USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -1.64 USER MOD Set 2.2: A 85 MET CE :methyl -178:sc= -0.296 (180deg=-0.306) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00898) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.981 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0722 K(o=-0.072,f=-0.71) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0156 (180deg=-0.397) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.135 F(o=-0.93,f=-0.14) USER MOD Single : A 32 ASN : amide:sc= -2.7 K(o=-2.7,f=-3.6!) USER MOD Single : A 44 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0084) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0351 (180deg=-0.843) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 59 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.5) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.012) USER MOD Single : A 63 MET CE :methyl -96:sc= -0.0227 (180deg=-0.172) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 150:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.408 USER MOD Single : A 87 THR OG1 : rot 32:sc= 0.265 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.053) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -3.33! USER MOD Single : A 109 LYS NZ :NH3+ -103:sc= -0.57 (180deg=-2.09!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.15) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.359 -0.486 8.736 1.00 0.00 N ATOM 2 CA ALA A 2 -13.287 0.475 9.118 1.00 0.00 C ATOM 3 C ALA A 2 -13.659 1.876 8.632 1.00 0.00 C ATOM 4 O ALA A 2 -14.518 2.038 7.789 1.00 0.00 O ATOM 5 CB ALA A 2 -11.964 0.049 8.475 1.00 0.00 C ATOM 0 HA ALA A 2 -13.179 0.483 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.180 0.753 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.696 -0.949 8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.073 0.040 7.390 1.00 0.00 H new ATOM 11 N ASP A 3 -13.013 2.887 9.152 1.00 0.00 N ATOM 12 CA ASP A 3 -13.321 4.278 8.713 1.00 0.00 C ATOM 13 C ASP A 3 -13.399 4.303 7.189 1.00 0.00 C ATOM 14 O ASP A 3 -12.575 3.720 6.528 1.00 0.00 O ATOM 15 CB ASP A 3 -12.196 5.211 9.173 1.00 0.00 C ATOM 16 CG ASP A 3 -12.722 6.154 10.258 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.652 6.890 9.974 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.184 6.124 11.352 1.00 0.00 O ATOM 0 H ASP A 3 -12.285 2.808 9.862 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.268 4.605 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.360 4.627 9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.819 5.787 8.328 1.00 0.00 H new ATOM 23 N LYS A 4 -14.385 4.951 6.626 1.00 0.00 N ATOM 24 CA LYS A 4 -14.489 5.003 5.138 1.00 0.00 C ATOM 25 C LYS A 4 -13.738 6.232 4.606 1.00 0.00 C ATOM 26 O LYS A 4 -13.934 6.648 3.483 1.00 0.00 O ATOM 27 CB LYS A 4 -15.956 5.061 4.693 1.00 0.00 C ATOM 28 CG LYS A 4 -16.865 5.417 5.868 1.00 0.00 C ATOM 29 CD LYS A 4 -18.318 5.432 5.384 1.00 0.00 C ATOM 30 CE LYS A 4 -18.978 4.092 5.709 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.372 4.067 7.146 1.00 0.00 N ATOM 0 H LYS A 4 -15.121 5.445 7.131 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.041 4.097 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.072 5.801 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.253 4.099 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.743 4.692 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.593 6.391 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.864 6.244 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.353 5.616 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.854 3.944 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.290 3.274 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.467 3.081 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.643 4.545 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.281 4.558 7.265 1.00 0.00 H new ATOM 45 N GLU A 5 -12.894 6.823 5.407 1.00 0.00 N ATOM 46 CA GLU A 5 -12.142 8.032 4.955 1.00 0.00 C ATOM 47 C GLU A 5 -10.675 7.864 5.326 1.00 0.00 C ATOM 48 O GLU A 5 -10.054 8.750 5.879 1.00 0.00 O ATOM 49 CB GLU A 5 -12.706 9.272 5.649 1.00 0.00 C ATOM 50 CG GLU A 5 -12.935 8.967 7.131 1.00 0.00 C ATOM 51 CD GLU A 5 -13.126 10.275 7.900 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.111 10.950 7.647 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.286 10.580 8.729 1.00 0.00 O ATOM 0 H GLU A 5 -12.691 6.520 6.360 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.240 8.149 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.015 10.108 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.643 9.570 5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.813 8.332 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.085 8.417 7.535 1.00 0.00 H new ATOM 60 N LEU A 6 -10.121 6.723 5.034 1.00 0.00 N ATOM 61 CA LEU A 6 -8.703 6.475 5.374 1.00 0.00 C ATOM 62 C LEU A 6 -7.823 6.915 4.200 1.00 0.00 C ATOM 63 O LEU A 6 -7.950 6.423 3.100 1.00 0.00 O ATOM 64 CB LEU A 6 -8.532 4.977 5.674 1.00 0.00 C ATOM 65 CG LEU A 6 -7.131 4.659 6.229 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.797 5.557 7.425 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.101 3.206 6.696 1.00 0.00 C ATOM 0 H LEU A 6 -10.597 5.948 4.571 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.403 7.045 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.288 4.662 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.701 4.403 4.763 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.400 4.832 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.802 5.312 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.820 6.601 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.530 5.398 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.113 2.971 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.848 3.059 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.321 2.549 5.855 1.00 0.00 H new ATOM 79 N LYS A 7 -6.950 7.863 4.422 1.00 0.00 N ATOM 80 CA LYS A 7 -6.082 8.367 3.317 1.00 0.00 C ATOM 81 C LYS A 7 -5.187 7.252 2.771 1.00 0.00 C ATOM 82 O LYS A 7 -4.377 6.684 3.483 1.00 0.00 O ATOM 83 CB LYS A 7 -5.202 9.502 3.840 1.00 0.00 C ATOM 84 CG LYS A 7 -5.936 10.833 3.671 1.00 0.00 C ATOM 85 CD LYS A 7 -5.301 11.886 4.583 1.00 0.00 C ATOM 86 CE LYS A 7 -5.672 13.285 4.085 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.000 14.309 4.934 1.00 0.00 N ATOM 0 H LYS A 7 -6.801 8.312 5.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.724 8.726 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.963 9.337 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.257 9.524 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.886 11.159 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.991 10.712 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.646 11.750 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.217 11.768 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.370 13.404 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.753 13.420 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.252 15.260 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.309 14.199 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.969 14.184 4.879 1.00 0.00 H new ATOM 101 N PHE A 8 -5.317 6.957 1.500 1.00 0.00 N ATOM 102 CA PHE A 8 -4.474 5.906 0.875 1.00 0.00 C ATOM 103 C PHE A 8 -3.495 6.559 -0.095 1.00 0.00 C ATOM 104 O PHE A 8 -3.781 7.588 -0.670 1.00 0.00 O ATOM 105 CB PHE A 8 -5.350 4.955 0.055 1.00 0.00 C ATOM 106 CG PHE A 8 -6.167 4.057 0.943 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.667 2.818 1.351 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.441 4.459 1.339 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.444 1.983 2.163 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.215 3.628 2.148 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.718 2.390 2.563 1.00 0.00 C ATOM 0 H PHE A 8 -5.979 7.407 0.868 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.951 5.365 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.013 5.533 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.721 4.349 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.681 2.504 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.829 5.415 1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.058 1.025 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.202 3.942 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.318 1.749 3.192 1.00 0.00 H new ATOM 121 N LEU A 9 -2.361 5.948 -0.304 1.00 0.00 N ATOM 122 CA LEU A 9 -1.371 6.501 -1.278 1.00 0.00 C ATOM 123 C LEU A 9 -1.052 5.408 -2.301 1.00 0.00 C ATOM 124 O LEU A 9 -0.332 4.474 -2.006 1.00 0.00 O ATOM 125 CB LEU A 9 -0.091 6.921 -0.544 1.00 0.00 C ATOM 126 CG LEU A 9 1.023 7.210 -1.564 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.511 8.171 -2.638 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.227 7.842 -0.862 1.00 0.00 C ATOM 0 H LEU A 9 -2.074 5.086 0.159 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.783 7.378 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.282 7.807 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.224 6.131 0.138 1.00 0.00 H new ATOM 0 HG LEU A 9 1.323 6.270 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.306 8.371 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.339 7.722 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.200 9.106 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.010 8.043 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.924 8.776 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.606 7.158 -0.103 1.00 0.00 H new ATOM 140 N VAL A 10 -1.586 5.498 -3.497 1.00 0.00 N ATOM 141 CA VAL A 10 -1.307 4.443 -4.509 1.00 0.00 C ATOM 142 C VAL A 10 -0.116 4.854 -5.380 1.00 0.00 C ATOM 143 O VAL A 10 -0.206 5.737 -6.210 1.00 0.00 O ATOM 144 CB VAL A 10 -2.549 4.231 -5.377 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.687 3.688 -4.511 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.981 5.554 -6.007 1.00 0.00 C ATOM 0 H VAL A 10 -2.198 6.252 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.060 3.510 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.313 3.519 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.573 3.536 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.386 2.739 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.914 4.402 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.866 5.392 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.213 6.273 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.173 5.942 -6.627 1.00 0.00 H new ATOM 156 N VAL A 11 1.009 4.219 -5.196 1.00 0.00 N ATOM 157 CA VAL A 11 2.197 4.578 -6.007 1.00 0.00 C ATOM 158 C VAL A 11 2.226 3.726 -7.279 1.00 0.00 C ATOM 159 O VAL A 11 1.579 4.039 -8.258 1.00 0.00 O ATOM 160 CB VAL A 11 3.467 4.354 -5.182 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.694 4.782 -5.992 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.385 5.200 -3.911 1.00 0.00 C ATOM 0 H VAL A 11 1.153 3.469 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 11 2.145 5.629 