 0.793 (180deg=-0.083) USER MOD Single : A 49 SER OG : rot -45:sc= -0.292 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.85! C(o=-6.4!,f=-3.9!) USER MOD Single : A 59 MET CE :methyl -112:sc= -1.94 (180deg=-2.87!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.01! C(o=-5!,f=-13!) USER MOD Single : A 64 THR OG1 : rot 86:sc= 0.697 USER MOD Single : A 65 SER OG : rot 31:sc= 0.173 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.885 USER MOD Single : A 74 CYS SG : rot 68:sc= 0.706 USER MOD Single : A 75 GLN : amide:sc= -0.0077 K(o=-0.0077,f=-1.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0573 F(o=-3.1!,f=-0.057) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.691 12.069 -19.653 1.00 0.00 N ATOM 2 CA GLY A 1 -4.617 12.013 -18.537 1.00 0.00 C ATOM 3 C GLY A 1 -5.640 10.905 -18.687 1.00 0.00 C ATOM 4 O GLY A 1 -6.389 10.870 -19.663 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.012 12.843 -19.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.178 11.167 -19.724 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.218 12.237 -20.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.059 11.865 -17.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.132 12.969 -18.448 1.00 0.00 H new ATOM 8 N SER A 2 -5.672 9.996 -17.718 1.00 0.00 N ATOM 9 CA SER A 2 -6.607 8.877 -17.749 1.00 0.00 C ATOM 10 C SER A 2 -7.723 9.073 -16.727 1.00 0.00 C ATOM 11 O SER A 2 -7.585 9.851 -15.783 1.00 0.00 O ATOM 12 CB SER A 2 -5.873 7.563 -17.474 1.00 0.00 C ATOM 13 OG SER A 2 -5.034 7.211 -18.561 1.00 0.00 O ATOM 0 H SER A 2 -5.061 10.012 -16.901 1.00 0.00 H new ATOM 0 HA SER A 2 -7.052 8.835 -18.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.277 7.659 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.597 6.768 -17.297 1.00 0.00 H new ATOM 0 HG SER A 2 -4.575 6.369 -18.360 1.00 0.00 H new ATOM 19 N SER A 3 -8.828 8.362 -16.924 1.00 0.00 N ATOM 20 CA SER A 3 -9.970 8.459 -16.022 1.00 0.00 C ATOM 21 C SER A 3 -10.255 7.115 -15.359 1.00 0.00 C ATOM 22 O SER A 3 -9.696 6.089 -15.744 1.00 0.00 O ATOM 23 CB SER A 3 -11.208 8.938 -16.783 1.00 0.00 C ATOM 24 OG SER A 3 -11.577 8.012 -17.791 1.00 0.00 O ATOM 0 H SER A 3 -8.957 7.713 -17.700 1.00 0.00 H new ATOM 0 HA SER A 3 -9.727 9.183 -15.244 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.037 9.073 -16.088 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.008 9.910 -17.233 1.00 0.00 H new ATOM 0 HG SER A 3 -12.372 8.340 -18.262 1.00 0.00 H new ATOM 30 N GLY A 4 -11.131 7.130 -14.358 1.00 0.00 N ATOM 31 CA GLY A 4 -11.475 5.907 -13.656 1.00 0.00 C ATOM 32 C GLY A 4 -10.687 5.734 -12.373 1.00 0.00 C ATOM 33 O GLY A 4 -9.457 5.775 -12.382 1.00 0.00 O ATOM 0 H GLY A 4 -11.608 7.966 -14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.541 5.911 -13.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.293 5.053 -14.309 1.00 0.00 H new ATOM 37 N SER A 5 -11.397 5.541 -11.266 1.00 0.00 N ATOM 38 CA SER A 5 -10.757 5.366 -9.968 1.00 0.00 C ATOM 39 C SER A 5 -10.253 3.936 -9.798 1.00 0.00 C ATOM 40 O SER A 5 -9.114 3.711 -9.391 1.00 0.00 O ATOM 41 CB SER A 5 -11.734 5.712 -8.842 1.00 0.00 C ATOM 42 OG SER A 5 -12.871 4.867 -8.877 1.00 0.00 O ATOM 0 H SER A 5 -12.416 5.502 -11.242 1.00 0.00 H new ATOM 0 HA SER A 5 -9.903 6.042 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.233 5.614 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.047 6.752 -8.934 1.00 0.00 H new ATOM 0 HG SER A 5 -13.479 5.107 -8.147 1.00 0.00 H new ATOM 48 N SER A 6 -11.112 2.972 -10.114 1.00 0.00 N ATOM 49 CA SER A 6 -10.758 1.563 -9.994 1.00 0.00 C ATOM 50 C SER A 6 -9.820 1.140 -11.121 1.00 0.00 C ATOM 51 O SER A 6 -10.262 0.819 -12.223 1.00 0.00 O ATOM 52 CB SER A 6 -12.018 0.695 -10.011 1.00 0.00 C ATOM 53 OG SER A 6 -12.684 0.787 -11.258 1.00 0.00 O ATOM 0 H SER A 6 -12.058 3.141 -10.455 1.00 0.00 H new ATOM 0 HA SER A 6 -10.242 1.424 -9.044 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.751 -0.343 -9.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.690 1.009 -9.212 1.00 0.00 H new ATOM 0 HG SER A 6 -12.037 0.668 -11.984 1.00 0.00 H new ATOM 59 N GLY A 7 -8.522 1.143 -10.835 1.00 0.00 N ATOM 60 CA GLY A 7 -7.541 0.759 -11.833 1.00 0.00 C ATOM 61 C GLY A 7 -6.119 1.016 -11.378 1.00 0.00 C ATOM 62 O GLY A 7 -5.871 1.252 -10.195 1.00 0.00 O ATOM 0 H GLY A 7 -8.132 1.405 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.659 -0.299 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.730 1.310 -12.754 1.00 0.00 H new ATOM 66 N ASP A 8 -5.181 0.970 -12.318 1.00 0.00 N ATOM 67 CA ASP A 8 -3.775 1.199 -12.007 1.00 0.00 C ATOM 68 C ASP A 8 -3.588 2.528 -11.282 1.00 0.00 C ATOM 69 O ASP A 8 -3.971 3.583 -11.788 1.00 0.00 O ATOM 70 CB ASP A 8 -2.938 1.180 -13.287 1.00 0.00 C ATOM 71 CG ASP A 8 -3.225 2.368 -14.184 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.347 2.444 -14.726 1.00 0.00 O ATOM 73 OD2 ASP A 8 -2.328 3.222 -14.344 1.00 0.00 O ATOM 0 H ASP A 8 -5.369 0.776 -13.302 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.438 0.397 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.880 1.173 -13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.137 0.259 -13.834 1.00 0.00 H new ATOM 78 N VAL A 9 -2.998 2.470 -10.092 1.00 0.00 N ATOM 79 CA VAL A 9 -2.761 3.669 -9.297 1.00 0.00 C ATOM 80 C VAL A 9 -1.271 3.883 -9.056 1.00 0.00 C ATOM 81 O VAL A 9 -0.510 2.925 -8.918 1.00 0.00 O ATOM 82 CB VAL A 9 -3.484 3.594 -7.939 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.965 4.670 -6.997 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.988 3.720 -8.128 1.00 0.00 C ATOM 0 H VAL A 9 -2.675 1.605 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.158 4.510 -9.866 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.277 2.622 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.488 4.601 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.896 4.528 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.139 5.652 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.482 3.665 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.217 4.676 -8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.344 2.909 -8.763 1.00 0.00 H new ATOM 94 N PHE A 10 -0.860 5.146 -9.006 1.00 0.00 N ATOM 95 CA PHE A 10 0.540 5.486 -8.782 1.00 0.00 C ATOM 96 C PHE A 10 0.677 6.515 -7.663 1.00 0.00 C ATOM 97 O PHE A 10 0.300 7.676 -7.824 1.00 0.00 O ATOM 98 CB PHE A 10 1.167 6.028 -10.068 1.00 0.00 C ATOM 99 CG PHE A 10 1.417 4.970 -11.105 1.00 0.00 C ATOM 100 CD1 PHE A 10 0.384 4.504 -11.902 1.00 0.00 C ATOM 101 CD2 PHE A 10 2.686 4.442 -11.283 1.00 0.00 C ATOM 102 CE1 PHE A 10 0.611 3.531 -12.857 1.00 0.00 C ATOM 103 CE2 PHE A 10 2.919 3.470 -12.236 1.00 0.00 C ATOM 104 CZ PHE A 10 1.880 3.012 -13.024 1.00 0.00 C ATOM 0 H PHE A 10 -1.477 5.951 -9.118 1.00 0.00 H new ATOM 0 HA PHE A 10 1.066 4.579 -8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.512 6.790 -10.489 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.110 6.517 -9.825 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.610 4.906 -11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.502 4.795 -10.670 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.203 3.177 -13.472 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.913 3.068 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.060 2.250 -13.768 1.00 0.00 H new ATOM 114 N ILE A 11 1.219 6.079 -6.531 1.00 0.00 N ATOM 115 CA ILE A 11 1.407 6.961 -5.386 1.00 0.00 C ATOM 116 C ILE A 11 2.785 7.613 -5.414 1.00 0.00 C ATOM 117 O ILE A 11 3.799 6.954 -5.189 1.00 0.00 O ATOM 118 CB ILE A 11 1.238 6.202 -4.057 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.190 5.667 -3.927 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.579 7.107 -2.883 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.242 6.754 -3.902 1.00 0.00 C ATOM 0 H ILE A 11 1.536 5.121 -6.382 1.00 0.00 H new ATOM 0 HA ILE A 11 0.641 7.733 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 11 1.925 5.356 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.394 4.994 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.267 5.077 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.455 6.556 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.612 7.443 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.915 7.971 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.230 6.302 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.063 7.414 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.193 7.330 -4.826 1.00 0.00 H new ATOM 133 N GLU A 12 2.813 8.913 -5.691 1.00 0.00 N ATOM 134 CA GLU A 12 4.067 9.655 -5.748 1.00 0.00 C ATOM 135 C GLU A 12 4.409 10.251 -4.386 1.00 0.00 C ATOM 136 O GLU A 12 3.737 11.166 -3.909 1.00 0.00 O ATOM 137 CB GLU A 12 3.981 10.766 -6.796 1.00 0.00 C ATOM 138 CG GLU A 12 4.106 10.266 -8.226 1.00 0.00 C ATOM 139 CD GLU A 12 4.686 11.309 -9.161 1.00 0.00 C ATOM 140 OE1 GLU A 12 5.899 11.588 -9.060 1.00 0.00 O ATOM 141 OE2 GLU A 12 3.926 11.846 -9.994 1.00 0.00 O ATOM 0 H GLU A 12 1.982 9.474 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 12 4.858 8.960 -6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.030 11.287 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.768 11.496 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.738 9.378 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.123 9.965 -8.589 1.00 0.00 H new ATOM 148 N LYS A 13 5.458 9.725 -3.763 1.00 0.00 N ATOM 149 CA LYS A 13 5.892 10.204 -2.456 1.00 0.00 C ATOM 150 C LYS A 13 7.412 10.317 -2.394 1.00 0.00 C ATOM 151 O LYS A 13 8.100 10.097 -3.391 1.00 0.00 O ATOM 152 CB LYS A 13 5.395 9.264 -1.355 1.00 0.00 C ATOM 153 CG LYS A 13 6.120 7.930 -1.321 1.00 0.00 C ATOM 154 CD LYS A 13 5.988 7.258 0.036 1.00 0.00 C ATOM 155 CE LYS A 13 6.706 5.918 0.066 1.00 0.00 C ATOM 156 NZ LYS A 13 6.088 4.980 1.043 1.00 0.00 N ATOM 0 H LYS A 13 6.024 8.966 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 13 5.465 11.195 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.511 9.756 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.329 9.085 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.716 7.275 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.174 8.082 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.399 7.909 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.933 7.112 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.685 5.472 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.754 6.073 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.262 4.000 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.506 5.133 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.063 5.151 1.088 1.00 0.00 H new ATOM 170 N GLN A 14 7.928 10.660 -1.218 1.00 0.00 N ATOM 171 CA GLN A 14 9.367 10.801 -1.028 1.00 0.00 C ATOM 172 C GLN A 14 9.938 9.597 -0.287 1.00 0.00 C ATOM 