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 11 3.555 3.298 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.595 4.621 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.750 4.192 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.612 5.839 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.285 5.049 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.300 6.253 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.511 4.902 -3.331 1.00 0.00 H new ATOM 172 N ASP A 12 2.963 2.650 -7.276 1.00 0.00 N ATOM 173 CA ASP A 12 3.018 1.785 -8.490 1.00 0.00 C ATOM 174 C ASP A 12 3.381 2.635 -9.710 1.00 0.00 C ATOM 175 O ASP A 12 3.888 3.733 -9.588 1.00 0.00 O ATOM 176 CB ASP A 12 1.650 1.134 -8.716 1.00 0.00 C ATOM 177 CG ASP A 12 1.826 -0.172 -9.493 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.876 -0.347 -10.088 1.00 0.00 O ATOM 179 OD2 ASP A 12 0.907 -0.974 -9.480 1.00 0.00 O ATOM 0 H ASP A 12 3.528 2.332 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 12 3.773 1.011 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.167 0.937 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.000 1.813 -9.268 1.00 0.00 H new ATOM 184 N ASP A 13 3.123 2.135 -10.888 1.00 0.00 N ATOM 185 CA ASP A 13 3.450 2.909 -12.120 1.00 0.00 C ATOM 186 C ASP A 13 2.760 2.260 -13.321 1.00 0.00 C ATOM 187 O ASP A 13 3.006 2.611 -14.458 1.00 0.00 O ATOM 188 CB ASP A 13 4.965 2.910 -12.339 1.00 0.00 C ATOM 189 CG ASP A 13 5.540 1.551 -11.936 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.800 1.365 -10.758 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.714 0.720 -12.812 1.00 0.00 O ATOM 0 H ASP A 13 2.699 1.222 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 13 3.102 3.936 -12.009 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.192 3.117 -13.385 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.428 3.702 -11.750 1.00 0.00 H new ATOM 196 N PHE A 14 1.897 1.311 -13.076 1.00 0.00 N ATOM 197 CA PHE A 14 1.189 0.633 -14.198 1.00 0.00 C ATOM 198 C PHE A 14 0.497 1.677 -15.075 1.00 0.00 C ATOM 199 O PHE A 14 0.183 1.428 -16.222 1.00 0.00 O ATOM 200 CB PHE A 14 0.138 -0.324 -13.631 1.00 0.00 C ATOM 201 CG PHE A 14 0.290 -1.681 -14.278 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.161 -1.812 -15.667 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.558 -2.809 -13.491 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.301 -3.069 -16.267 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.697 -4.065 -14.093 1.00 0.00 C ATOM 206 CZ PHE A 14 0.569 -4.195 -15.481 1.00 0.00 C ATOM 0 H PHE A 14 1.652 0.976 -12.144 1.00 0.00 H new ATOM 0 HA PHE A 14 1.911 0.076 -14.796 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.254 -0.410 -12.551 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.862 0.068 -13.814 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.046 -0.944 -16.275 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.657 -2.709 -12.420 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.202 -3.170 -17.338 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.903 -4.934 -13.486 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.677 -5.164 -15.945 1.00 0.00 H new ATOM 216 N SER A 15 0.252 2.843 -14.545 1.00 0.00 N ATOM 217 CA SER A 15 -0.425 3.897 -15.350 1.00 0.00 C ATOM 218 C SER A 15 -1.897 3.522 -15.530 1.00 0.00 C ATOM 219 O SER A 15 -2.691 4.305 -16.013 1.00 0.00 O ATOM 220 CB SER A 15 0.245 4.002 -16.721 1.00 0.00 C ATOM 221 OG SER A 15 1.586 3.539 -16.627 1.00 0.00 O ATOM 0 H SER A 15 0.491 3.111 -13.590 1.00 0.00 H new ATOM 0 HA SER A 15 -0.350 4.856 -14.837 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.305 3.411 -17.453 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.229 5.035 -17.068 1.00 0.00 H new ATOM 0 HG SER A 15 2.017 3.604 -17.505 1.00 0.00 H new ATOM 227 N THR A 16 -2.261 2.326 -15.139 1.00 0.00 N ATOM 228 CA THR A 16 -3.680 1.884 -15.279 1.00 0.00 C ATOM 229 C THR A 16 -4.121 1.174 -13.995 1.00 0.00 C ATOM 230 O THR A 16 -5.287 0.900 -13.797 1.00 0.00 O ATOM 231 CB THR A 16 -3.802 0.928 -16.470 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.128 0.981 -16.980 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.483 -0.502 -16.025 1.00 0.00 C ATOM 0 H THR A 16 -1.633 1.635 -14.728 1.00 0.00 H new ATOM 0 HA THR A 16 -4.319 2.751 -15.448 1.00 0.00 H new ATOM 0 HB THR A 16 -3.097 1.226 -17.246 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.210 0.372 -17.743 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.572 -1.176 -16.877 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.466 -0.543 -15.634 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.184 -0.806 -15.247 1.00 0.00 H new ATOM 241 N MET A 17 -3.199 0.883 -13.115 1.00 0.00 N ATOM 242 CA MET A 17 -3.574 0.204 -11.843 1.00 0.00 C ATOM 243 C MET A 17 -4.364 1.185 -10.978 1.00 0.00 C ATOM 244 O MET A 17 -5.433 0.879 -10.490 1.00 0.00 O ATOM 245 CB MET A 17 -2.311 -0.227 -11.091 1.00 0.00 C ATOM 246 CG MET A 17 -2.683 -0.638 -9.665 1.00 0.00 C ATOM 247 SD MET A 17 -2.629 0.811 -8.580 1.00 0.00 S ATOM 248 CE MET A 17 -2.001 -0.030 -7.105 1.00 0.00 C ATOM 0 H MET A 17 -2.205 1.086 -13.223 1.00 0.00 H new ATOM 0 HA MET A 17 -4.177 -0.677 -12.062 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.833 -1.059 -11.608 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.591 0.591 -11.069 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.680 -1.078 -9.651 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.993 -1.401 -9.304 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.889 0.691 -6.295 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.702 -0.809 -6.804 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.033 -0.479 -7.327 1.00 0.00 H new ATOM 258 N ARG A 18 -3.833 2.364 -10.794 1.00 0.00 N ATOM 259 CA ARG A 18 -4.529 3.394 -9.971 1.00 0.00 C ATOM 260 C ARG A 18 -6.022 3.396 -10.291 1.00 0.00 C ATOM 261 O ARG A 18 -6.856 3.514 -9.415 1.00 0.00 O ATOM 262 CB ARG A 18 -3.960 4.776 -10.299 1.00 0.00 C ATOM 263 CG ARG A 18 -2.637 4.625 -11.058 1.00 0.00 C ATOM 264 CD ARG A 18 -2.003 6.001 -11.283 1.00 0.00 C ATOM 265 NE ARG A 18 -2.165 6.397 -12.711 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.205 7.660 -13.036 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.135 8.431 -12.541 1.00 0.00 N ATOM 268 NH2 ARG A 18 -1.316 8.153 -13.854 1.00 0.00 N ATOM 0 H ARG A 18 -2.938 2.660 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.379 3.163 -8.916 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.673 5.340 -10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.801 5.341 -9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.955 3.989 -10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.811 4.135 -12.016 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.473 6.740 -10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.946 5.973 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.245 5.681 -13.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.829 8.046 -11.901 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.167 9.418 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.589 7.551 -14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.348 9.140 -14.107 1.00 0.00 H new ATOM 282 N ARG A 19 -6.367 3.281 -11.543 1.00 0.00 N ATOM 283 CA ARG A 19 -7.805 3.293 -11.920 1.00 0.00 C ATOM 284 C ARG A 19 -8.518 2.082 -11.310 1.00 0.00 C ATOM 285 O ARG A 19 -9.601 2.193 -10.771 1.00 0.00 O ATOM 286 CB ARG A 19 -7.934 3.240 -13.443 1.00 0.00 C ATOM 287 CG ARG A 19 -7.473 4.569 -14.047 1.00 0.00 C ATOM 288 CD ARG A 19 -7.814 4.596 -15.538 1.00 0.00 C ATOM 289 NE ARG A 19 -6.732 5.298 -16.282 1.00 0.00 N ATOM 290 CZ ARG A 19 -6.802 5.416 -17.579 1.00 0.00 C ATOM 291 NH1 ARG A 19 -7.089 4.377 -18.314 1.00 0.00 N ATOM 292 NH2 ARG A 19 -6.588 6.575 -18.140 1.00 0.00 N ATOM 0 H ARG A 19 -5.714 3.179 -12.320 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.263 4.207 -11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.334 2.421 -13.840 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.969 3.042 -13.723 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.959 5.401 -13.537 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.399 4.692 -13.906 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.928 3.579 -15.914 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.766 5.103 -15.695 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.936 5.687 -15.777 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.259 3.472 -17.874 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.144 4.469 -19.328 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.366 7.387 -17.564 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.642 6.668 -19.154 1.00 0.00 H new ATOM 306 N ILE A 20 -7.925 0.924 -11.401 1.00 0.00 N ATOM 307 CA ILE A 20 -8.572 -0.297 -10.841 1.00 0.00 C ATOM 308 C ILE A 20 -8.868 -0.103 -9.350 1.00 0.00 C ATOM 309 O ILE A 20 -9.972 -0.331 -8.893 1.00 0.00 O ATOM 310 CB ILE A 20 -7.635 -1.495 -11.028 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.867 -2.105 -12.413 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.911 -2.553 -9.955 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.737 -3.087 -12.736 1.00 0.00 C ATOM 0 H ILE A 20 -7.017 0.770 -11.840 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.511 -0.477 -11.365 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.602 -1.159 -10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.828 -2.619 -12.439 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.906 -1.318 -13.166 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.239 -3.400 -10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.746 -2.122 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.944 -2.892 -10.035 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.903 -3.521 -13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.783 -2.560 -12.727 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.720 -3.880 -11.989 1.00 0.00 H new ATOM 325 N VAL A 21 -7.891 0.295 -8.585 1.00 0.00 N ATOM 326 CA VAL A 21 -8.120 0.475 -7.122 1.00 0.00 C ATOM 327 C VAL A 21 -9.046 1.668 -6.866 1.00 0.00 C ATOM 328 O VAL A 21 -9.849 1.653 -5.956 1.00 0.00 O ATOM 329 CB VAL A 21 -6.786 0.703 -6.415 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.440 -0.531 -5.582 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.690 0.937 -7.454 1.00 0.00 C ATOM 0 H VAL A 21 -6.946 0.503 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.592 -0.426 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.862 1.575 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.488 -0.373 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.221 -0.701 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.363 -1.401 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.738 1.100 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.612 0.065 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.937 1.814 -8.053 1.00 0.00 H new ATOM 341 N ARG A 22 -8.939 2.702 -7.654 1.00 0.00 N ATOM 342 CA ARG A 22 -9.811 3.894 -7.449 1.00 0.00 C ATOM 343 C ARG A 22 -11.258 3.444 -7.226 1.00 0.00 C ATOM 344 O ARG A 22 -11.884 3.786 -6.243 1.00 0.00 O ATOM 345 CB ARG A 22 -9.754 4.776 -8.699 1.00 0.00 C ATOM 346 CG ARG A 22 -8.806 5.962 -8.480 1.00 0.00 C ATOM 347 CD ARG A 22 -9.562 7.117 -7.819 1.00 0.00 C ATOM 348 NE ARG A 22 -10.541 6.579 -6.832 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.586 7.070 -5.624 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.291 8.325 -5.419 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.924 6.307 -4.622 1.00 0.00 N ATOM 0 H ARG A 22 -8.284 2.773 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.464 4.451 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.417 4.187 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.753 5.141 -8.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.968 5.658 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.389 6.287 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.860 7.786 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.081 7.705 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.176 5.827 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.026 8.921 -6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.326 8.709 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.153 5.326 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.959 6.691 -3.678 1.00 0.00 H new ATOM 365 N ASN A 23 -11.789 2.683 -8.139 1.00 0.00 N ATOM 366 CA ASN A 23 -13.180 2.200 -8.013 1.00 0.00 C ATOM 367 C ASN A 23 -13.278 1.221 -6.854 1.00 0.00 C ATOM 368 O ASN A 23 -14.035 1.402 -5.924 1.00 0.00 O ATOM 369 CB ASN A 23 -13.512 1.463 -9.296 1.00 0.00 C ATOM 370 CG ASN A 23 -14.885 1.897 -9.812 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.756 2.241 -9.038 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.115 1.894 -11.096 1.00 0.00 N ATOM 0 H ASN A 23 -11.304 2.372 -8.981 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.862 3.032 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.751 1.667 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.505 0.388 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.027 2.181 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.383 1.605 -11.745 1.00 0.00 H new ATOM 379 N LEU A 24 -12.510 0.177 -6.927 1.00 0.00 N ATOM 380 CA LEU A 24 -12.516 -0.860 -5.860 1.00 0.00 C ATOM 381 C LEU A 24 -12.590 -0.188 -4.479 1.00 0.00 C ATOM 382 O LEU A 24 -13.537 -0.371 -3.740 1.00 0.00 O ATOM 383 CB LEU A 24 -11.214 -1.650 -5.986 1.00 0.00 C ATOM 384 CG LEU A 24 -11.318 -3.027 -5.288 1.00 0.00 C ATOM 385 CD1 LEU A 24 -11.187 -4.151 -6.325 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.195 -3.198 -4.260 1.00 0.00 C ATOM 0 H LEU A 24 -11.865 -0.007 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.378 -1.518 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.974 -1.792 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.396 -1.079 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.286 -3.077 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.261 -5.117 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.985 -4.061 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.221 -4.074 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.286 -4.173 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.229 -3.129 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.269 -2.414 -3.506 1.00 0.00 H new ATOM 398 N LEU A 25 -11.601 0.596 -4.133 1.00 0.00 N ATOM 399 CA LEU A 25 -11.613 1.290 -2.808 1.00 0.00 C ATOM 400 C LEU A 25 -12.918 2.079 -2.655 1.00 0.00 C ATOM 401 O LEU A 25 -13.527 2.087 -1.604 1.00 0.00 O ATOM 402 CB LEU A 25 -10.421 2.252 -2.733 1.00 0.00 C ATOM 403 CG LEU A 25 -9.177 1.511 -2.224 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.955 2.418 -2.372 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.344 1.131 -0.745 1.00 0.00 C ATOM 0 H LEU A 25 -10.783 0.786 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.541 0.554 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.224 2.676 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.656 3.084 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.045 0.602 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.069 1.896 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.821 2.679 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.103 3.326 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.453 0.606 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.485 2.034 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.213 0.483 -0.632 1.00 0.00 H new ATOM 417 N LYS A 26 -13.349 2.746 -3.690 1.00 0.00 N ATOM 418 CA LYS A 26 -14.607 3.534 -3.596 1.00 0.00 C ATOM 419 C LYS A 26 -15.785 2.603 -3.301 1.00 0.00 C ATOM 420 O LYS A 26 -16.682 2.940 -2.554 1.00 0.00 O ATOM 421 CB LYS A 26 -14.853 4.268 -4.917 1.00 0.00 C ATOM 422 CG LYS A 26 -16.146 5.082 -4.817 1.00 0.00 C ATOM 423 CD LYS A 26 -15.939 6.453 -5.463 1.00 0.00 C ATOM 424 CE LYS A 26 -17.280 7.185 -5.543 1.00 0.00 C ATOM 425 NZ LYS A 26 -17.833 7.357 -4.170 1.00 0.00 N ATOM 0 H LYS A 26 -12.883 2.779 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.514 4.260 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.013 4.926 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.924 3.552 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.960 4.554 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.433 5.200 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.227 7.038 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.515 6.337 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.148 8.157 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.979 6.620 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.586 8.074 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.223 6.452 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.076 7.665 -3.527 1.00 0.00 H new ATOM 439 N GLU A 27 -15.796 1.438 -3.887 1.00 0.00 N ATOM 440 CA GLU A 27 -16.917 0.493 -3.647 1.00 0.00 C ATOM 441 C GLU A 27 -16.996 0.151 -2.160 1.00 0.00 C ATOM 442 O GLU A 27 -18.060 -0.066 -1.617 1.00 0.00 O ATOM 443 CB GLU A 27 -16.691 -0.787 -4.452 1.00 0.00 C ATOM 444 CG GLU A 27 -17.845 -1.760 -4.199 1.00 0.00 C ATOM 445 CD GLU A 27 -17.950 -2.745 -5.364 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.867 -2.303 -6.498 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.111 -3.926 -5.102 1.00 0.00 O ATOM 0 H GLU A 27 -15.074 1.101 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.851 0.960 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.624 -0.554 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.745 -1.246 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.681 -2.300 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.780 -1.210 -4.089 1.00 0.00 H new ATOM 454 N LEU A 28 -15.875 0.094 -1.498 1.00 0.00 N ATOM 455 CA LEU A 28 -15.882 -0.242 -0.049 1.00 0.00 C ATOM 456 C LEU A 28 -16.345 0.970 0.760 1.00 0.00 C ATOM 457 O LEU A 28 -17.215 0.872 1.601 1.00 0.00 O ATOM 458 CB LEU A 28 -14.470 -0.634 0.390 1.00 0.00 C ATOM 459 CG LEU A 28 -14.184 -2.074 -0.036 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.686 -2.242 -0.293 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.620 -3.031 1.076 1.00 0.00 C ATOM 0 H LEU A 28 -14.953 0.266 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.564 -1.074 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.739 0.040 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.374 -0.538 1.472 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.737 -2.299 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.482 -3.269 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.374 -1.561 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.133 -2.017 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.416 -4.058 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.067 -2.805 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.688 -2.912 1.260 1.00 0.00 H new ATOM 473 N GLY A 29 -15.760 2.106 0.517 1.00 0.00 N ATOM 474 CA GLY A 29 -16.147 3.320 1.273 1.00 0.00 C ATOM 475 C GLY A 29 -14.931 4.233 1.424 1.00 0.00 C ATOM 476 O GLY A 29 -14.573 4.613 2.517 1.00 0.00 O ATOM 0 H GLY A 29 -15.026 2.244 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.948 3.846 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.532 3.043 2.255 1.00 0.00 H new ATOM 480 N PHE A 30 -14.287 4.585 0.341 1.00 0.00 N ATOM 481 CA PHE A 30 -13.091 5.473 0.447 1.00 0.00 C ATOM 482 C PHE A 30 -13.036 6.424 -0.751 1.00 0.00 C ATOM 483 O PHE A 30 -13.209 6.025 -1.886 1.00 0.00 O ATOM 484 CB PHE A 30 -11.817 4.623 0.485 1.00 0.00 C ATOM 485 CG PHE A 30 -11.726 3.914 1.805 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.496 4.649 2.966 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.860 2.520 1.868 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.392 3.997 4.195 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.761 1.865 3.102 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.524 2.605 4.265 1.00 0.00 C ATOM 0 H PHE A 30 -14.535 4.298 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.165 6.057 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.827 3.898 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.941 5.255 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.398 5.723 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.039 1.952 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.209 4.567 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.867 0.792 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.443 2.102 5.217 1.00 0.00 H new ATOM 500 N ASN A 31 -12.794 7.683 -0.500 1.00 0.00 N ATOM 501 CA ASN A 31 -12.723 8.673 -1.611 1.00 0.00 C ATOM 502 C ASN A 31 -11.671 9.735 -1.278 1.00 0.00 C ATOM 503 O ASN A 31 -11.948 10.918 -1.270 1.00 0.00 O ATOM 504 CB ASN A 31 -14.089 9.341 -1.787 1.00 0.00 C ATOM 505 CG ASN A 31 -14.215 9.880 -3.213 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.994 9.082 -4.220 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -14.517 11.040 -3.412 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.642 8.069 0.432 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.447 8.166 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.885 8.624 -1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.204 10.153 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.690 11.664 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.598 11.389 -4.367 1.00 0.00 H new ATOM 514 N ASN A 32 -10.465 9.318 -1.007 1.00 0.00 N ATOM 515 CA ASN A 32 -9.385 10.293 -0.676 1.00 0.00 C ATOM 516 C ASN A 32 -8.035 9.599 -0.845 1.00 0.00 C ATOM 517 O ASN A 32 -7.583 8.872 0.021 1.00 0.00 O ATOM 518 CB ASN A 32 -9.544 10.765 0.772 1.00 0.00 C ATOM 519 CG ASN A 32 -8.402 11.721 1.123 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.593 12.055 0.281 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.302 12.177 2.342 1.00 0.00 N ATOM 0 H ASN A 32 -10.179 8.339 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.446 11.157 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.504 