173 O GLN A 14 9.268 8.996 0.553 1.00 0.00 O ATOM 174 CB GLN A 14 9.677 12.085 -0.256 1.00 0.00 C ATOM 175 CG GLN A 14 9.721 13.326 -1.132 1.00 0.00 C ATOM 176 CD GLN A 14 10.476 14.471 -0.485 1.00 0.00 C ATOM 177 OE1 GLN A 14 10.477 14.616 0.738 1.00 0.00 O ATOM 178 NE2 GLN A 14 11.124 15.291 -1.304 1.00 0.00 N ATOM 0 H GLN A 14 7.372 10.845 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 14 9.835 10.855 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.923 12.224 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.636 11.973 0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.191 13.078 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.703 13.646 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.096 15.133 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.650 16.079 -0.926 1.00 0.00 H new ATOM 187 N LYS A 15 11.181 9.249 -0.604 1.00 0.00 N ATOM 188 CA LYS A 15 11.845 8.117 0.032 1.00 0.00 C ATOM 189 C LYS A 15 12.082 8.388 1.514 1.00 0.00 C ATOM 190 O LYS A 15 12.145 9.539 1.943 1.00 0.00 O ATOM 191 CB LYS A 15 13.176 7.824 -0.663 1.00 0.00 C ATOM 192 CG LYS A 15 13.047 7.618 -2.163 1.00 0.00 C ATOM 193 CD LYS A 15 14.361 7.887 -2.878 1.00 0.00 C ATOM 194 CE LYS A 15 14.163 8.001 -4.381 1.00 0.00 C ATOM 195 NZ LYS A 15 13.755 9.375 -4.785 1.00 0.00 N ATOM 0 H LYS A 15 11.749 9.735 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 15 11.195 7.247 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.863 8.649 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.620 6.933 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.725 6.596 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.275 8.279 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.802 8.808 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.065 7.083 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.089 7.733 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.404 7.288 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.630 9.411 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.859 9.622 -4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.491 10.053 -4.502 1.00 0.00 H new ATOM 209 N GLY A 16 12.214 7.318 2.293 1.00 0.00 N ATOM 210 CA GLY A 16 12.444 7.462 3.719 1.00 0.00 C ATOM 211 C GLY A 16 11.159 7.671 4.495 1.00 0.00 C ATOM 212 O GLY A 16 11.085 7.352 5.681 1.00 0.00 O ATOM 0 H GLY A 16 12.166 6.354 1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.951 6.573 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.111 8.306 3.893 1.00 0.00 H new ATOM 216 N GLU A 17 10.145 8.210 3.825 1.00 0.00 N ATOM 217 CA GLU A 17 8.858 8.463 4.462 1.00 0.00 C ATOM 218 C GLU A 17 7.918 7.274 4.280 1.00 0.00 C ATOM 219 O GLU A 17 8.124 6.436 3.402 1.00 0.00 O ATOM 220 CB GLU A 17 8.218 9.726 3.884 1.00 0.00 C ATOM 221 CG GLU A 17 9.226 10.788 3.476 1.00 0.00 C ATOM 222 CD GLU A 17 9.937 11.405 4.665 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.291 11.568 5.721 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.137 11.724 4.539 1.00 0.00 O ATOM 0 H GLU A 17 10.190 8.480 2.842 1.00 0.00 H new ATOM 0 HA GLU A 17 9.031 8.607 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.618 9.454 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.537 10.148 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.963 10.346 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.716 11.572 2.916 1.00 0.00 H new ATOM 231 N ILE A 18 6.888 7.209 5.116 1.00 0.00 N ATOM 232 CA ILE A 18 5.916 6.125 5.047 1.00 0.00 C ATOM 233 C ILE A 18 4.786 6.460 4.080 1.00 0.00 C ATOM 234 O ILE A 18 4.625 7.610 3.670 1.00 0.00 O ATOM 235 CB ILE A 18 5.317 5.818 6.433 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.705 7.082 7.040 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.382 5.243 7.354 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.675 6.800 8.111 1.00 0.00 C ATOM 0 H ILE A 18 6.705 7.894 5.849 1.00 0.00 H new ATOM 0 HA ILE A 18 6.449 5.245 4.687 1.00 0.00 H new ATOM 0 HB ILE A 18 4.527 5.076 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.501 7.693 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.241 7.669 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.944 5.031 8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.775 4.321 6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.192 5.964 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.284 7.742 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.859 6.215 7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.139 6.240 8.923 1.00 0.00 H new ATOM 250 N LEU A 19 4.004 5.448 3.720 1.00 0.00 N ATOM 251 CA LEU A 19 2.886 5.635 2.802 1.00 0.00 C ATOM 252 C LEU A 19 1.738 6.372 3.484 1.00 0.00 C ATOM 253 O LEU A 19 0.682 6.584 2.889 1.00 0.00 O ATOM 254 CB LEU A 19 2.398 4.282 2.279 1.00 0.00 C ATOM 255 CG LEU A 19 1.449 4.328 1.081 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.063 5.129 -0.056 1.00 0.00 C ATOM 257 CD2 LEU A 19 1.105 2.919 0.619 1.00 0.00 C ATOM 0 H LEU A 19 4.123 4.490 4.050 1.00 0.00 H new ATOM 0 HA LEU A 19 3.234 6.239 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.268 3.686 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.897 3.759 3.094 1.00 0.00 H new ATOM 0 HG LEU A 19 0.528 4.823 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.373 5.151 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.257 6.148 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.999 4.664 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.429 2.971 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.017 2.399 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.622 2.377 1.432 1.00 0.00 H new ATOM 269 N GLY A 20 1.954 6.763 4.737 1.00 0.00 N ATOM 270 CA GLY A 20 0.929 7.475 5.478 1.00 0.00 C ATOM 271 C GLY A 20 -0.470 7.013 5.124 1.00 0.00 C ATOM 272 O GLY A 20 -1.327 7.821 4.765 1.00 0.00 O ATOM 0 H GLY A 20 2.820 6.599 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.095 7.336 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.017 8.543 5.278 1.00 0.00 H new ATOM 276 N VAL A 21 -0.704 5.708 5.223 1.00 0.00 N ATOM 277 CA VAL A 21 -2.009 5.139 4.909 1.00 0.00 C ATOM 278 C VAL A 21 -2.234 3.833 5.664 1.00 0.00 C ATOM 279 O VAL A 21 -1.327 3.010 5.788 1.00 0.00 O ATOM 280 CB VAL A 21 -2.159 4.879 3.399 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.534 3.544 3.022 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.625 4.923 2.995 1.00 0.00 C ATOM 0 H VAL A 21 -0.006 5.025 5.518 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.756 5.869 5.220 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.632 5.665 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.650 3.378 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.474 3.554 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.030 2.743 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.713 4.737 1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.176 4.159 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.037 5.905 3.228 1.00 0.00 H new ATOM 292 N VAL A 22 -3.451 3.650 6.167 1.00 0.00 N ATOM 293 CA VAL A 22 -3.798 2.443 6.908 1.00 0.00 C ATOM 294 C VAL A 22 -4.700 1.532 6.084 1.00 0.00 C ATOM 295 O VAL A 22 -5.551 2.003 5.329 1.00 0.00 O ATOM 296 CB VAL A 22 -4.503 2.782 8.235 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.774 1.517 9.034 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.671 3.766 9.043 1.00 0.00 C ATOM 0 H VAL A 22 -4.213 4.322 6.075 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.864 1.925 7.124 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.460 3.251 8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.272 1.776 9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.413 0.851 8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.831 1.016 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.184 3.995 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.698 3.326 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.534 4.683 8.470 1.00 0.00 H new ATOM 308 N ILE A 23 -4.509 0.225 6.234 1.00 0.00 N ATOM 309 CA ILE A 23 -5.307 -0.752 5.505 1.00 0.00 C ATOM 310 C ILE A 23 -5.928 -1.772 6.453 1.00 0.00 C ATOM 311 O ILE A 23 -5.407 -2.023 7.540 1.00 0.00 O ATOM 312 CB ILE A 23 -4.464 -1.494 4.451 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.293 -2.217 5.120 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.959 -0.521 3.396 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.856 -3.466 4.387 1.00 0.00 C ATOM 0 H ILE A 23 -3.808 -0.181 6.854 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.099 -0.199 5.001 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.093 -2.237 3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.447 -1.533 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.575 -2.483 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.365 -1.060 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.807 -0.047 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.342 0.242 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.023 -3.926 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.688 -4.169 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.542 -3.204 3.376 1.00 0.00 H new ATOM 327 N VAL A 24 -7.044 -2.360 6.033 1.00 0.00 N ATOM 328 CA VAL A 24 -7.735 -3.356 6.843 1.00 0.00 C ATOM 329 C VAL A 24 -8.282 -4.486 5.977 1.00 0.00 C ATOM 330 O VAL A 24 -8.145 -4.465 4.755 1.00 0.00 O ATOM 331 CB VAL A 24 -8.894 -2.727 7.638 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.358 -1.864 8.771 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.792 -1.914 6.718 1.00 0.00 C ATOM 0 H VAL A 24 -7.489 -2.164 5.136 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.002 -3.759 7.541 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.490 -3.529 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.191 -1.428 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.760 -2.478 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.738 -1.067 8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.606 -1.477 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.210 -1.119 6.252 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.204 -2.563 5.945 1.00 0.00 H new ATOM 343 N GLU A 25 -8.902 -5.470 6.620 1.00 0.00 N ATOM 344 CA GLU A 25 -9.469 -6.609 5.908 1.00 0.00 C ATOM 345 C GLU A 25 -10.552 -6.156 4.933 1.00 0.00 C ATOM 346 O GLU A 25 -11.457 -5.406 5.299 1.00 0.00 O ATOM 347 CB GLU A 25 -10.049 -7.621 6.898 1.00 0.00 C ATOM 348 CG GLU A 25 -8.999 -8.290 7.770 1.00 0.00 C ATOM 349 CD GLU A 25 -9.448 -9.642 8.289 1.00 0.00 C ATOM 350 OE1 GLU A 25 -9.387 -10.623 7.519 1.00 0.00 O ATOM 351 OE2 GLU A 25 -9.861 -9.719 9.465 1.00 0.00 O ATOM 0 H GLU A 25 -9.024 -5.501 7.632 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.669 -7.085 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.773 -7.117 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.592 -8.387 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.080 -8.412 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.765 -7.641 8.613 1.00 0.00 H new ATOM 358 N SER A 26 -10.452 -6.617 3.691 1.00 0.00 N ATOM 359 CA SER A 26 -11.420 -6.256 2.661 1.00 0.00 C ATOM 360 C SER A 26 -12.622 -7.195 2.693 1.00 0.00 C ATOM 361 O SER A 26 -13.261 -7.439 1.671 1.00 0.00 O ATOM 362 CB SER A 26 -10.765 -6.295 1.279 1.00 0.00 C ATOM 363 OG SER A 26 -11.547 -5.599 0.325 1.00 0.00 O ATOM 0 H SER A 26 -9.711 -7.241 3.373 1.00 0.00 H new ATOM 0 HA SER A 26 -11.767 -5.242 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.771 -5.852 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.636 -7.330 0.963 1.00 0.00 H new ATOM 0 HG SER A 26 -12.472 -5.920 0.363 1.00 0.00 H new ATOM 369 N GLY A 27 -12.924 -7.720 3.877 1.00 0.00 N ATOM 370 CA GLY A 27 -14.048 -8.627 4.022 1.00 0.00 C ATOM 371 C GLY A 27 -15.379 -7.943 3.780 1.00 0.00 C ATOM 372 O GLY A 27 -15.705 -7.590 2.647 1.00 0.00 O ATOM 0 H GLY A 27 -12.410 -7.533 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.936 -9.455 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.039 -9.054 5.025 1.00 0.00 H new ATOM 376 N TRP A 28 -16.150 -7.758 4.845 1.00 0.00 N ATOM 377 CA TRP A 28 -17.454 -7.114 4.742 1.00 0.00 C ATOM 378 C TRP A 28 -18.207 -7.603 3.510 1.00 0.00 C ATOM 379 O TRP A 28 -18.693 -6.804 2.710 1.00 0.00 O ATOM 380 CB TRP A 28 -17.292 -5.594 4.686 1.00 0.00 C ATOM 381 CG TRP A 28 -16.173 -5.084 5.543 1.00 0.00 C ATOM 382 CD1 TRP A 28 -14.838 -5.311 5.368 1.00 0.00 C ATOM 383 CD2 TRP A 28 -16.293 -4.263 6.709 1.00 0.00 C ATOM 384 NE1 TRP A 28 -14.120 -4.680 6.355 1.00 0.00 N ATOM 385 CE2 TRP A 28 -14.989 -4.030 7.190 1.00 0.00 C ATOM 386 CE3 TRP A 28 -17.373 -3.700 7.393 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -14.741 -3.260 8.323 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -17.125 -2.936 8.518 1.00 0.00 C ATOM 389 CH2 TRP A 28 -15.818 -2.721 8.973 1.00 0.00 C ATOM 0 H TRP A 28 -15.895 -8.045 5.790 1.00 0.00 H new ATOM 0 HA TRP A 28 -18.033 -7.378 5.627 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -17.116 -5.292 3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -18.224 -5.125 5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -14.409 -5.900 4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -13.105 -4.694 6.450 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -18.384 -3.859 7.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -13.734 -3.094 8.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -17.953 -2.498 9.055 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.657 -2.118 9.854 1.00 0.00 H new ATOM 400 N GLY A 29 -18.300 -8.921 3.363 1.00 0.00 N ATOM 401 CA GLY A 29 -18.996 -9.493 2.225 1.00 0.00 C ATOM 402 C GLY A 29 -18.460 -8.984 0.902 1.00 0.00 C ATOM 403 O GLY A 29 -19.183 -8.348 0.135 1.00 0.00 O ATOM 0 H GLY A 29 -17.906 -9.603 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.906 -10.579 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.058 -9.259 2.297 1.00 0.00 H new ATOM 407 N SER A 30 -17.188 -9.262 0.633 1.00 0.00 N ATOM 408 CA SER A 30 -16.554 -8.822 -0.604 1.00 0.00 C ATOM 409 C SER A 30 -16.129 -10.018 -1.451 1.00 0.00 C ATOM 410 O SER A 30 -16.115 -11.154 -0.978 1.00 0.00 O ATOM 411 CB SER A 30 -15.340 -7.944 -0.296 1.00 0.00 C ATOM 412 OG SER A 30 -14.923 -7.229 -1.446 1.00 0.00 O ATOM 0 H SER A 30 -16.576 -9.790 1.255 1.00 0.00 H new ATOM 0 HA SER A 30 -17.281 -8.238 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.587 -7.244 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.521 -8.565 0.067 1.00 0.00 H new ATOM 0 HG SER A 30 -14.147 -6.674 -1.223 1.00 0.00 H new ATOM 418 N ILE A 31 -15.783 -9.752 -2.706 1.00 0.00 N ATOM 419 CA ILE A 31 -15.357 -10.805 -3.620 1.00 0.00 C ATOM 420 C ILE A 31 -13.924 -11.239 -3.327 1.00 0.00 C ATOM 421 O ILE A 31 -13.679 -12.379 -2.929 1.00 0.00 O ATOM 422 CB ILE A 31 -15.454 -10.350 -5.088 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.721 -9.520 -5.305 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.437 -11.554 -6.018 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.519 -8.038 -5.079 1.00 0.00 C ATOM 0 H ILE A 31 -15.789 -8.817 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.029 -11.649 -3.465 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.590 -9.726 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.080 -9.679 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.500 -9.879 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.506 -11.216 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.509 -12.108 -5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.284 -12.202 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.458 -7.512 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -16.190 -7.868 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.763 -7.664 -5.770 1.00 0.00 H new ATOM 437 N LEU A 32 -12.982 -10.324 -3.526 1.00 0.00 N ATOM 438 CA LEU A 32 -11.573 -10.612 -3.282 1.00 0.00 C ATOM 439 C LEU A 32 -11.095 -9.941 -1.998 1.00 0.00 C ATOM 440 O LEU A 32 -10.720 -8.768 -1.984 1.00 0.00 O ATOM 441 CB LEU A 32 -10.724 -10.140 -4.464 1.00 0.00 C ATOM 442 CG LEU A 32 -10.780 -11.010 -5.720 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.103 -12.349 -5.473 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.222 -11.213 -6.164 1.00 0.00 C ATOM 0 H LEU A 32 -13.168 -9.377 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.462 -11.690 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.038 -9.131 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.686 -10.075 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.243 -10.497 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.153 -12.954 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.060 -12.185 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.610 -12.869 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.243 -11.834 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.782 -11.704 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.675 -10.246 -6.383 1.00 0.00 H new ATOM 456 N PRO A 33 -11.105 -10.701 -0.894 1.00 0.00 N ATOM 457 CA PRO A 33 -10.673 -10.202 0.415 1.00 0.00 C ATOM 458 C PRO A 33 -9.169 -9.962 0.476 1.00 0.00 C ATOM 459 O PRO A 33 -8.406 -10.835 0.893 1.00 0.00 O ATOM 460 CB PRO A 33 -11.075 -11.326 1.374 1.00 0.00 C ATOM 461 CG PRO A 33 -11.099 -12.553 0.530 1.00 0.00 C ATOM 462 CD PRO A 33 -11.539 -12.107 -0.837 1.00 0.00 C ATOM 0 HA PRO A 33 -11.124 -9.239 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.362 -11.422 2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.050 -11.134 1.822 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.114 -13.019 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.786 -13.294 0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.075 -12.703 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.618 -12.200 -0.962 1.00 0.00 H new ATOM 470 N THR A 34 -8.746 -8.773 0.059 1.00 0.00 N ATOM 471 CA THR A 34 -7.333 -8.418 0.066 1.00 0.00 C ATOM 472 C THR A 34 -7.027 -7.397 1.156 1.00 0.00 C ATOM 473 O THR A 34 -6.474 -7.738 2.202 1.00 0.00 O ATOM 474 CB THR A 34 -6.890 -7.847 -1.295 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.658 -6.680 -1.610 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.058 -8.883 -2.397 1.00 0.00 C ATOM 0 H THR A 34 -9.363 -8.039 -0.288 1.00 0.00 H new ATOM 0 HA THR A 34 -6.779 -9.335 0.265 1.00 0.00 H new ATOM 0 HB THR A 34 -5.835 -7.580 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.116 -6.067 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.739 -8.457 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.450 -9.758 -2.169 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.106 -9.176 -2.464 1.00 0.00 H new ATOM 484 N VAL A 35 -7.390 -6.144 0.905 1.00 0.00 N ATOM 485 CA VAL A 35 -7.156 -5.073 1.866 1.00 0.00 C ATOM 486 C VAL A 35 -7.745 -3.755 1.376 1.00 0.00 C ATOM 487 O VAL A 35 -7.645 -3.420 0.195 1.00 0.00 O ATOM 488 CB VAL A 35 -5.652 -4.881 2.137 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.202 -5.756 3.297 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.843 -5.183 0.885 1.00 0.00 C ATOM 0 H VAL A 35 -7.848 -5.845 0.044 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.650 -5.366 2.792 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.480 -3.840 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.137 -5.607 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.760 -5.486 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.387 -6.803 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.783 -5.042 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.019 -6.214 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.147 -4.509 0.084 1.00 0.00 H new ATOM 500 N ILE A 36 -8.360 -3.012 2.290 1.00 0.00 N ATOM 501 CA ILE A 36 -8.964 -1.730 1.950 1.00 0.00 C ATOM 502 C ILE A 36 -8.474 -0.627 2.883 1.00 0.00 C ATOM 503 O ILE A 36 -8.215 -0.867 4.062 1.00 0.00 O ATOM 504 CB ILE A 36 -10.501 -1.797 2.016 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.948 -2.522 3.287 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.054 -2.491 0.781 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.430 -2.401 3.562 1.00 0.00 C ATOM 0 H ILE A 36 -8.453 -3.276 3.271 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.662 -1.500 0.928 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.893 -0.780 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.687 -3.577 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.395 -2.122 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.142 -2.531 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.761 -1.936 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.657 -3.504 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.675 -2.939 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.694 -1.350 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.990 -2.827 2.730 1.00 0.00 H new ATOM 519 N ILE A 37 -8.351 0.582 2.346 1.00 0.00 N ATOM 520 CA ILE A 37 -7.895 1.723 3.131 1.00 0.00 C ATOM 521 C ILE A 37 -8.837 1.999 4.298 1.00 0.00 C ATOM 522 O ILE A 37 -10.014 2.299 4.102 1.00 0.00 O ATOM 523 CB ILE A 37 -7.782 2.992 2.267 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.058 2.680 0.955 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.055 4.090 3.030 1.00 0.00 C ATOM 526 CD1 ILE A 37 -7.989 2.280 -0.168 1.00 0.00 C ATOM 0 H ILE A 37 -8.561 0.797 1.371 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.908 1.466 3.516 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.787 3.343 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.486 3.556 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.342 