11.265 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.538 9.910 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.544 12.814 2.588 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.982 11.896 3.049 1.00 0.00 H new ATOM 528 N VAL A 33 -7.393 9.795 -1.963 1.00 0.00 N ATOM 529 CA VAL A 33 -6.087 9.121 -2.190 1.00 0.00 C ATOM 530 C VAL A 33 -5.198 9.972 -3.095 1.00 0.00 C ATOM 531 O VAL A 33 -5.677 10.703 -3.939 1.00 0.00 O ATOM 532 CB VAL A 33 -6.351 7.779 -2.872 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.460 7.954 -3.908 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.080 7.285 -3.573 1.00 0.00 C ATOM 0 H VAL A 33 -7.716 10.390 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.581 8.978 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.652 7.048 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.653 7.000 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.368 8.299 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.151 8.688 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.279 6.328 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.772 8.013 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.284 7.162 -2.839 1.00 0.00 H new ATOM 544 N GLU A 34 -3.904 9.842 -2.947 1.00 0.00 N ATOM 545 CA GLU A 34 -2.961 10.593 -3.818 1.00 0.00 C ATOM 546 C GLU A 34 -2.236 9.571 -4.682 1.00 0.00 C ATOM 547 O GLU A 34 -2.607 8.415 -4.704 1.00 0.00 O ATOM 548 CB GLU A 34 -1.963 11.379 -2.967 1.00 0.00 C ATOM 549 CG GLU A 34 -2.540 12.767 -2.664 1.00 0.00 C ATOM 550 CD GLU A 34 -2.535 13.617 -3.936 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.482 13.734 -4.543 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.583 14.136 -4.284 1.00 0.00 O ATOM 0 H GLU A 34 -3.460 9.241 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.497 11.310 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.760 10.846 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.014 11.474 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.556 12.673 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.951 13.254 -1.887 1.00 0.00 H new ATOM 559 N GLU A 35 -1.228 9.966 -5.403 1.00 0.00 N ATOM 560 CA GLU A 35 -0.531 8.977 -6.274 1.00 0.00 C ATOM 561 C GLU A 35 0.945 9.338 -6.440 1.00 0.00 C ATOM 562 O GLU A 35 1.329 10.489 -6.399 1.00 0.00 O ATOM 563 CB GLU A 35 -1.211 8.973 -7.646 1.00 0.00 C ATOM 564 CG GLU A 35 -0.765 7.749 -8.449 1.00 0.00 C ATOM 565 CD GLU A 35 -0.361 8.189 -9.857 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.057 9.021 -10.418 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.635 7.688 -10.351 1.00 0.00 O ATOM 0 H GLU A 35 -0.858 10.916 -5.430 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.590 7.991 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.294 8.963 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.960 9.885 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.074 7.260 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.573 7.020 -8.501 1.00 0.00 H new ATOM 574 N ALA A 36 1.769 8.343 -6.645 1.00 0.00 N ATOM 575 CA ALA A 36 3.227 8.587 -6.838 1.00 0.00 C ATOM 576 C ALA A 36 3.724 7.700 -7.984 1.00 0.00 C ATOM 577 O ALA A 36 2.942 7.077 -8.675 1.00 0.00 O ATOM 578 CB ALA A 36 3.979 8.242 -5.552 1.00 0.00 C ATOM 0 H ALA A 36 1.490 7.363 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 36 3.402 9.636 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.045 8.421 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.612 8.866 -4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.817 7.193 -5.306 1.00 0.00 H new ATOM 584 N GLU A 37 5.012 7.639 -8.198 1.00 0.00 N ATOM 585 CA GLU A 37 5.542 6.791 -9.309 1.00 0.00 C ATOM 586 C GLU A 37 6.869 6.151 -8.893 1.00 0.00 C ATOM 587 O GLU A 37 7.570 5.581 -9.704 1.00 0.00 O ATOM 588 CB GLU A 37 5.762 7.657 -10.551 1.00 0.00 C ATOM 589 CG GLU A 37 4.546 8.559 -10.769 1.00 0.00 C ATOM 590 CD GLU A 37 4.663 9.256 -12.126 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.402 8.762 -12.961 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.013 10.273 -12.305 1.00 0.00 O ATOM 0 H GLU A 37 5.718 8.137 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 37 4.821 6.005 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.660 8.263 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.920 7.024 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.631 7.969 -10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.482 9.300 -9.972 1.00 0.00 H new ATOM 599 N ASP A 38 7.216 6.238 -7.638 1.00 0.00 N ATOM 600 CA ASP A 38 8.496 5.631 -7.167 1.00 0.00 C ATOM 601 C ASP A 38 8.768 6.118 -5.746 1.00 0.00 C ATOM 602 O ASP A 38 8.174 7.073 -5.289 1.00 0.00 O ATOM 603 CB ASP A 38 9.649 6.049 -8.086 1.00 0.00 C ATOM 604 CG ASP A 38 10.955 6.085 -7.289 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.316 5.061 -6.734 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.575 7.135 -7.253 1.00 0.00 O ATOM 0 H ASP A 38 6.667 6.704 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 38 8.416 4.544 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.737 5.349 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.447 7.030 -8.516 1.00 0.00 H new ATOM 611 N GLY A 39 9.646 5.471 -5.035 1.00 0.00 N ATOM 612 CA GLY A 39 9.924 5.912 -3.641 1.00 0.00 C ATOM 613 C GLY A 39 10.323 7.384 -3.631 1.00 0.00 C ATOM 614 O GLY A 39 9.951 8.124 -2.743 1.00 0.00 O ATOM 0 H GLY A 39 10.180 4.663 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.041 5.762 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.723 5.307 -3.212 1.00 0.00 H new ATOM 618 N VAL A 40 11.059 7.830 -4.605 1.00 0.00 N ATOM 619 CA VAL A 40 11.439 9.267 -4.619 1.00 0.00 C ATOM 620 C VAL A 40 10.157 10.093 -4.535 1.00 0.00 C ATOM 621 O VAL A 40 10.101 11.121 -3.885 1.00 0.00 O ATOM 622 CB VAL A 40 12.183 9.603 -5.914 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.600 11.075 -5.893 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.433 8.724 -6.037 1.00 0.00 C ATOM 0 H VAL A 40 11.411 7.272 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 40 12.095 9.489 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 40 11.526 9.418 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.130 11.316 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.713 11.703 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.254 11.256 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.959 8.967 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.090 8.905 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.140 7.674 -6.052 1.00 0.00 H new ATOM 634 N ASP A 41 9.120 9.637 -5.185 1.00 0.00 N ATOM 635 CA ASP A 41 7.829 10.373 -5.155 1.00 0.00 C ATOM 636 C ASP A 41 7.083 10.049 -3.859 1.00 0.00 C ATOM 637 O ASP A 41 6.722 10.931 -3.107 1.00 0.00 O ATOM 638 CB ASP A 41 6.979 9.947 -6.351 1.00 0.00 C ATOM 639 CG ASP A 41 5.873 10.976 -6.589 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.364 11.505 -5.615 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.554 11.218 -7.742 1.00 0.00 O ATOM 0 H ASP A 41 9.115 8.780 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 41 8.020 11.445 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.603 9.858 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.542 8.965 -6.168 1.00 0.00 H new ATOM 646 N ALA A 42 6.849 8.793 -3.590 1.00 0.00 N ATOM 647 CA ALA A 42 6.127 8.428 -2.344 1.00 0.00 C ATOM 648 C ALA A 42 6.807 9.099 -1.152 1.00 0.00 C ATOM 649 O ALA A 42 6.182 9.790 -0.382 1.00 0.00 O ATOM 650 CB ALA A 42 6.161 6.912 -2.168 1.00 0.00 C ATOM 0 H ALA A 42 7.127 8.008 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 42 5.091 8.763 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.632 6.640 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.679 6.436 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.196 6.577 -2.102 1.00 0.00 H new ATOM 656 N LEU A 43 8.085 8.897 -0.997 1.00 0.00 N ATOM 657 CA LEU A 43 8.812 9.522 0.145 1.00 0.00 C ATOM 658 C LEU A 43 8.545 11.031 0.167 1.00 0.00 C ATOM 659 O LEU A 43 8.063 11.570 1.143 1.00 0.00 O ATOM 660 CB LEU A 43 10.316 9.270 -0.021 1.00 0.00 C ATOM 661 CG LEU A 43 11.045 9.507 1.310 1.00 0.00 C ATOM 662 CD1 LEU A 43 12.505 9.071 1.170 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.998 10.992 1.689 1.00 0.00 C ATOM 0 H LEU A 43 8.661 8.324 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 43 8.465 9.085 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.485 8.248 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.720 9.931 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 43 10.552 8.926 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.026 9.237 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.546 8.012 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.984 9.652 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.519 11.143 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.481 11.582 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.960 11.309 1.792 1.00 0.00 H new ATOM 675 N ASN A 44 8.871 11.718 -0.894 1.00 0.00 N ATOM 676 CA ASN A 44 8.656 13.193 -0.923 1.00 0.00 C ATOM 677 C ASN A 44 7.188 13.538 -0.648 1.00 0.00 C ATOM 678 O ASN A 44 6.886 14.550 -0.046 1.00 0.00 O ATOM 679 CB ASN A 44 9.053 13.734 -2.299 1.00 0.00 C ATOM 680 CG ASN A 44 10.533 14.121 -2.287 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.905 15.125 -1.713 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.399 13.361 -2.900 1.00 0.00 N ATOM 0 H ASN A 44 9.277 11.322 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 44 9.271 13.649 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.869 12.980 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.442 14.600 -2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.388 13.610 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.087 12.518 -3.382 1.00 0.00 H new ATOM 689 N LYS A 45 6.271 12.725 -1.093 1.00 0.00 N ATOM 690 CA LYS A 45 4.828 13.036 -0.864 1.00 0.00 C ATOM 691 C LYS A 45 4.342 12.426 0.456 1.00 0.00 C ATOM 692 O LYS A 45 3.318 12.814 0.979 1.00 0.00 O ATOM 693 CB LYS A 45 3.994 12.472 -2.017 1.00 0.00 C ATOM 694 CG LYS A 45 3.341 13.623 -2.783 1.00 0.00 C ATOM 695 CD LYS A 45 2.494 13.062 -3.927 1.00 0.00 C ATOM 696 CE LYS A 45 2.344 14.121 -5.021 1.00 0.00 C ATOM 697 NZ LYS A 45 2.175 15.462 -4.394 1.00 0.00 N ATOM 0 H LYS A 45 6.455 11.861 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 45 4.712 14.119 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.626 11.888 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.230 11.797 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.718 14.213 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.106 14.291 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.963 12.167 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.513 12.767 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.221 14.118 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.484 13.891 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.698 16.100 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.601 15.372 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.108 15.851 -4.150 1.00 0.00 H new ATOM 711 N LEU A 46 5.057 11.481 0.998 1.00 0.00 N ATOM 712 CA LEU A 46 4.612 10.860 2.281 1.00 0.00 C ATOM 713 C LEU A 46 4.531 11.942 3.357 1.00 0.00 C ATOM 714 O LEU A 46 3.752 11.851 4.286 1.00 0.00 O ATOM 715 CB LEU A 46 5.617 9.780 2.709 1.00 0.00 C ATOM 716 CG LEU A 46 4.927 8.413 2.876 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.865 8.481 3.976 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.257 7.988 1.566 1.00 0.00 C ATOM 0 H LEU A 46 5.926 11.112 0.613 1.00 0.00 H new ATOM 0 HA LEU A 46 3.632 10.401 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.410 9.702 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.088 10.070 3.648 1.00 0.00 H new ATOM 0 HG LEU A 46 5.689 7.683 3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.387 7.507 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.336 8.758 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.115 9.227 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.774 7.020 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.510 8.729 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.009 7.912 0.781 1.00 0.00 H new ATOM 730 N GLN A 47 5.324 12.971 3.239 1.00 0.00 N ATOM 731 CA GLN A 47 5.283 14.059 4.255 1.00 0.00 C ATOM 732 C GLN A 47 4.000 14.870 4.071 1.00 0.00 C ATOM 733 O GLN A 47 3.767 15.846 4.757 1.00 0.00 O ATOM 734 CB GLN A 47 6.497 14.973 4.075 1.00 0.00 C ATOM 735 CG GLN A 47 6.395 16.151 5.046 1.00 0.00 C ATOM 736 CD GLN A 47 7.800 16.629 5.420 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.139 16.704 6.584 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.637 16.957 4.474 1.00 0.00 N ATOM 0 H GLN A 47 5.997 13.105 2.484 1.00 0.00 H new ATOM 0 HA GLN A 47 5.303 13.627 5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.416 14.416 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.543 15.337 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.832 16.965 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.851 15.851 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.352 16.894 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.576 17.276 4.712 1.00 0.00 H new ATOM 747 N ALA A 48 3.167 14.473 3.146 1.00 0.00 N ATOM 748 CA ALA A 48 1.899 15.216 2.909 1.00 0.00 C ATOM 749 C ALA A 48 1.225 15.523 4.248 1.00 0.00 C ATOM 750 O ALA A 48 1.250 16.640 4.723 1.00 0.00 O ATOM 751 CB ALA A 48 0.960 14.365 2.054 1.00 0.00 C ATOM 0 H ALA A 48 3.312 13.663 2.543 1.00 0.00 H new ATOM 0 HA ALA A 48 2.120 16.149 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.032 14.910 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.436 14.146 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.742 13.431 2.573 1.00 0.00 H new ATOM 757 N GLY A 49 0.622 14.539 4.860 1.00 0.00 N ATOM 758 CA GLY A 49 -0.052 14.778 6.168 1.00 0.00 C ATOM 759 C GLY A 49 0.064 13.529 7.041 1.00 0.00 C ATOM 760 O GLY A 49 0.196 13.612 8.246 1.00 0.00 O ATOM 0 H GLY A 49 0.567 13.582 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.403 15.630 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.101 15.026 6.008 1.00 0.00 H new ATOM 764 N GLY A 50 0.014 12.371 6.442 1.00 0.00 N ATOM 765 CA GLY A 50 0.119 11.112 7.233 1.00 0.00 C ATOM 766 C GLY A 50 -0.797 10.057 6.620 1.00 0.00 C ATOM 767 O GLY A 50 -1.788 9.661 7.202 1.00 0.00 O ATOM 0 H GLY A 50 -0.095 12.242 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.150 10.757 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.161 11.296 8.270 1.00 0.00 H new ATOM 771 N TYR A 51 -0.475 9.601 5.445 1.00 0.00 N ATOM 772 CA TYR A 51 -1.320 8.576 4.784 1.00 0.00 C ATOM 773 C TYR A 51 -1.596 7.437 5.755 1.00 0.00 C ATOM 774 O TYR A 51 -0.774 6.567 5.962 1.00 0.00 O ATOM 775 CB TYR A 51 -0.587 8.041 3.559 1.00 0.00 C ATOM 776 CG TYR A 51 -0.599 9.095 2.488 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.740 9.291 1.701 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.533 9.885 2.292 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.740 10.283 0.713 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.533 10.874 1.310 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.600 11.076 0.519 1.00 0.00 C ATOM 782 OH TYR A 51 -0.593 12.057 -0.447 1.00 0.00 O ATOM 0 H TYR A 51 0.343 9.897 4.912 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.267 9.021 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.439 7.778 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.068 7.132 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.617 8.679 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.411 9.730 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.617 10.437 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.411 11.485 1.161 1.00 0.00 H new ATOM 0 HH TYR A 51 0.275 12.512 -0.445 1.00 0.00 H new ATOM 792 N GLY A 52 -2.755 7.427 6.347 1.00 0.00 N ATOM 793 CA GLY A 52 -3.090 6.339 7.298 1.00 0.00 C ATOM 794 C GLY A 52 -2.916 4.995 6.596 1.00 0.00 C ATOM 795 O GLY A 52 -3.049 3.948 7.195 1.00 0.00 O ATOM 0 H GLY A 52 -3.485 8.127 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.444 6.393 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.115 6.450 7.651 1.00 0.00 H new ATOM 799 N PHE A 53 -2.651 5.018 5.316 1.00 0.00 N ATOM 800 CA PHE A 53 -2.506 3.737 4.571 1.00 0.00 C ATOM 801 C PHE A 53 -1.751 3.983 3.253 1.00 0.00 C ATOM 802 O PHE A 53 -1.896 5.017 2.625 1.00 0.00 O ATOM 803 CB PHE A 53 -3.914 3.238 4.285 1.00 0.00 C ATOM 804 CG PHE A 53 -3.967 1.737 4.199 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.431 1.087 3.095 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.605 0.999 5.202 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.528 -0.295 2.982 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.698 -0.386 5.095 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.163 -1.038 3.981 1.00 0.00 C ATOM 0 H PHE A 53 -2.530 5.864 4.759 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.942 3.004 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.588 3.581 5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.269 3.669 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.937 1.657 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.025 1.504 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.112 -0.796 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.184 -0.956 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.240 -2.112 3.892 1.00 0.00 H new ATOM 819 N VAL A 54 -0.941 3.045 2.829 1.00 0.00 N ATOM 820 CA VAL A 54 -0.178 3.235 1.555 1.00 0.00 C ATOM 821 C VAL A 54 -0.213 1.947 0.725 1.00 0.00 C ATOM 822 O VAL A 54 0.228 0.901 1.158 1.00 0.00 O ATOM 823 CB VAL A 54 1.275 3.592 1.881 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.060 3.780 0.582 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.316 4.891 2.691 1.00 0.00 C ATOM 0 H VAL A 54 -0.775 2.159 3.307 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.635 4.041 0.981 1.00 0.00 H new ATOM 0 HB VAL A 54 1.721 2.786 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.094 4.034 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.035 2.856 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.611 4.584 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.351 5.143 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.867 5.697 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.759 4.759 3.619 1.00 0.00 H new ATOM 835 N ILE A 55 -0.731 2.028 -0.474 1.00 0.00 N ATOM 836 CA ILE A 55 -0.797 0.827 -1.357 1.00 0.00 C ATOM 837 C ILE A 55 0.289 0.936 -2.435 1.00 0.00 C ATOM 838 O ILE A 55 0.113 1.594 -3.442 1.00 0.00 O ATOM 839 CB ILE A 55 -2.171 0.770 -2.028 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.254 0.608 -0.959 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.226 -0.419 -2.989 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.624 0.908 -1.571 1.00 0.00 C ATOM 0 H ILE A 55 -1.114 2.881 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.640 -0.075 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.339 1.693 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.237 -0.406 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.061 1.283 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.206 -0.457 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.456 -0.306 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.056 -1.342 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.396 0.793 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.637 1.930 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.816 0.215 -2.390 1.00 0.00 H new ATOM 854 N SER A 56 1.410 0.297 -2.231 1.00 0.00 N ATOM 855 CA SER A 56 2.503 0.363 -3.244 1.00 0.00 C ATOM 856 C SER A 56 2.468 -0.903 -4.102 1.00 0.00 C ATOM 857 O SER A 56 1.601 -1.741 -3.946 1.00 0.00 O ATOM 858 CB SER A 56 3.854 0.469 -2.536 1.00 0.00 C ATOM 859 OG SER A 56 3.987 -0.604 -1.615 1.00 0.00 O ATOM 0 H SER A 56 1.616 -0.268 -1.407 1.00 0.00 H new ATOM 0 HA SER A 56 2.363 1.238 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.663 0.439 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.930 1.423 -2.014 1.00 0.00 H new ATOM 0 HG SER A 56 4.853 -0.540 -1.161 1.00 0.00 H new ATOM 865 N ASP A 57 3.396 -1.046 -5.010 1.00 0.00 N ATOM 866 CA ASP A 57 3.410 -2.256 -5.883 1.00 0.00 C ATOM 867 C ASP A 57 4.853 -2.727 -6.089 1.00 0.00 C ATOM 868 O ASP A 57 5.291 -2.945 -7.200 1.00 0.00 O ATOM 869 CB ASP A 57 2.793 -1.901 -7.238 1.00 0.00 C ATOM 870 CG ASP A 57 2.554 -3.180 -8.043 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.510 -3.697 -8.596 1.00 0.00 O ATOM 872 OD2 ASP A 57 1.416 -3.620 -8.093 1.00 0.00 O ATOM 0 H ASP A 57 4.146 -0.377 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 57 2.836 -3.054 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.853 -1.369 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.456 -1.232 -7.787 1.00 0.00 H new ATOM 877 N TRP A 58 5.596 -2.885 -5.026 1.00 0.00 N ATOM 878 CA TRP A 58 7.009 -3.340 -5.163 1.00 0.00 C ATOM 879 C TRP A 58 7.699 -2.519 -6.255 1.00 0.00 C ATOM 880 O TRP A 58 7.888 -2.969 -7.368 1.00 0.00 O ATOM 881 CB TRP A 58 7.036 -4.829 -5.527 1.00 0.00 C ATOM 882 CG TRP A 58 8.343 -5.426 -5.110 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.240 -5.997 -5.947 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.913 -5.525 -3.771 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.324 -6.438 -5.208 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.169 -6.170 -3.862 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.466 -5.122 -2.500 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.955 -6.406 -2.731 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.254 -5.358 -1.360 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.495 -5.998 -1.476 1.00 0.00 C ATOM 0 H TRP A 58 5.285 -2.718 -4.069 1.00 0.00 H new ATOM 0 HA TRP A 58 7.536 -3.198 -4.219 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.214 -5.349 -5.035 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.894 -4.954 -6.601 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.128 -6.093 -7.017 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.138 -6.904 -5.609 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.511 -4.628 -2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.911 -6.900 -2.