1.876 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.983 4.981 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.607 4.328 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.053 3.749 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.408 2.074 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.543 1.386 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.689 3.092 -0.367 1.00 0.00 H new ATOM 538 N ALA A 38 -8.310 1.897 5.514 1.00 0.00 N ATOM 539 CA ALA A 38 -9.102 2.139 6.713 1.00 0.00 C ATOM 540 C ALA A 38 -9.012 3.599 7.145 1.00 0.00 C ATOM 541 O ALA A 38 -9.950 4.142 7.727 1.00 0.00 O ATOM 542 CB ALA A 38 -8.646 1.224 7.841 1.00 0.00 C ATOM 0 H ALA A 38 -7.337 1.648 5.694 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.144 1.919 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.246 1.416 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.768 0.184 7.538 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.596 1.416 8.063 1.00 0.00 H new ATOM 548 N ASN A 39 -7.877 4.228 6.856 1.00 0.00 N ATOM 549 CA ASN A 39 -7.665 5.625 7.216 1.00 0.00 C ATOM 550 C ASN A 39 -6.499 6.218 6.431 1.00 0.00 C ATOM 551 O ASN A 39 -5.601 5.498 5.996 1.00 0.00 O ATOM 552 CB ASN A 39 -7.400 5.752 8.718 1.00 0.00 C ATOM 553 CG ASN A 39 -7.826 7.099 9.268 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.072 8.071 9.215 1.00 0.00 O ATOM 555 ND2 ASN A 39 -9.041 7.163 9.801 1.00 0.00 N ATOM 0 H ASN A 39 -7.091 3.792 6.374 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.569 6.180 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.933 4.962 9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.337 5.603 8.911 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.383 8.043 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.632 6.332 9.824 1.00 0.00 H new ATOM 562 N MET A 40 -6.521 7.535 6.254 1.00 0.00 N ATOM 563 CA MET A 40 -5.465 8.225 5.523 1.00 0.00 C ATOM 564 C MET A 40 -4.796 9.279 6.400 1.00 0.00 C ATOM 565 O MET A 40 -5.465 10.135 6.977 1.00 0.00 O ATOM 566 CB MET A 40 -6.032 8.879 4.262 1.00 0.00 C ATOM 567 CG MET A 40 -6.218 7.910 3.106 1.00 0.00 C ATOM 568 SD MET A 40 -6.638 8.742 1.562 1.00 0.00 S ATOM 569 CE MET A 40 -8.268 8.069 1.248 1.00 0.00 C ATOM 0 H MET A 40 -7.258 8.145 6.607 1.00 0.00 H new ATOM 0 HA MET A 40 -4.715 7.488 5.235 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.992 9.336 4.500 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.366 9.682 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.302 7.336 2.967 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.005 7.199 3.356 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.685 8.529 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.195 6.991 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.917 8.277 2.098 1.00 0.00 H new ATOM 579 N MET A 41 -3.472 9.210 6.495 1.00 0.00 N ATOM 580 CA MET A 41 -2.714 10.159 7.301 1.00 0.00 C ATOM 581 C MET A 41 -3.006 11.593 6.870 1.00 0.00 C ATOM 582 O MET A 41 -3.012 11.905 5.679 1.00 0.00 O ATOM 583 CB MET A 41 -1.215 9.875 7.186 1.00 0.00 C ATOM 584 CG MET A 41 -0.377 10.606 8.222 1.00 0.00 C ATOM 585 SD MET A 41 -0.343 9.758 9.813 1.00 0.00 S ATOM 586 CE MET A 41 0.418 8.203 9.351 1.00 0.00 C ATOM 0 H MET A 41 -2.903 8.507 6.024 1.00 0.00 H new ATOM 0 HA MET A 41 -3.020 10.041 8.340 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.048 8.803 7.287 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.875 10.159 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.642 10.713 7.850 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.773 11.612 8.359 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.952 7.790 10.207 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.353 7.502 9.031 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.119 8.370 8.533 1.00 0.00 H new ATOM 596 N HIS A 42 -3.248 12.462 7.846 1.00 0.00 N ATOM 597 CA HIS A 42 -3.541 13.864 7.567 1.00 0.00 C ATOM 598 C HIS A 42 -2.286 14.599 7.105 1.00 0.00 C ATOM 599 O HIS A 42 -1.623 15.271 7.894 1.00 0.00 O ATOM 600 CB HIS A 42 -4.116 14.544 8.810 1.00 0.00 C ATOM 601 CG HIS A 42 -5.529 14.147 9.110 1.00 0.00 C ATOM 602 ND1 HIS A 42 -6.537 14.186 8.170 1.00 0.00 N ATOM 603 CD2 HIS A 42 -6.099 13.700 10.253 1.00 0.00 C ATOM 604 CE1 HIS A 42 -7.667 13.781 8.723 1.00 0.00 C ATOM 605 NE2 HIS A 42 -7.428 13.480 9.987 1.00 0.00 N ATOM 0 H HIS A 42 -3.247 12.221 8.837 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.280 13.903 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.489 14.303 9.669 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.071 15.625 8.676 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.601 13.545 11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -8.623 13.708 8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.118 13.140 10.656 1.00 0.00 H new ATOM 614 N GLY A 43 -1.967 14.466 5.821 1.00 0.00 N ATOM 615 CA GLY A 43 -0.793 15.122 5.277 1.00 0.00 C ATOM 616 C GLY A 43 0.219 14.137 4.725 1.00 0.00 C ATOM 617 O GLY A 43 1.380 14.483 4.514 1.00 0.00 O ATOM 0 H GLY A 43 -2.501 13.916 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.097 15.807 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.323 15.723 6.056 1.00 0.00 H new ATOM 621 N GLY A 44 -0.223 12.905 4.493 1.00 0.00 N ATOM 622 CA GLY A 44 0.665 11.885 3.966 1.00 0.00 C ATOM 623 C GLY A 44 0.613 11.796 2.453 1.00 0.00 C ATOM 624 O GLY A 44 -0.081 12.566 1.788 1.00 0.00 O ATOM 0 H GLY A 44 -1.180 12.595 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.687 12.100 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.397 10.919 4.393 1.00 0.00 H new ATOM 628 N PRO A 45 1.362 10.838 1.887 1.00 0.00 N ATOM 629 CA PRO A 45 1.416 10.629 0.437 1.00 0.00 C ATOM 630 C PRO A 45 0.109 10.072 -0.117 1.00 0.00 C ATOM 631 O PRO A 45 -0.307 10.423 -1.221 1.00 0.00 O ATOM 632 CB PRO A 45 2.546 9.611 0.268 1.00 0.00 C ATOM 633 CG PRO A 45 2.597 8.882 1.566 1.00 0.00 C ATOM 634 CD PRO A 45 2.213 9.885 2.619 1.00 0.00 C ATOM 0 HA PRO A 45 1.579 11.561 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.346 8.931 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.494 10.104 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.911 8.035 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.595 8.484 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.675 9.417 3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.088 10.374 3.047 1.00 0.00 H new ATOM 642 N ALA A 46 -0.534 9.204 0.656 1.00 0.00 N ATOM 643 CA ALA A 46 -1.795 8.601 0.242 1.00 0.00 C ATOM 644 C ALA A 46 -2.936 9.610 0.315 1.00 0.00 C ATOM 645 O ALA A 46 -3.809 9.636 -0.552 1.00 0.00 O ATOM 646 CB ALA A 46 -2.107 7.386 1.104 1.00 0.00 C ATOM 0 H ALA A 46 -0.203 8.902 1.572 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.693 8.281 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.051 6.946 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.309 6.651 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.184 7.691 2.148 1.00 0.00 H new ATOM 652 N GLU A 47 -2.922 10.438 1.354 1.00 0.00 N ATOM 653 CA GLU A 47 -3.958 11.448 1.539 1.00 0.00 C ATOM 654 C GLU A 47 -3.823 12.561 0.504 1.00 0.00 C ATOM 655 O GLU A 47 -4.800 13.227 0.160 1.00 0.00 O ATOM 656 CB GLU A 47 -3.882 12.037 2.949 1.00 0.00 C ATOM 657 CG GLU A 47 -4.382 13.469 3.039 1.00 0.00 C ATOM 658 CD GLU A 47 -4.953 13.803 4.403 1.00 0.00 C ATOM 659 OE1 GLU A 47 -5.335 12.864 5.133 1.00 0.00 O ATOM 660 OE2 GLU A 47 -5.018 15.003 4.741 1.00 0.00 O ATOM 0 H GLU A 47 -2.206 10.430 2.080 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.927 10.966 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.467 11.414 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.849 12.000 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.562 14.151 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.147 13.631 2.279 1.00 0.00 H new ATOM 667 N LYS A 48 -2.605 12.758 0.010 1.00 0.00 N ATOM 668 CA LYS A 48 -2.340 13.789 -0.986 1.00 0.00 C ATOM 669 C LYS A 48 -2.526 13.242 -2.398 1.00 0.00 C ATOM 670 O LYS A 48 -3.021 13.939 -3.284 1.00 0.00 O ATOM 671 CB LYS A 48 -0.920 14.334 -0.821 1.00 0.00 C ATOM 672 CG LYS A 48 -0.815 15.465 0.187 1.00 0.00 C ATOM 673 CD LYS A 48 0.633 15.837 0.459 1.00 0.00 C ATOM 674 CE LYS A 48 1.233 14.973 1.558 1.00 0.00 C ATOM 675 NZ LYS A 48 2.404 15.630 2.202 1.00 0.00 N ATOM 0 H LYS A 48 -1.785 12.216 0.284 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.053 14.599 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.262 13.522 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.560 14.686 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.352 16.337 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.297 15.169 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.217 15.723 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.692 16.887 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.474 14.764 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.539 14.014 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.395 15.432 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.282 15.260 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.354 16.657 2.048 1.00 0.00 H new ATOM 689 N SER A 49 -2.126 11.990 -2.600 1.00 0.00 N ATOM 690 CA SER A 49 -2.247 11.351 -3.905 1.00 0.00 C ATOM 691 C SER A 49 -3.690 11.389 -4.398 1.00 0.00 C ATOM 692 O SER A 49 -3.950 11.636 -5.574 1.00 0.00 O ATOM 693 CB SER A 49 -1.758 9.903 -3.833 1.00 0.00 C ATOM 694 OG SER A 49 -2.671 9.092 -3.113 1.00 0.00 O ATOM 0 H SER A 49 -1.716 11.399 -1.877 1.00 0.00 H new ATOM 0 HA SER A 49 -1.627 11.903 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.632 9.508 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.780 9.869 -3.353 1.00 0.00 H new ATOM 0 HG SER A 49 -2.954 9.560 -2.300 1.00 0.00 H new ATOM 700 N GLY A 50 -4.627 11.142 -3.487 1.00 0.00 N ATOM 701 CA GLY A 50 -6.032 11.153 -3.847 1.00 0.00 C ATOM 702 C GLY A 50 -6.379 10.081 -4.861 1.00 0.00 C ATOM 703 O GLY A 50 -7.481 10.069 -5.411 1.00 0.00 O ATOM 0 H GLY A 50 -4.437 10.935 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.635 11.009 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.292 12.131 -4.253 1.00 0.00 H new ATOM 707 N LYS A 51 -5.437 9.177 -5.110 1.00 0.00 N ATOM 708 CA LYS A 51 -5.647 8.096 -6.065 1.00 0.00 C ATOM 709 C LYS A 51 -6.601 7.048 -5.500 1.00 0.00 C ATOM 710 O LYS A 51 -7.237 6.305 -6.248 1.00 0.00 O ATOM 711 CB LYS A 51 -4.312 7.443 -6.429 1.00 0.00 C ATOM 712 CG LYS A 51 -3.231 8.439 -6.809 1.00 0.00 C ATOM 713 CD LYS A 51 -3.237 8.728 -8.300 1.00 0.00 C ATOM 714 CE LYS A 51 -4.146 9.901 -8.637 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.196 10.160 -10.102 1.00 0.00 N ATOM 0 H LYS A 51 -4.520 9.172 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.094 