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.901 -5.044 -0.389 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.096 -6.176 -0.596 1.00 0.00 H new ATOM 901 N ASN A 59 8.074 -1.310 -5.941 1.00 0.00 N ATOM 902 CA ASN A 59 8.746 -0.446 -6.951 1.00 0.00 C ATOM 903 C ASN A 59 9.870 -1.225 -7.635 1.00 0.00 C ATOM 904 O ASN A 59 10.580 -1.988 -7.010 1.00 0.00 O ATOM 905 CB ASN A 59 9.324 0.788 -6.257 1.00 0.00 C ATOM 906 CG ASN A 59 8.208 1.805 -6.012 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.637 2.334 -6.945 1.00 0.00 O ATOM 908 ND2 ASN A 59 7.869 2.103 -4.786 1.00 0.00 N ATOM 0 H ASN A 59 7.943 -0.882 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 59 8.020 -0.136 -7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.786 0.504 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.106 1.232 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.125 2.779 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.348 1.659 -4.002 1.00 0.00 H new ATOM 915 N MET A 60 10.034 -1.032 -8.918 1.00 0.00 N ATOM 916 CA MET A 60 11.106 -1.751 -9.666 1.00 0.00 C ATOM 917 C MET A 60 12.341 -0.853 -9.904 1.00 0.00 C ATOM 918 O MET A 60 13.448 -1.353 -9.879 1.00 0.00 O ATOM 919 CB MET A 60 10.558 -2.221 -11.018 1.00 0.00 C ATOM 920 CG MET A 60 11.260 -3.518 -11.433 1.00 0.00 C ATOM 921 SD MET A 60 11.282 -3.638 -13.238 1.00 0.00 S ATOM 922 CE MET A 60 10.491 -5.261 -13.370 1.00 0.00 C ATOM 0 H MET A 60 9.466 -0.401 -9.484 1.00 0.00 H new ATOM 0 HA MET A 60 11.418 -2.604 -9.063 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.482 -2.383 -10.949 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.717 -1.452 -11.774 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.278 -3.534 -11.044 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.742 -4.377 -11.007 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.402 -5.538 -14.420 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.095 -6.004 -12.849 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.499 -5.220 -12.920 1.00 0.00 H new ATOM 932 N PRO A 61 12.151 0.434 -10.156 1.00 0.00 N ATOM 933 CA PRO A 61 13.294 1.330 -10.424 1.00 0.00 C ATOM 934 C PRO A 61 14.181 1.464 -9.181 1.00 0.00 C ATOM 935 O PRO A 61 13.733 1.859 -8.124 1.00 0.00 O ATOM 936 CB PRO A 61 12.664 2.680 -10.794 1.00 0.00 C ATOM 937 CG PRO A 61 11.126 2.514 -10.735 1.00 0.00 C ATOM 938 CD PRO A 61 10.832 1.106 -10.199 1.00 0.00 C ATOM 0 HA PRO A 61 13.935 0.949 -11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.992 3.457 -10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.977 2.988 -11.792 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.684 3.271 -10.087 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.688 2.646 -11.724 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.376 1.147 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.137 0.573 -10.848 1.00 0.00 H new ATOM 946 N ASN A 62 15.439 1.137 -9.309 1.00 0.00 N ATOM 947 CA ASN A 62 16.364 1.244 -8.146 1.00 0.00 C ATOM 948 C ASN A 62 15.725 0.590 -6.920 1.00 0.00 C ATOM 949 O ASN A 62 15.606 1.198 -5.877 1.00 0.00 O ATOM 950 CB ASN A 62 16.643 2.719 -7.852 1.00 0.00 C ATOM 951 CG ASN A 62 16.694 3.501 -9.164 1.00 0.00 C ATOM 952 OD1 ASN A 62 17.681 3.459 -9.873 1.00 0.00 O ATOM 953 ND2 ASN A 62 15.665 4.220 -9.523 1.00 0.00 N ATOM 0 H ASN A 62 15.866 0.800 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 62 17.300 0.736 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.866 3.125 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.588 2.822 -7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.690 4.745 -10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.836 4.256 -8.929 1.00 0.00 H new ATOM 960 N MET A 63 15.312 -0.644 -7.042 1.00 0.00 N ATOM 961 CA MET A 63 14.677 -1.343 -5.886 1.00 0.00 C ATOM 962 C MET A 63 13.520 -0.496 -5.350 1.00 0.00 C ATOM 963 O MET A 63 12.378 -0.690 -5.716 1.00 0.00 O ATOM 964 CB MET A 63 15.714 -1.557 -4.779 1.00 0.00 C ATOM 965 CG MET A 63 16.866 -2.406 -5.317 1.00 0.00 C ATOM 966 SD MET A 63 17.238 -3.732 -4.141 1.00 0.00 S ATOM 967 CE MET A 63 15.790 -4.760 -4.493 1.00 0.00 C ATOM 0 H MET A 63 15.387 -1.199 -7.894 1.00 0.00 H new ATOM 0 HA MET A 63 14.297 -2.311 -6.213 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.090 -0.596 -4.427 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.252 -2.051 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A 63 16.599 -2.829 -6.286 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.748 -1.785 -5.472 1.00 0.00 H new ATOM 0 HE1 MET A 63 15.006 -4.544 -3.768 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.425 -4.543 -5.497 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.066 -5.812 -4.427 1.00 0.00 H new ATOM 977 N ASP A 64 13.806 0.442 -4.489 1.00 0.00 N ATOM 978 CA ASP A 64 12.724 1.301 -3.934 1.00 0.00 C ATOM 979 C ASP A 64 11.634 0.419 -3.325 1.00 0.00 C ATOM 980 O ASP A 64 11.716 -0.792 -3.347 1.00 0.00 O ATOM 981 CB ASP A 64 12.126 2.166 -5.049 1.00 0.00 C ATOM 982 CG ASP A 64 12.894 3.487 -5.137 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.995 3.476 -5.661 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.367 4.487 -4.679 1.00 0.00 O ATOM 0 H ASP A 64 14.744 0.650 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 64 13.138 1.949 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.179 1.638 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.072 2.358 -4.849 1.00 0.00 H new ATOM 989 N GLY A 65 10.619 1.022 -2.771 1.00 0.00 N ATOM 990 CA GLY A 65 9.526 0.229 -2.140 1.00 0.00 C ATOM 991 C GLY A 65 10.009 -0.301 -0.790 1.00 0.00 C ATOM 992 O GLY A 65 9.326 -0.192 0.209 1.00 0.00 O ATOM 0 H GLY A 65 10.499 2.034 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.640 0.850 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.239 -0.599 -2.788 1.00 0.00 H new ATOM 996 N LEU A 66 11.191 -0.855 -0.740 1.00 0.00 N ATOM 997 CA LEU A 66 11.717 -1.362 0.557 1.00 0.00 C ATOM 998 C LEU A 66 12.112 -0.158 1.410 1.00 0.00 C ATOM 999 O LEU A 66 11.464 0.160 2.390 1.00 0.00 O ATOM 1000 CB LEU A 66 12.939 -2.250 0.314 1.00 0.00 C ATOM 1001 CG LEU A 66 12.589 -3.701 0.654 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.732 -4.618 0.217 1.00 0.00 C ATOM 1003 CD2 LEU A 66 12.377 -3.836 2.164 1.00 0.00 C ATOM 0 H LEU A 66 11.812 -0.977 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 66 10.957 -1.954 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.256 -2.175 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.775 -1.913 0.927 1.00 0.00 H new ATOM 0 HG LEU A 66 11.675 -3.985 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.483 -5.651 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.883 -4.524 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.646 -4.334 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.128 -4.869 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.290 -3.551 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.562 -3.184 2.477 1.00 0.00 H new ATOM 1015 N GLU A 67 13.150 0.538 1.028 1.00 0.00 N ATOM 1016 CA GLU A 67 13.551 1.742 1.802 1.00 0.00 C ATOM 1017 C GLU A 67 12.331 2.657 1.887 1.00 0.00 C ATOM 1018 O GLU A 67 12.208 3.485 2.767 1.00 0.00 O ATOM 1019 CB GLU A 67 14.690 2.464 1.077 1.00 0.00 C ATOM 1020 CG GLU A 67 15.231 3.585 1.966 1.00 0.00 C ATOM 1021 CD GLU A 67 16.636 3.220 2.450 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.518 3.106 1.615 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.805 3.062 3.648 1.00 0.00 O ATOM 0 H GLU A 67 13.732 0.324 0.218 1.00 0.00 H new ATOM 0 HA GLU A 67 13.896 1.465 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.486 1.760 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.332 2.875 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.258 4.523 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.570 3.739 2.819 1.00 0.00 H new ATOM 1030 N LEU A 68 11.421 2.479 0.971 1.00 0.00 N ATOM 1031 CA LEU A 68 10.174 3.290 0.957 1.00 0.00 C ATOM 1032 C LEU A 68 9.397 2.990 2.235 1.00 0.00 C ATOM 1033 O LEU A 68 9.038 3.874 2.984 1.00 0.00 O ATOM 1034 CB LEU A 68 9.351 2.863 -0.263 1.00 0.00 C ATOM 1035 CG LEU A 68 8.552 4.036 -0.835 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.919 3.607 -2.164 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.441 4.450 0.130 1.00 0.00 C ATOM 0 H LEU A 68 11.491 1.794 0.219 1.00 0.00 H new ATOM 0 HA LEU A 68 10.392 4.357 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.015 2.464 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.670 2.060 0.018 1.00 0.00 H new ATOM 0 HG LEU A 68 9.224 4.881 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.347 4.437 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.703 3.320 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.256 2.759 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.884 5.285 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.767 3.609 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.879 4.752 1.081 1.00 0.00 H new ATOM 1049 N LEU A 69 9.153 1.736 2.488 1.00 0.00 N ATOM 1050 CA LEU A 69 8.416 1.337 3.714 1.00 0.00 C ATOM 1051 C LEU A 69 9.163 1.853 4.935 1.00 0.00 C ATOM 1052 O LEU A 69 8.687 2.691 5.677 1.00 0.00 O ATOM 1053 CB LEU A 69 8.386 -0.185 3.779 1.00 0.00 C ATOM 1054 CG LEU A 69 7.344 -0.725 2.805 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.518 -2.232 2.646 1.00 0.00 C ATOM 1056 CD2 LEU A 69 5.947 -0.446 3.340 1.00 0.00 C ATOM 0 H LEU A 69 9.437 0.961 1.888 1.00 0.00 H new ATOM 0 HA LEU A 69 7.406 1.745 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.369 -0.588 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.152 -0.510 4.793 1.00 0.00 H new ATOM 0 HG LEU A 69 7.475 -0.234 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.771 -2.613 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.515 -2.444 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.392 -2.717 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.206 -0.833 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.824 -0.934 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.810 0.629 3.456 1.00 0.00 H new ATOM 1068 N LYS A 70 10.332 1.330 5.140 1.00 0.00 N ATOM 1069 CA LYS A 70 11.164 1.748 6.305 1.00 0.00 C ATOM 1070 C LYS A 70 11.082 3.267 6.482 1.00 0.00 C ATOM 1071 O LYS A 70 11.068 3.769 7.589 1.00 0.00 O ATOM 1072 CB LYS A 70 12.619 1.343 6.059 1.00 0.00 C ATOM 1073 CG LYS A 70 13.057 0.337 7.125 1.00 0.00 C ATOM 1074 CD LYS A 70 14.518 -0.051 6.890 1.00 0.00 C ATOM 1075 CE LYS A 70 14.782 -1.437 7.481 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.228 -1.567 7.817 1.00 0.00 N ATOM 0 H LYS A 70 10.757 0.620 4.544 1.00 0.00 H new ATOM 0 HA LYS A 70 10.794 1.260 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.723 0.905 