8.521 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.966 6.849 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.468 6.755 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.380 9.367 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.256 8.048 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.222 8.945 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.568 7.842 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.152 9.698 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.792 10.794 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.825 10.966 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.240 10.378 -10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.558 9.317 -10.592 1.00 0.00 H new ATOM 729 N LEU A 52 -6.696 6.995 -4.176 1.00 0.00 N ATOM 730 CA LEU A 52 -7.574 6.039 -3.510 1.00 0.00 C ATOM 731 C LEU A 52 -8.620 6.758 -2.665 1.00 0.00 C ATOM 732 O LEU A 52 -8.666 7.987 -2.628 1.00 0.00 O ATOM 733 CB LEU A 52 -6.755 5.092 -2.631 1.00 0.00 C ATOM 734 CG LEU A 52 -5.515 5.693 -1.969 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.445 5.988 -3.009 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.879 6.957 -1.204 1.00 0.00 C ATOM 0 H LEU A 52 -6.176 7.602 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.089 5.460 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.406 4.701 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.442 4.244 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.116 4.966 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.570 6.415 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.163 5.064 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.834 6.697 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.984 7.371 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.303 7.689 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.611 6.717 -0.433 1.00 0.00 H new ATOM 748 N ASN A 53 -9.459 5.982 -1.985 1.00 0.00 N ATOM 749 CA ASN A 53 -10.504 6.545 -1.138 1.00 0.00 C ATOM 750 C ASN A 53 -10.896 5.567 -0.034 1.00 0.00 C ATOM 751 O ASN A 53 -10.909 4.354 -0.243 1.00 0.00 O ATOM 752 CB ASN A 53 -11.733 6.902 -1.977 1.00 0.00 C ATOM 753 CG ASN A 53 -11.370 7.282 -3.400 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.749 6.355 -4.120 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.646 8.396 -3.847 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.435 4.962 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.112 7.451 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.417 6.054 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.263 7.730 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.124 9.078 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.397 8.637 -4.806 1.00 0.00 H new ATOM 762 N ILE A 54 -11.213 6.104 1.139 1.00 0.00 N ATOM 763 CA ILE A 54 -11.606 5.279 2.275 1.00 0.00 C ATOM 764 C ILE A 54 -12.637 4.233 1.863 1.00 0.00 C ATOM 765 O ILE A 54 -13.800 4.553 1.623 1.00 0.00 O ATOM 766 CB ILE A 54 -12.187 6.133 3.417 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.159 7.166 3.884 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.618 5.246 4.575 1.00 0.00 C ATOM 769 CD1 ILE A 54 -9.948 6.554 4.553 1.00 0.00 C ATOM 0 H ILE A 54 -11.205 7.106 1.328 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.704 4.779 2.629 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.064 6.663 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.832 7.754 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.638 7.855 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.027 5.864 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.380 4.545 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.757 4.692 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.262 7.345 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.264 5.989 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.444 5.887 3.854 1.00 0.00 H new ATOM 781 N GLY A 55 -12.201 2.979 1.786 1.00 0.00 N ATOM 782 CA GLY A 55 -13.098 1.904 1.406 1.00 0.00 C ATOM 783 C GLY A 55 -12.582 1.110 0.222 1.00 0.00 C ATOM 784 O GLY A 55 -12.897 -0.071 0.073 1.00 0.00 O ATOM 0 H GLY A 55 -11.243 2.689 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.238 1.235 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.076 2.320 1.163 1.00 0.00 H new ATOM 788 N ASP A 56 -11.789 1.759 -0.623 1.00 0.00 N ATOM 789 CA ASP A 56 -11.229 1.106 -1.800 1.00 0.00 C ATOM 790 C ASP A 56 -10.281 -0.020 -1.398 1.00 0.00 C ATOM 791 O ASP A 56 -9.570 0.083 -0.399 1.00 0.00 O ATOM 792 CB ASP A 56 -10.491 2.124 -2.672 1.00 0.00 C ATOM 793 CG ASP A 56 -11.391 2.748 -3.720 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.605 2.875 -3.460 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.880 3.109 -4.802 1.00 0.00 O ATOM 0 H ASP A 56 -11.519 2.737 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.051 0.677 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.077 2.909 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.650 1.635 -3.164 1.00 0.00 H new ATOM 800 N GLN A 57 -10.278 -1.093 -2.183 1.00 0.00 N ATOM 801 CA GLN A 57 -9.418 -2.238 -1.907 1.00 0.00 C ATOM 802 C GLN A 57 -8.262 -2.302 -2.899 1.00 0.00 C ATOM 803 O GLN A 57 -8.393 -1.880 -4.048 1.00 0.00 O ATOM 804 CB GLN A 57 -10.228 -3.535 -1.964 1.00 0.00 C ATOM 805 CG GLN A 57 -10.236 -4.187 -3.337 1.00 0.00 C ATOM 806 CD GLN A 57 -11.412 -5.124 -3.531 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.311 -6.324 -2.973 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.400 -4.772 -4.176 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.861 -1.193 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.006 -2.119 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.821 -4.240 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.255 -3.326 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.264 -3.412 -4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.308 -4.741 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.435 -3.839 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.184 -5.413 -4.299 1.00 0.00 H new ATOM 817 N ILE A 58 -7.130 -2.832 -2.447 1.00 0.00 N ATOM 818 CA ILE A 58 -5.951 -2.952 -3.296 1.00 0.00 C ATOM 819 C ILE A 58 -5.837 -4.355 -3.883 1.00 0.00 C ATOM 820 O ILE A 58 -5.568 -5.319 -3.166 1.00 0.00 O ATOM 821 CB ILE A 58 -4.662 -2.627 -2.518 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.844 -1.347 -1.700 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.488 -2.488 -3.474 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.674 -1.037 -0.793 1.00 0.00 C ATOM 0 H ILE A 58 -7.005 -3.185 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.069 -2.231 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.452 -3.448 -1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.997 -0.509 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.747 -1.437 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.584 -2.258 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.349 -3.423 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.688 -1.683 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.873 -0.116 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.533 -1.856 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.772 -0.915 -1.392 1.00 0.00 H new ATOM 836 N MET A 59 -6.041 -4.462 -5.192 1.00 0.00 N ATOM 837 CA MET A 59 -5.957 -5.747 -5.876 1.00 0.00 C ATOM 838 C MET A 59 -4.550 -6.327 -5.773 1.00 0.00 C ATOM 839 O MET A 59 -4.377 -7.523 -5.543 1.00 0.00 O ATOM 840 CB MET A 59 -6.352 -5.593 -7.346 1.00 0.00 C ATOM 841 CG MET A 59 -7.848 -5.703 -7.588 1.00 0.00 C ATOM 842 SD MET A 59 -8.369 -7.389 -7.959 1.00 0.00 S ATOM 843 CE MET A 59 -8.565 -8.055 -6.308 1.00 0.00 C ATOM 0 H MET A 59 -6.266 -3.674 -5.800 1.00 0.00 H new ATOM 0 HA MET A 59 -6.650 -6.435 -5.391 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.004 -4.625 -7.708 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.840 -6.356 -7.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.382 -5.347 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.127 -5.050 -8.415 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.799 -8.809 -6.127 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.464 -7.252 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.551 -8.509 -6.214 1.00 0.00 H new ATOM 853 N SER A 60 -3.548 -5.471 -5.945 1.00 0.00 N ATOM 854 CA SER A 60 -2.156 -5.899 -5.876 1.00 0.00 C ATOM 855 C SER A 60 -1.231 -4.708 -5.645 1.00 0.00 C ATOM 856 O SER A 60 -1.641 -3.555 -5.781 1.00 0.00 O ATOM 857 CB SER A 60 -1.759 -6.625 -7.163 1.00 0.00 C ATOM 858 OG SER A 60 -2.104 -5.861 -8.306 1.00 0.00 O ATOM 0 H SER A 60 -3.674 -4.477 -6.133 1.00 0.00 H new ATOM 0 HA SER A 60 -2.054 -6.584 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.686 -6.817 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.256 -7.594 -7.206 1.00 0.00 H new ATOM 0 HG SER A 60 -1.839 -6.345 -9.116 1.00 0.00 H new ATOM 864 N ILE A 61 0.018 -4.996 -5.293 1.00 0.00 N ATOM 865 CA ILE A 61 1.001 -3.949 -5.044 1.00 0.00 C ATOM 866 C ILE A 61 2.232 -4.130 -5.925 1.00 0.00 C ATOM 867 O ILE A 61 3.069 -4.995 -5.669 1.00 0.00 O ATOM 868 CB ILE A 61 1.439 -3.929 -3.567 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.303 -3.410 -2.683 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.685 -3.072 -3.396 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.401 -3.866 -1.244 1.00 0.00 C ATOM 0 H ILE A 61 0.373 -5.945 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 61 0.521 -3.001 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 61 1.677 -4.947 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.300 -2.320 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.649 -3.742 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.982 -3.067 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.494 -3.481 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.472 -2.052 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.436 -3.461 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.373 -4.955 -1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.337 -3.511 -0.813 1.00 0.00 H new ATOM 883 N ASN A 62 2.336 -3.307 -6.963 1.00 0.00 N ATOM 884 CA ASN A 62 3.466 -3.375 -7.882 1.00 0.00 C ATOM 885 C ASN A 62 3.514 -4.727 -8.587 1.00 0.00 C ATOM 886 O ASN A 62 4.579 -5.193 -8.989 1.00 0.00 O ATOM 887 CB ASN A 62 4.777 -3.132 -7.131 1.00 0.00 C ATOM 888 CG ASN A 62 5.109 -1.658 -7.010 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.619 -0.834 -7.782 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.947 -1.319 -6.036 1.00 0.00 N ATOM 0 H ASN A 62 1.652 -2.585 -7.189 1.00 0.00 H new ATOM 0 HA ASN A 62 3.337 -2.597 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.708 -3.569 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.589 -3.643 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.208 -0.342 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.329 -2.036 -5.419 1.00 0.00 H new ATOM 897 N GLY A 63 2.350 -5.353 -8.734 1.00 0.00 N ATOM 898 CA GLY A 63 2.280 -6.645 -9.391 1.00 0.00 C ATOM 899 C GLY A 63 2.210 -7.794 -8.404 1.00 0.00 C ATOM 900 O GLY A 63 2.316 -8.960 -8.787 1.00 0.00 O ATOM 0 H GLY A 63 1.454 -4.988 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.404 -6.673 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.154 -6.772 -10.030 1.00 0.00 H new ATOM 904 N THR A 64 2.032 -7.466 -7.128 1.00 0.00 N ATOM 905 CA THR A 64 1.951 -8.479 -6.083 1.00 0.00 C ATOM 906 C THR A 64 0.506 -8.714 -5.656 1.00 0.00 C ATOM 907 O THR A 64 -0.125 -7.842 -5.060 1.00 0.00 O ATOM 908 CB THR A 64 2.780 -8.079 -4.848 1.00 0.00 C ATOM 909 OG1 THR A 64 4.076 -7.625 -5.254 1.00 0.00 O ATOM 910 CG2 THR A 64 2.925 -9.252 -3.890 1.00 0.00 C ATOM 0 H THR A 64 1.941 -6.507 -6.793 1.00 0.00 H new ATOM 0 HA THR A 64 2.358 -9.399 -6.502 1.00 0.00 H new ATOM 0 HB THR A 64 2.258 -7.273 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.033 -6.672 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.514 -8.945 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.938 -9.576 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.427 -10.076 -4.397 1.00 0.00 H new ATOM 918 N SER A 65 -0.012 -9.899 -5.966 1.00 0.00 N ATOM 919 CA SER A 65 -1.384 -10.248 -5.617 1.00 0.00 C ATOM 920 C SER A 65 -1.529 -10.443 -4.111 1.00 0.00 C ATOM 921 O SER A 65 -0.797 -11.223 -3.501 1.00 0.00 O ATOM 922 CB SER A 65 -1.811 -11.521 -6.351 1.00 0.00 C ATOM 923 OG SER A 65 -0.920 -12.589 -6.079 1.00 0.00 O ATOM 0 H SER A 65 0.498 -10.633 -6.458 1.00 0.00 H new ATOM 0 HA SER A 65 -2.031 -9.426 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.820 -11.799 -6.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.842 -11.333 -7.424 1.00 0.00 H new ATOM 0 HG SER A 65 -0.545 -12.481 -5.180 1.00 0.00 H new ATOM 929 N LEU A 66 -2.477 -9.727 -3.517 1.00 0.00 N ATOM 930 CA LEU A 66 -2.720 -9.820 -2.082 1.00 0.00 C ATOM 931 C LEU A 66 -3.874 -10.772 -1.785 1.00 0.00 C ATOM 932 O LEU A 66 -4.189 -11.040 -0.625 1.00 0.00 O ATOM 933 CB LEU A 66 -3.025 -8.436 -1.505 1.00 0.00 C ATOM 934 CG LEU A 66 -2.086 -7.309 -1.935 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.546 -5.980 -1.354 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.657 -7.613 -1.509 1.00 0.00 C ATOM 0 H LEU A 66 -3.090 -9.076 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.819 -10.213 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.042 -8.163 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.004 -8.505 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.112 -7.236 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.866 -5.189 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.552 -5.757 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.550 -6.041 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.003 -6.800 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.614 -7.714 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.329 -8.543 -1.973 1.00 0.00 H new ATOM 948 N VAL A 67 -4.500 -11.283 -2.841 1.00 0.00 N ATOM 949 CA VAL A 67 -5.617 -12.208 -2.694 1.00 0.00 C ATOM 950 C VAL A 67 -5.215 -13.429 -1.874 1.00 0.00 C ATOM 951 O VAL A 67 -4.381 -14.228 -2.299 1.00 0.00 O ATOM 952 CB VAL A 67 -6.143 -12.675 -4.064 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.162 -13.792 -3.893 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.746 -11.505 -4.829 1.00 0.00 C ATOM 0 H VAL A 67 -4.252 -11.072 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.408 -11.668 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.305 -13.066 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.522 -14.109 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.694 -14.637 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.000 -13.432 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.113 -11.852 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.573 -11.084 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.985 -10.740 -4.984 1.00 0.00 H new ATOM 964 N GLY A 68 -5.814 -13.568 -0.695 1.00 0.00 N ATOM 965 CA GLY A 68 -5.506 -14.694 0.166 1.00 0.00 C ATOM 966 C GLY A 68 -4.596 -14.313 1.317 1.00 0.00 C ATOM 967 O GLY A 68 -4.740 -14.823 2.428 1.00 0.00 O ATOM 0 H GLY A 68 -6.507 -12.920 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.433 -15.109 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.032 -15.479 -0.423 1.00 0.00 H new ATOM 971 N LEU A 69 -3.654 -13.414 1.051 1.00 0.00 N ATOM 972 CA LEU A 69 -2.715 -12.965 2.073 1.00 0.00 C ATOM 973 C LEU A 69 -3.451 -12.323 3.244 1.00 0.00 C ATOM 974 O LEU A 69 -4.430 -11.597 3.071 1.00 0.00 O ATOM 975 CB LEU A 69 -1.718 -11.971 1.475 1.00 0.00 C ATOM 976 CG LEU A 69 -0.649 -12.562 0.556 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.289 -11.474 0.057 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.132 -13.651 1.277 1.00 0.00 C ATOM 0 H LEU A 69 -3.521 -12.982 0.137 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.173 -13.836 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.276 -11.221 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.219 -11.452 2.293 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.146 -13.008 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.043 -11.915 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.281 -10.729 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.778 -10.998 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.889 -14.060 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.617 -13.229 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.549 -14.445 1.583 1.00 0.00 H new ATOM 990 N PRO A 70 -2.968 -12.593 4.466 1.00 0.00 N ATOM 991 CA PRO A 70 -3.563 -12.049 5.690 1.00 0.00 C ATOM 992 C PRO A 70 -3.339 -10.547 5.827 1.00 0.00 C ATOM 993 O PRO A 70 -2.402 -9.994 5.248 1.00 0.00 O ATOM 994 CB PRO A 70 -2.833 -12.803 6.805 1.00 0.00 C ATOM 995 CG PRO A 70 -1.529 -13.198 6.203 1.00 0.00 C ATOM 996 CD PRO A 70 -1.804 -13.450 4.747 1.00 0.00 C ATOM 0 HA PRO A 70 -4.645 -12.177 5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.689 -12.172 7.682 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.400 -13.676 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.786 -12.410 6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.131 -14.091 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.950 -13.184 4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.023 -14.500 4.555 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.202 -9.892 6.595 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.097 -8.452 6.808 1.00 0.00 C ATOM 1006 C LEU A 71 -2.707 -8.076 7.312 1.00 0.00 C ATOM 1007 O LEU A 71 -2.123 -7.086 6.872 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.158 -7.986 7.806 1.00 0.00 C ATOM 1009 CG LEU A 71 -5.070 -6.524 8.245 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.325 -5.597 7.067 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -6.056 -6.245 9.370 1.00 0.00 C ATOM 0 H LEU A 71 -4.982 -10.334 7.081 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.263 -7.955 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.141 -8.154 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.095 -8.616 8.694 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.063 -6.336 8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.258 -4.561 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.580 -5.779 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.320 -5.786 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.980 -5.200 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.069 -6.450 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.826 -6.885 10.222 1.00 0.00 H new ATOM 1023 N SER A 72 -2.183 -8.875 8.237 1.00 0.00 N ATOM 1024 CA SER A 72 -0.862 -8.625 8.802 1.00 0.00 C ATOM 1025 C SER A 72 0.208 -8.655 7.716 1.00 0.00 C ATOM 1026 O SER A 72 1.080 -7.786 7.661 1.00 0.00 O ATOM 1027 CB SER A 72 -0.541 -9.663 9.879 1.00 0.00 C ATOM 1028 OG SER A 72 0.673 -9.352 10.541 1.00 0.00 O ATOM 0 H SER A 72 -2.653 -9.700 8.610 1.00 0.00 H new ATOM 0 HA SER A 72 -0.869 -7.633 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.354 -9.703 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.469 -10.652 9.426 1.00 0.00 H new ATOM 0 HG SER A 72 0.855 -10.029 11.226 1.00 0.00 H new ATOM 1034 N THR A 73 0.137 -9.662 6.851 1.00 0.00 N ATOM 1035 CA THR A 73 1.100 -9.807 5.766 1.00 0.00 C ATOM 1036 C THR A 73 1.004 -8.643 4.787 1.00 0.00 C ATOM 1037 O THR A 73 1.968 -7.900 4.595 1.00 0.00 O ATOM 1038 CB THR A 73 0.888 -11.127 5.000 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.361 -12.229 5.782 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.612 -11.098 3.663 1.00 0.00 C ATOM 0 H THR A 73 -0.577 -10.389 6.881 1.00 0.00 H new ATOM 0 HA THR A 73 2.091 -9.815 6.221 1.00 0.00 H new ATOM 0 HB THR A 73 -0.179 -11.247 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.221 -13.064 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.448 -12.040 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.228 -10.276 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.680 -10.957 3.830 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.162 -8.489 4.170 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.383 -7.414 3.209 1.00 0.00 C ATOM 1050 C CYS A 74 0.207 -6.102 3.717 1.00 0.00 C ATOM 1051 O CYS A 74 0.826 -5.355 2.960 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.878 -7.243 2.938 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.712 -8.762 2.419 1.00 0.00 S ATOM 0 H CYS A 74 -0.969 -9.095 4.318 1.00 0.00 H new ATOM 0 HA CYS A 74 0.119 -7.682 2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.359 -6.867 3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.012 -6.485 2.166 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.735 -9.604 3.409 1.00 0.00 H new ATOM 1059 N GLN A 75 0.008 -5.827 5.002 1.00 0.00 N ATOM 1060 CA GLN A 75 0.518 -4.604 5.610 1.00 0.00 C ATOM 1061 C GLN A 75 2.035 -4.521 5.476 1.00 0.00 C ATOM 1062 O GLN A 75 2.579 -3.480 5.107 1.00 0.00 O ATOM 1063 CB GLN A 75 0.120 -4.538 7.085 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.219 -3.858 7.324 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.447 -3.517 8.784 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.525 -3.572 9.598 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.681 -3.161 9.122 1.00 0.00 N ATOM 0 H GLN A 75 -0.503 -6.435 5.642 1.00 0.00 H new ATOM 0 HA GLN A 75 0.078 -3.756 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.081 -5.550 7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.893 -4.004 