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.262 2.223 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.940 0.770 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.423 -0.549 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.737 -0.052 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.179 0.684 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.175 -1.585 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.493 -2.209 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.408 -2.509 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.797 -1.444 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.490 -0.839 8.512 1.00 0.00 H new ATOM 1090 N THR A 71 11.023 4.006 5.405 1.00 0.00 N ATOM 1091 CA THR A 71 10.937 5.488 5.533 1.00 0.00 C ATOM 1092 C THR A 71 9.779 5.829 6.473 1.00 0.00 C ATOM 1093 O THR A 71 9.892 6.686 7.326 1.00 0.00 O ATOM 1094 CB THR A 71 10.745 6.119 4.138 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.770 7.077 3.921 1.00 0.00 O ATOM 1096 CG2 THR A 71 9.379 6.811 4.009 1.00 0.00 C ATOM 0 H THR A 71 11.031 3.649 4.449 1.00 0.00 H new ATOM 0 HA THR A 71 11.858 5.894 5.953 1.00 0.00 H new ATOM 0 HB THR A 71 10.792 5.322 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.971 7.129 2.963 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.282 7.243 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.585 6.081 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.299 7.601 4.756 1.00 0.00 H new ATOM 1104 N ILE A 72 8.670 5.150 6.342 1.00 0.00 N ATOM 1105 CA ILE A 72 7.524 5.427 7.248 1.00 0.00 C ATOM 1106 C ILE A 72 7.907 4.976 8.655 1.00 0.00 C ATOM 1107 O ILE A 72 7.604 5.627 9.635 1.00 0.00 O ATOM 1108 CB ILE A 72 6.294 4.639 6.786 1.00 0.00 C ATOM 1109 CG1 ILE A 72 5.800 5.175 5.437 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.183 4.784 7.824 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.048 4.125 4.354 1.00 0.00 C ATOM 0 H ILE A 72 8.511 4.419 5.649 1.00 0.00 H new ATOM 0 HA ILE A 72 7.290 6.492 7.236 1.00 0.00 H new ATOM 0 HB ILE A 72 6.564 3.589 6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.737 5.411 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.320 6.100 5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.306 4.225 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.527 4.394 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.922 5.837 7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.698 4.503 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.115 3.911 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.508 3.211 4.603 1.00 0.00 H new ATOM 1123 N ARG A 73 8.580 3.862 8.758 1.00 0.00 N ATOM 1124 CA ARG A 73 8.995 3.360 10.097 1.00 0.00 C ATOM 1125 C ARG A 73 9.985 4.347 10.723 1.00 0.00 C ATOM 1126 O ARG A 73 10.143 4.407 11.926 1.00 0.00 O ATOM 1127 CB ARG A 73 9.665 1.992 9.941 1.00 0.00 C ATOM 1128 CG ARG A 73 9.275 1.086 11.112 1.00 0.00 C ATOM 1129 CD ARG A 73 9.751 1.712 12.424 1.00 0.00 C ATOM 1130 NE ARG A 73 9.833 0.660 13.477 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.903 0.558 14.216 1.00 0.00 C ATOM 1132 NH1 ARG A 73 11.406 1.619 14.786 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.471 -0.604 14.385 1.00 0.00 N ATOM 0 H ARG A 73 8.860 3.278 7.970 1.00 0.00 H new ATOM 0 HA ARG A 73 8.120 3.264 10.740 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.363 1.534 8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.748 2.109 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.194 0.948 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.720 0.099 10.986 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.726 2.178 12.284 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.063 2.499 12.734 1.00 0.00 H new ATOM 0 HE ARG A 73 9.052 0.020 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.962 2.528 14.654 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.243 1.539 15.364 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.078 -1.433 13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.308 -0.683 14.963 1.00 0.00 H new ATOM 1147 N ALA A 74 10.654 5.119 9.911 1.00 0.00 N ATOM 1148 CA ALA A 74 11.635 6.102 10.453 1.00 0.00 C ATOM 1149 C ALA A 74 10.940 7.019 11.461 1.00 0.00 C ATOM 1150 O ALA A 74 11.560 7.545 12.364 1.00 0.00 O ATOM 1151 CB ALA A 74 12.196 6.943 9.305 1.00 0.00 C ATOM 0 H ALA A 74 10.564 5.112 8.895 1.00 0.00 H new ATOM 0 HA ALA A 74 12.447 5.569 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.914 7.663 9.698 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.692 6.292 8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.382 7.475 8.812 1.00 0.00 H new ATOM 1157 N ASP A 75 9.659 7.218 11.310 1.00 0.00 N ATOM 1158 CA ASP A 75 8.921 8.104 12.257 1.00 0.00 C ATOM 1159 C ASP A 75 9.322 7.767 13.695 1.00 0.00 C ATOM 1160 O ASP A 75 9.422 8.634 14.540 1.00 0.00 O ATOM 1161 CB ASP A 75 7.415 7.894 12.084 1.00 0.00 C ATOM 1162 CG ASP A 75 6.674 9.174 12.473 1.00 0.00 C ATOM 1163 OD1 ASP A 75 6.521 9.409 13.660 1.00 0.00 O ATOM 1164 OD2 ASP A 75 6.270 9.897 11.577 1.00 0.00 O ATOM 0 H ASP A 75 9.090 6.805 10.571 1.00 0.00 H new ATOM 0 HA ASP A 75 9.170 9.144 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.190 7.631 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.079 7.064 12.705 1.00 0.00 H new ATOM 1169 N GLY A 76 9.554 6.515 13.979 1.00 0.00 N ATOM 1170 CA GLY A 76 9.949 6.126 15.362 1.00 0.00 C ATOM 1171 C GLY A 76 8.805 6.435 16.330 1.00 0.00 C ATOM 1172 O GLY A 76 9.024 6.773 17.477 1.00 0.00 O ATOM 0 H GLY A 76 9.487 5.745 13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.191 5.064 15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.847 6.667 15.660 1.00 0.00 H new ATOM 1176 N ALA A 77 7.586 6.321 15.879 1.00 0.00 N ATOM 1177 CA ALA A 77 6.429 6.608 16.773 1.00 0.00 C ATOM 1178 C ALA A 77 5.260 5.697 16.396 1.00 0.00 C ATOM 1179 O ALA A 77 4.724 4.984 17.220 1.00 0.00 O ATOM 1180 CB ALA A 77 6.009 8.070 16.612 1.00 0.00 C ATOM 0 H ALA A 77 7.341 6.041 14.929 1.00 0.00 H new ATOM 0 HA ALA A 77 6.715 6.426 17.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.163 8.280 17.266 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.843 8.720 16.878 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.722 8.254 15.577 1.00 0.00 H new ATOM 1186 N MET A 78 4.860 5.715 15.153 1.00 0.00 N ATOM 1187 CA MET A 78 3.727 4.850 14.722 1.00 0.00 C ATOM 1188 C MET A 78 4.268 3.499 14.262 1.00 0.00 C ATOM 1189 O MET A 78 4.036 2.480 14.883 1.00 0.00 O ATOM 1190 CB MET A 78 2.983 5.522 13.565 1.00 0.00 C ATOM 1191 CG MET A 78 1.628 6.036 14.058 1.00 0.00 C ATOM 1192 SD MET A 78 1.876 7.119 15.487 1.00 0.00 S ATOM 1193 CE MET A 78 1.972 8.679 14.577 1.00 0.00 C ATOM 0 H MET A 78 5.270 6.292 14.418 1.00 0.00 H new ATOM 0 HA MET A 78 3.042 4.704 15.557 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.575 6.347 13.169 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.840 4.813 12.750 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.121 6.579 13.260 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.987 5.198 14.331 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.126 9.500 15.277 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.805 8.640 13.875 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.043 8.839 14.030 1.00 0.00 H new ATOM 1203 N SER A 79 4.983 3.481 13.175 1.00 0.00 N ATOM 1204 CA SER A 79 5.538 2.194 12.671 1.00 0.00 C ATOM 1205 C SER A 79 4.394 1.206 12.443 1.00 0.00 C ATOM 1206 O SER A 79 4.611 0.058 12.110 1.00 0.00 O ATOM 1207 CB SER A 79 6.508 1.620 13.703 1.00 0.00 C ATOM 1208 OG SER A 79 7.275 2.676 14.263 1.00 0.00 O ATOM 0 H SER A 79 5.208 4.301 12.612 1.00 0.00 H new ATOM 0 HA SER A 79 6.066 2.365 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.957 1.100 14.487 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.165 0.887 13.234 1.00 0.00 H new ATOM 0 HG SER A 79 7.897 2.312 14.927 1.00 0.00 H new ATOM 1214 N ALA A 80 3.176 1.649 12.627 1.00 0.00 N ATOM 1215 CA ALA A 80 2.004 0.749 12.431 1.00 0.00 C ATOM 1216 C ALA A 80 1.284 1.117 11.131 1.00 0.00 C ATOM 1217 O ALA A 80 0.440 0.384 10.659 1.00 0.00 O ATOM 1218 CB ALA A 80 1.040 0.910 13.608 1.00 0.00 C ATOM 0 H ALA A 80 2.944 2.602 12.906 1.00 0.00 H new ATOM 0 HA ALA A 80 2.346 -0.284 12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.182 0.253 13.468 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.550 0.647 14.535 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.700 1.944 13.661 1.00 0.00 H new ATOM 1224 N LEU A 81 1.611 2.245 10.552 1.00 0.00 N ATOM 1225 CA LEU A 81 0.946 2.658 9.284 1.00 0.00 C ATOM 1226 C LEU A 81 0.890 1.441 8.329 1.00 0.00 C ATOM 1227 O LEU A 81 1.919 1.035 7.827 1.00 0.00 O ATOM 1228 CB LEU A 81 1.768 3.780 8.640 1.00 0.00 C ATOM 1229 CG LEU A 81 1.287 5.140 9.166 1.00 0.00 C ATOM 1230 CD1 LEU A 81 2.216 6.247 8.670 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.127 5.436 8.665 1.00 0.00 C ATOM 0 H LEU A 81 2.311 2.897 10.905 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.065 3.012 9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.826 3.645 8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.667 3.742 7.555 1.00 0.00 H new ATOM 0 HG LEU A 81 1.291 5.105 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.869 7.209 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.228 6.060 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.214 6.262 7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.453 6.403 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.130 5.456 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.807 4.660 9.015 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.284 0.856 8.117 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.397 -0.335 7.251 1.00 0.00 C ATOM 1245 C PRO A 82 -0.008 -0.054 5.799 1.00 0.00 C ATOM 1246 O PRO A 82 -0.209 1.023 5.270 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.876 -0.730 7.297 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.605 0.270 8.221 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.574 1.301 8.701 1.00 0.00 C ATOM 0 HA PRO A 82 0.278 -1.114 7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.308 -0.710 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.988 -1.747 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.417 0.762 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.050 -0.249 9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.834 2.305 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.524 1.332 9.789 1.00 0.00 H new ATOM 1257 N VAL A 83 0.495 -1.063 5.150 1.00 0.00 N ATOM 1258 CA VAL A 83 0.858 -0.956 3.714 1.00 0.00 C ATOM 1259 C VAL A 83 0.364 -2.215 3.049 1.00 0.00 C ATOM 1260 O VAL A 83 0.693 -3.303 3.480 1.00 0.00 O ATOM 1261 CB VAL A 83 2.374 -0.896 3.520 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.733 -1.447 2.126 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.858 0.549 3.628 1.00 0.00 C ATOM 0 H VAL A 83 0.673 -1.978 5.565 1.00 0.00 H new ATOM 0 HA VAL A 83 0.420 -0.049 3.297 1.00 0.00 H new ATOM 0 HB VAL A 83 2.856 -1.496 