7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.271 -2.946 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.021 -4.510 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.415 -3.129 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.895 -2.919 10.090 1.00 0.00 H new ATOM 1076 N SER A 76 2.712 -5.624 5.778 1.00 0.00 N ATOM 1077 CA SER A 76 4.167 -5.675 5.695 1.00 0.00 C ATOM 1078 C SER A 76 4.645 -5.302 4.295 1.00 0.00 C ATOM 1079 O SER A 76 5.566 -4.501 4.135 1.00 0.00 O ATOM 1080 CB SER A 76 4.671 -7.072 6.063 1.00 0.00 C ATOM 1081 OG SER A 76 6.054 -7.050 6.373 1.00 0.00 O ATOM 0 H SER A 76 2.276 -6.495 6.082 1.00 0.00 H new ATOM 0 HA SER A 76 4.572 -4.952 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.110 -7.451 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.492 -7.757 5.234 1.00 0.00 H new ATOM 0 HG SER A 76 6.351 -7.954 6.606 1.00 0.00 H new ATOM 1087 N ILE A 77 4.011 -5.887 3.285 1.00 0.00 N ATOM 1088 CA ILE A 77 4.370 -5.616 1.898 1.00 0.00 C ATOM 1089 C ILE A 77 4.300 -4.123 1.594 1.00 0.00 C ATOM 1090 O ILE A 77 4.989 -3.628 0.702 1.00 0.00 O ATOM 1091 CB ILE A 77 3.451 -6.372 0.921 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.495 -7.875 1.203 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.858 -6.085 -0.517 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.239 -8.605 0.784 1.00 0.00 C ATOM 0 H ILE A 77 3.246 -6.552 3.401 1.00 0.00 H new ATOM 0 HA ILE A 77 5.394 -5.964 1.763 1.00 0.00 H new ATOM 0 HB ILE A 77 2.428 -6.025 1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.349 -8.309 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.658 -8.032 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.200 -6.626 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.779 -5.015 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.887 -6.408 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.341 -9.666 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.384 -8.197 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.085 -8.479 -0.288 1.00 0.00 H new ATOM 1106 N ILE A 78 3.464 -3.412 2.343 1.00 0.00 N ATOM 1107 CA ILE A 78 3.306 -1.975 2.155 1.00 0.00 C ATOM 1108 C ILE A 78 4.356 -1.199 2.943 1.00 0.00 C ATOM 1109 O ILE A 78 4.657 -0.047 2.630 1.00 0.00 O ATOM 1110 CB ILE A 78 1.905 -1.502 2.585 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.835 -2.112 1.677 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.827 0.017 2.558 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.511 -2.268 2.349 1.00 0.00 C ATOM 0 H ILE A 78 2.886 -3.807 3.085 1.00 0.00 H new ATOM 0 HA ILE A 78 3.436 -1.780 1.091 1.00 0.00 H new ATOM 0 HB ILE A 78 1.722 -1.838 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.720 -1.485 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.176 -3.089 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.831 0.336 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.567 0.432 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.027 0.374 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.220 -2.706 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.411 -2.919 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.874 -1.291 2.668 1.00 0.00 H new ATOM 1125 N LYS A 79 4.912 -1.838 3.966 1.00 0.00 N ATOM 1126 CA LYS A 79 5.932 -1.211 4.798 1.00 0.00 C ATOM 1127 C LYS A 79 7.252 -1.090 4.042 1.00 0.00 C ATOM 1128 O LYS A 79 8.063 -0.210 4.327 1.00 0.00 O ATOM 1129 CB LYS A 79 6.139 -2.017 6.082 1.00 0.00 C ATOM 1130 CG LYS A 79 5.073 -1.769 7.134 1.00 0.00 C ATOM 1131 CD LYS A 79 5.133 -2.806 8.244 1.00 0.00 C ATOM 1132 CE LYS A 79 6.151 -2.424 9.308 1.00 0.00 C ATOM 1133 NZ LYS A 79 5.567 -1.519 10.336 1.00 0.00 N ATOM 0 H LYS A 79 4.673 -2.791 4.239 1.00 0.00 H new ATOM 0 HA LYS A 79 5.589 -0.209 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.155 -3.079 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.115 -1.772 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.203 -0.773 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.088 -1.791 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.149 -2.909 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.392 -3.777 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.528 -3.326 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.003 -1.935 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.293 -1.282 11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.230 -0.647 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.770 -1.995 10.805 1.00 0.00 H new ATOM 1147 N GLY A 80 7.460 -1.980 3.076 1.00 0.00 N ATOM 1148 CA GLY A 80 8.682 -1.954 2.294 1.00 0.00 C ATOM 1149 C GLY A 80 8.604 -0.988 1.129 1.00 0.00 C ATOM 1150 O GLY A 80 9.290 -1.163 0.121 1.00 0.00 O ATOM 0 H GLY A 80 6.804 -2.718 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.516 -1.675 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.891 -2.956 1.918 1.00 0.00 H new ATOM 1154 N LEU A 81 7.766 0.033 1.264 1.00 0.00 N ATOM 1155 CA LEU A 81 7.599 1.031 0.212 1.00 0.00 C ATOM 1156 C LEU A 81 8.146 2.384 0.654 1.00 0.00 C ATOM 1157 O LEU A 81 8.196 3.332 -0.130 1.00 0.00 O ATOM 1158 CB LEU A 81 6.122 1.162 -0.163 1.00 0.00 C ATOM 1159 CG LEU A 81 5.361 -0.148 -0.366 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.977 0.120 -0.935 1.00 0.00 C ATOM 1161 CD2 LEU A 81 6.143 -1.083 -1.277 1.00 0.00 C ATOM 0 H LEU A 81 7.191 0.192 2.091 1.00 0.00 H new ATOM 0 HA LEU A 81 8.161 0.701 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.619 1.733 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.052 1.746 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 81 5.244 -0.632 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.451 -0.825 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.416 0.751 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.070 0.626 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.586 -2.011 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.292 -0.607 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.112 -1.303 -0.828 1.00 0.00 H new ATOM 1173 N LYS A 82 8.556 2.468 1.915 1.00 0.00 N ATOM 1174 CA LYS A 82 9.103 3.703 2.462 1.00 0.00 C ATOM 1175 C LYS A 82 10.321 4.159 1.664 1.00 0.00 C ATOM 1176 O LYS A 82 10.575 5.356 1.531 1.00 0.00 O ATOM 1177 CB LYS A 82 9.486 3.510 3.931 1.00 0.00 C ATOM 1178 CG LYS A 82 10.561 4.470 4.411 1.00 0.00 C ATOM 1179 CD LYS A 82 11.006 4.145 5.827 1.00 0.00 C ATOM 1180 CE LYS A 82 10.015 4.666 6.857 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.369 4.233 8.237 1.00 0.00 N ATOM 0 H LYS A 82 8.520 1.694 2.578 1.00 0.00 H new ATOM 0 HA LYS A 82 8.335 4.473 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.597 3.635 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.833 2.487 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.418 4.423 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.182 5.491 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.113 3.066 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.987 4.583 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.986 5.755 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.015 4.311 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.670 4.609 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.372 3.194 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.313 4.594 8.483 1.00 0.00 H new ATOM 1195 N ASN A 83 11.070 3.197 1.135 1.00 0.00 N ATOM 1196 CA ASN A 83 12.261 3.501 0.350 1.00 0.00 C ATOM 1197 C ASN A 83 11.924 3.591 -1.135 1.00 0.00 C ATOM 1198 O ASN A 83 12.817 3.631 -1.982 1.00 0.00 O ATOM 1199 CB ASN A 83 13.333 2.433 0.577 1.00 0.00 C ATOM 1200 CG ASN A 83 14.199 2.731 1.786 1.00 0.00 C ATOM 1201 OD1 ASN A 83 15.377 3.061 1.654 1.00 0.00 O ATOM 1202 ND2 ASN A 83 13.616 2.616 2.974 1.00 0.00 N ATOM 0 H ASN A 83 10.874 2.201 1.235 1.00 0.00 H new ATOM 0 HA ASN A 83 12.645 4.467 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.854 1.463 0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.963 2.361 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.148 2.804 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.636 2.340 3.037 1.00 0.00 H new ATOM 1209 N GLN A 84 10.632 3.624 -1.443 1.00 0.00 N ATOM 1210 CA GLN A 84 10.178 3.709 -2.826 1.00 0.00 C ATOM 1211 C GLN A 84 9.299 4.938 -3.035 1.00 0.00 C ATOM 1212 O GLN A 84 8.130 4.950 -2.650 1.00 0.00 O ATOM 1213 CB GLN A 84 9.408 2.445 -3.211 1.00 0.00 C ATOM 1214 CG GLN A 84 10.104 1.159 -2.797 1.00 0.00 C ATOM 1215 CD GLN A 84 9.801 0.004 -3.732 1.00 0.00 C ATOM 1216 OE1 GLN A 84 9.081 0.161 -4.718 1.00 0.00 O ATOM 1217 NE2 GLN A 84 10.352 -1.165 -3.427 1.00 0.00 N ATOM 0 H GLN A 84 9.881 3.593 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 84 11.056 3.799 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.420 2.478 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.258 2.436 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.181 1.326 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.796 0.893 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.942 -1.250 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.185 -1.978 -4.020 1.00 0.00 H new ATOM 1226 N SER A 85 9.870 5.970 -3.647 1.00 0.00 N ATOM 1227 CA SER A 85 9.140 7.206 -3.904 1.00 0.00 C ATOM 1228 C SER A 85 7.904 6.939 -4.758 1.00 0.00 C ATOM 1229 O SER A 85 6.780 7.233 -4.351 1.00 0.00 O ATOM 1230 CB SER A 85 10.045 8.223 -4.601 1.00 0.00 C ATOM 1231 OG SER A 85 10.614 7.676 -5.778 1.00 0.00 O ATOM 0 H SER A 85 10.836 5.975 -3.974 1.00 0.00 H new ATOM 0 HA SER A 85 8.818 7.614 -2.946 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.470 9.115 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.838 8.535 -3.921 1.00 0.00 H new ATOM 0 HG SER A 85 11.187 8.346 -6.206 1.00 0.00 H new ATOM 1237 N ARG A 86 8.121 6.380 -5.944 1.00 0.00 N ATOM 1238 CA ARG A 86 7.026 6.074 -6.856 1.00 0.00 C ATOM 1239 C ARG A 86 6.672 4.591 -6.802 1.00 0.00 C ATOM 1240 O ARG A 86 7.465 3.737 -7.199 1.00 0.00 O ATOM 1241 CB ARG A 86 7.400 6.469 -8.286 1.00 0.00 C ATOM 1242 CG ARG A 86 6.229 6.432 -9.254 1.00 0.00 C ATOM 1243 CD ARG A 86 6.417 7.422 -10.393 1.00 0.00 C ATOM 1244 NE ARG A 86 5.154 7.744 -11.052 1.00 0.00 N ATOM 1245 CZ ARG A 86 5.070 8.439 -12.181 1.00 0.00 C ATOM 1246 NH1 ARG A 86 6.170 8.882 -12.773 1.00 0.00 N ATOM 1247 NH2 ARG A 86 3.884 8.691 -12.720 1.00 0.00 N ATOM 0 H ARG A 86 9.045 6.130 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 86 6.154 6.649 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.822 7.474 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.180 5.799 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.122 5.426 -9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.307 6.661 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.868 8.336 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.111 7.007 -11.123 1.00 0.00 H new ATOM 0 HE ARG A 86 4.289 7.417 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.083 8.689 -12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.103 9.415 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.035 8.351 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.821 9.225 -13.587 1.00 0.00 H new ATOM 1261 N VAL A 87 5.474 4.291 -6.309 1.00 0.00 N ATOM 1262 CA VAL A 87 5.014 2.912 -6.203 1.00 0.00 C ATOM 1263 C VAL A 87 3.714 2.706 -6.973 1.00 0.00 C ATOM 1264 O VAL A 87 2.817 3.548 -6.935 1.00 0.00 O ATOM 1265 CB VAL A 87 4.799 2.503 -4.734 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.636 0.995 -4.618 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.952 2.991 -3.871 1.00 0.00 C ATOM 0 H VAL A 87 4.805 4.985 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 87 5.793 2.284 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 87 3.883 2.972 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.485 0.725 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.774 0.676 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.532 0.502 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.783 2.693 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.884 2.553 -4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.016 4.078 -3.930 1.00 0.00 H new ATOM 1277 N LYS A 88 3.618 1.579 -7.670 1.00 0.00 N ATOM 1278 CA LYS A 88 2.427 1.259 -8.448 1.00 0.00 C ATOM 1279 C LYS A 88 1.539 0.269 -7.701 1.00 0.00 C ATOM 1280 O LYS A 88 2.002 -0.781 -7.253 1.00 0.00 O ATOM 1281 CB LYS A 88 2.822 0.680 -9.808 1.00 0.00 C ATOM 1282 CG LYS A 88 1.650 0.113 -10.591 1.00 0.00 C ATOM 1283 CD LYS A 88 2.090 -0.423 -11.943 1.00 0.00 C ATOM 1284 CE LYS A 88 1.129 -1.480 -12.463 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.188 -1.603 -13.946 1.00 0.00 N ATOM 0 H LYS A 88 4.351 0.871 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 88 1.865 2.180 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.301 1.460 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.562 -0.106 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.180 -0.686 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.897 0.888 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.152 0.397 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.090 -0.849 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.367 -2.442 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.113 -1.227 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.518 -2.334 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.936 -0.692 -14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.151 -1.869 -14.234 1.00 0.00 H new ATOM 1299 N LEU A 89 0.261 0.610 -7.571 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.693 -0.250 -6.879 1.00 0.00 C ATOM 1301 C LEU A 89 -2.028 -0.285 -7.616 1.00 0.00 C ATOM 1302 O LEU A 89 -2.452 0.711 -8.200 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.902 0.238 -5.444 1.00 0.00 C ATOM 1304 CG LEU A 89 0.292 0.935 -4.791 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.177 1.904 -3.718 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.252 -0.090 -4.205 1.00 0.00 C ATOM 0 H LEU A 89 -0.138 1.475 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.285 -1.260 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.748 0.925 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.180 -0.617 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 89 0.821 1.502 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.687 2.391 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.824 2.658 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.730 1.360 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.096 0.424 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.734 -0.685 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.614 -0.744 -4.998 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.686 -1.440 -7.582 1.00 0.00 N ATOM 1319 CA ASN A 90 -3.974 -1.604 -8.246 1.00 0.00 C ATOM 1320 C ASN A 90 -5.121 -1.459 -7.251 1.00 0.00 C ATOM 1321 O ASN A 90 -5.287 -2.286 -6.354 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.048 -2.971 -8.930 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.048 -2.994 -10.069 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -5.983 -2.051 -10.055 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -4.981 -3.850 -10.952 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.349 -2.275 -7.102 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.069 -0.822 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.062 -3.238 -9.310 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.321 -3.728 -8.195 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.245 -4.556 -10.923 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.661 -3.853 -11.712 1.00 0.00 H new ATOM 1332 N ILE A 91 -5.910 -0.403 -7.417 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.043 -0.150 -6.534 1.00 0.00 C ATOM 1334 C ILE A 91 -8.361 -0.495 -7.219 1.00 0.00 C ATOM 1335 O ILE A 91 -8.511 -0.315 -8.427 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.083 1.321 -6.078 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.749 1.718 -5.442 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.228 1.541 -5.101 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.503 1.066 -4.100 1.00 0.00 C ATOM 0 H ILE A 91 -5.786 0.291 -8.154 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.912 -0.789 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.249 1.952 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.939 1.452 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.721 2.801 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.243 2.585 -4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.172 1.294 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.090 0.902 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.540 1.392 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.293 1.353 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.499 -0.018 -4.217 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.315 -0.990 -6.437 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.623 -1.357 -6.967 1.00 0.00 C ATOM 1353 C VAL A 92 -11.725 -1.083 -5.950 1.00 0.00 C ATOM 1354 O VAL A 92 -11.826 -1.765 -4.930 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.668 -2.844 -7.369 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.068 -3.233 -7.821 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.647 -3.132 -8.459 1.00 0.00 C ATOM 0 H VAL A 92 -9.207 -1.146 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.790 -0.743 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.414 -3.446 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.080 -4.286 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.773 -3.066 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.355 -2.626 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.693 -4.187 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.868 -2.522 -9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.648 -2.894 -8.094 1.00 0.00 H new ATOM 1367 N SER A 93 -12.549 -0.080 -6.235 1.00 0.00 N ATOM 1368 CA SER A 93 -13.643 0.287 -5.343 1.00 0.00 C ATOM 1369 C SER A 93 -14.270 -0.953 -4.713 1.00 0.00 C ATOM 1370 O SER A 93 -14.801 -1.817 -5.410 1.00 0.00 O ATOM 1371 CB SER A 93 -14.707 1.078 -6.106 1.00 0.00 C ATOM 1372 OG SER A 93 -15.983 0.923 -5.510 1.00 0.00 O ATOM 0 H SER A 93 -12.480 0.493 -7.076 1.00 0.00 H new ATOM 0 HA SER A 93 -13.236 0.911 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.436 2.134 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.743 0.740 -7.142 1.00 0.00 H new ATOM 0 HG SER A 93 -16.645 1.439 -6.015 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.204 -1.034 -3.387 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.768 -2.171 -2.684 1.00 0.00 C ATOM 1380 C GLY A 94 -16.192 -2.467 -3.109 1.00 0.00 C ATOM 1381 O GLY A 94 -16.745 -1.820 -3.999 1.00 0.00 O ATOM 0 H GLY A 94 -13.770 -0.332 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.148 -3.049 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.745 -1.979 -1.611 1.00 0.00 H new ATOM 1385 N PRO A 95 -16.809 -3.470 -2.466 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.186 -3.874 -2.767 1.00 0.00 C ATOM 1387 C PRO A 95 -19.206 -2.831 -2.325 1.00 0.00 C ATOM 1388 O PRO A 95 -19.266 -2.467 -1.151 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.359 -5.166 -1.965 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.383 -5.051 -0.846 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.211 -4.285 -1.396 1.00 0.00 C ATOM 0 HA PRO A 95 -18.351 -3.995 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.378 -5.267 -1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.156 -6.043 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.824 -4.532 0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.075 -6.036 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.742 -3.664 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.440 -4.952 -1.782 1.00 0.00 H new ATOM 1399 N SER A 96 -20.008 -2.355 -3.272 1.00 0.00 N ATOM 1400 CA SER A 96 -21.024 -1.351 -2.980 1.00 0.00 C ATOM 1401 C SER A 96 -22.423 -1.953 -3.068 1.00 0.00 C ATOM 1402 O SER A 96 -23.228 -1.819 -2.146 1.00 0.00 O ATOM 1403 CB SER A 96 -20.901 -0.173 -3.949 1.00 0.00 C ATOM 1404 OG SER A 96 -20.977 -0.610 -5.295 1.00 0.00 O ATOM 0 H SER A 96 -19.974 -2.649 -4.248 1.00 0.00 H new ATOM 0 HA SER A 96 -20.864 -0.993 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 96 -21.694 0.548 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.954 0.341 -3.783 1.00 0.00 H new ATOM 0 HG SER A 96 -20.898 0.161 -5.894 1.00 0.00 H new ATOM 1410 N SER A 97 -22.706 -2.616 -4.184 1.00 0.00 N ATOM 1411 CA SER A 97 -24.009 -3.236 -4.396 1.00 0.00 C ATOM 1412 C SER A 97 -24.490 -3.935 -3.128 1.00 0.00 C ATOM 1413 O SER A 97 -23.735 -4.659 -2.480 1.00 0.00 O ATOM 1414 CB SER A 97 -23.940 -4.238 -5.550 1.00 0.00 C ATOM 1415 OG SER A 97 -25.215 -4.430 -6.136 1.00 0.00 O ATOM 0 H SER A 97 -22.051 -2.738 -4.956 1.00 0.00 H new ATOM 0 HA SER A 97 -24.721 -2.450 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 97 -23.240 -3.880 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.557 -5.191 -5.186 1.00 0.00 H new ATOM 0 HG SER A 97 -25.143 -5.073 -6.872 1.00 0.00 H new ATOM 1421 N GLY A 98 -25.755 -3.713 -2.781 1.00 0.00 N ATOM 1422 CA GLY A 98 -26.316 -4.328 -1.592 1.00 0.00 C ATOM 1423 C GLY A 98 -26.580 -3.323 -0.489 1.00 0.00 C ATOM 1424 O GLY A 98 -25.720 -2.503 -0.168 1.00 0.00 O ATOM 0 H GLY A 98 -26.400 -3.119 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -27.248 -4.831 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -25.632 -5.094 -1.226 1.00 0.00 H new TER 1428 GLY A 98