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.813 -1.405 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.396 -2.481 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.244 -0.845 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.939 0.582 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.374 1.153 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.607 0.944 4.612 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.397 -2.089 2.003 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.879 -3.306 1.318 1.00 0.00 C ATOM 1275 C LEU A 84 -0.254 -3.360 -0.067 1.00 0.00 C ATOM 1276 O LEU A 84 -0.896 -3.120 -1.070 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.412 -3.277 1.243 1.00 0.00 C ATOM 1278 CG LEU A 84 -3.021 -4.594 0.692 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.133 -5.823 0.943 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.373 -4.839 1.373 1.00 0.00 C ATOM 0 H LEU A 84 -0.702 -1.204 1.598 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.589 -4.201 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.815 -3.086 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.723 -2.447 0.609 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.120 -4.470 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.616 -6.710 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.167 -5.679 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.985 -5.952 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.810 -5.762 0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.228 -4.923 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.043 -4.006 1.161 1.00 0.00 H new ATOM 1292 N MET A 85 1.014 -3.662 -0.115 1.00 0.00 N ATOM 1293 CA MET A 85 1.720 -3.724 -1.416 1.00 0.00 C ATOM 1294 C MET A 85 0.877 -4.514 -2.417 1.00 0.00 C ATOM 1295 O MET A 85 -0.122 -5.111 -2.069 1.00 0.00 O ATOM 1296 CB MET A 85 3.075 -4.409 -1.227 1.00 0.00 C ATOM 1297 CG MET A 85 4.167 -3.346 -1.090 1.00 0.00 C ATOM 1298 SD MET A 85 5.690 -4.117 -0.492 1.00 0.00 S ATOM 1299 CE MET A 85 6.784 -2.705 -0.776 1.00 0.00 C ATOM 0 H MET A 85 1.592 -3.869 0.700 1.00 0.00 H new ATOM 0 HA MET A 85 1.876 -2.714 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.054 -5.042 -0.340 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.288 -5.058 -2.076 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.344 -2.865 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.846 -2.567 -0.399 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.804 -2.975 -0.504 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.751 -2.425 -1.829 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.457 -1.863 -0.166 1.00 0.00 H new ATOM 1309 N VAL A 86 1.267 -4.509 -3.658 1.00 0.00 N ATOM 1310 CA VAL A 86 0.486 -5.244 -4.690 1.00 0.00 C ATOM 1311 C VAL A 86 1.447 -5.824 -5.731 1.00 0.00 C ATOM 1312 O VAL A 86 2.243 -5.111 -6.305 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.467 -4.255 -5.359 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.410 -5.001 -6.295 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.280 -3.529 -4.283 1.00 0.00 C ATOM 0 H VAL A 86 2.096 -4.026 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.079 -6.058 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 86 0.108 -3.530 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.088 -4.292 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.830 -5.517 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.988 -5.729 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.961 -2.822 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.853 -4.256 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.605 -2.991 -3.618 1.00 0.00 H new ATOM 1325 N THR A 87 1.402 -7.109 -5.979 1.00 0.00 N ATOM 1326 CA THR A 87 2.348 -7.685 -6.983 1.00 0.00 C ATOM 1327 C THR A 87 1.722 -8.902 -7.666 1.00 0.00 C ATOM 1328 O THR A 87 0.946 -9.621 -7.081 1.00 0.00 O ATOM 1329 CB THR A 87 3.648 -8.081 -6.265 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.571 -7.005 -6.345 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.267 -9.324 -6.911 1.00 0.00 C ATOM 0 H THR A 87 0.765 -7.773 -5.540 1.00 0.00 H new ATOM 0 HA THR A 87 2.566 -6.943 -7.752 1.00 0.00 H new ATOM 0 HB THR A 87 3.418 -8.306 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.083 -6.155 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.186 -9.587 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.564 -10.155 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.492 -9.116 -7.957 1.00 0.00 H new ATOM 1339 N ALA A 88 2.062 -9.141 -8.904 1.00 0.00 N ATOM 1340 CA ALA A 88 1.493 -10.317 -9.621 1.00 0.00 C ATOM 1341 C ALA A 88 2.478 -11.486 -9.532 1.00 0.00 C ATOM 1342 O ALA A 88 2.095 -12.617 -9.307 1.00 0.00 O ATOM 1343 CB ALA A 88 1.262 -9.957 -11.090 1.00 0.00 C ATOM 0 H ALA A 88 2.709 -8.572 -9.449 1.00 0.00 H new ATOM 0 HA ALA A 88 0.545 -10.600 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.846 -10.817 -11.614 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.566 -9.121 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.210 -9.676 -11.549 1.00 0.00 H new ATOM 1349 N GLU A 89 3.746 -11.218 -9.704 1.00 0.00 N ATOM 1350 CA GLU A 89 4.760 -12.310 -9.630 1.00 0.00 C ATOM 1351 C GLU A 89 5.365 -12.350 -8.225 1.00 0.00 C ATOM 1352 O GLU A 89 6.568 -12.353 -8.057 1.00 0.00 O ATOM 1353 CB GLU A 89 5.869 -12.047 -10.651 1.00 0.00 C ATOM 1354 CG GLU A 89 5.248 -11.629 -11.987 1.00 0.00 C ATOM 1355 CD GLU A 89 4.268 -12.706 -12.452 1.00 0.00 C ATOM 1356 OE1 GLU A 89 4.725 -13.720 -12.954 1.00 0.00 O ATOM 1357 OE2 GLU A 89 3.074 -12.500 -12.299 1.00 0.00 O ATOM 0 H GLU A 89 4.123 -10.289 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 89 4.281 -13.264 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.534 -11.264 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.475 -12.943 -10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.732 -10.675 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.029 -11.485 -12.734 1.00 0.00 H new ATOM 1364 N ALA A 90 4.541 -12.378 -7.212 1.00 0.00 N ATOM 1365 CA ALA A 90 5.073 -12.417 -5.819 1.00 0.00 C ATOM 1366 C ALA A 90 5.905 -13.687 -5.627 1.00 0.00 C ATOM 1367 O ALA A 90 5.379 -14.766 -5.441 1.00 0.00 O ATOM 1368 CB ALA A 90 3.909 -12.414 -4.829 1.00 0.00 C ATOM 0 H ALA A 90 3.524 -12.376 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 90 5.700 -11.543 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.297 -12.443 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.317 -11.509 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.281 -13.288 -5.003 1.00 0.00 H new ATOM 1374 N LYS A 91 7.204 -13.567 -5.671 1.00 0.00 N ATOM 1375 CA LYS A 91 8.068 -14.761 -5.493 1.00 0.00 C ATOM 1376 C LYS A 91 7.956 -15.260 -4.051 1.00 0.00 C ATOM 1377 O LYS A 91 6.933 -15.767 -3.638 1.00 0.00 O ATOM 1378 CB LYS A 91 9.516 -14.374 -5.790 1.00 0.00 C ATOM 1379 CG LYS A 91 9.638 -13.934 -7.250 1.00 0.00 C ATOM 1380 CD LYS A 91 10.858 -13.025 -7.414 1.00 0.00 C ATOM 1381 CE LYS A 91 10.961 -12.562 -8.868 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.395 -12.380 -9.231 1.00 0.00 N ATOM 0 H LYS A 91 7.702 -12.690 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 91 7.752 -15.552 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.831 -13.567 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.176 -15.220 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.733 -14.807 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.735 -13.406 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.773 -12.163 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.764 -13.559 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.498 -13.295 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.419 -11.626 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.466 -12.065 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.823 -11.665 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.899 -13.283 -9.118 1.00 0.00 H new ATOM 1396 N LYS A 92 9.000 -15.117 -3.281 1.00 0.00 N ATOM 1397 CA LYS A 92 8.951 -15.581 -1.866 1.00 0.00 C ATOM 1398 C LYS A 92 10.085 -14.926 -1.076 1.00 0.00 C ATOM 1399 O LYS A 92 9.864 -14.035 -0.280 1.00 0.00 O ATOM 1400 CB LYS A 92 9.111 -17.102 -1.819 1.00 0.00 C ATOM 1401 CG LYS A 92 8.808 -17.605 -0.407 1.00 0.00 C ATOM 1402 CD LYS A 92 9.860 -18.636 0.006 1.00 0.00 C ATOM 1403 CE LYS A 92 9.846 -19.803 -0.984 1.00 0.00 C ATOM 1404 NZ LYS A 92 9.824 -21.091 -0.233 1.00 0.00 N ATOM 0 H LYS A 92 9.884 -14.699 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 92 7.993 -15.304 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.437 -17.571 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.125 -17.380 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.806 -16.771 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.814 -18.051 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.848 -18.175 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.655 -18.997 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.973 -19.733 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.725 -19.759 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.814 -21.885 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.670 -21.157 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.972 -21.131 0.362 1.00 0.00 H new ATOM 1418 N GLU A 93 11.297 -15.361 -1.289 1.00 0.00 N ATOM 1419 CA GLU A 93 12.445 -14.768 -0.553 1.00 0.00 C ATOM 1420 C GLU A 93 12.337 -13.241 -0.579 1.00 0.00 C ATOM 1421 O GLU A 93 12.934 -12.553 0.226 1.00 0.00 O ATOM 1422 CB GLU A 93 13.755 -15.198 -1.218 1.00 0.00 C ATOM 1423 CG GLU A 93 14.928 -14.879 -0.290 1.00 0.00 C ATOM 1424 CD GLU A 93 15.454 -16.174 0.331 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.857 -16.632 1.291 1.00 0.00 O ATOM 1426 OE2 GLU A 93 16.446 -16.685 -0.164 1.00 0.00 O ATOM 0 H GLU A 93 11.540 -16.104 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 93 12.431 -15.115 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.731 -16.266 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.879 -14.680 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.722 -14.382 -0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.609 -14.191 0.493 1.00 0.00 H new ATOM 1433 N ASN A 94 11.580 -12.707 -1.498 1.00 0.00 N ATOM 1434 CA ASN A 94 11.435 -11.226 -1.574 1.00 0.00 C ATOM 1435 C ASN A 94 10.254 -10.781 -0.708 1.00 0.00 C ATOM 1436 O ASN A 94 10.297 -9.751 -0.064 1.00 0.00 O ATOM 1437 CB ASN A 94 11.188 -10.810 -3.026 1.00 0.00 C ATOM 1438 CG ASN A 94 12.396 -10.030 -3.545 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.244 -9.035 -4.227 1.00 0.00 O ATOM 1440 ND2 ASN A 94 13.599 -10.440 -3.249 1.00 0.00 N ATOM 0 H ASN A 94 11.056 -13.232 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 94 12.348 -10.755 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.018 -11.691 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.290 -10.196 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.411 -9.926 -3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.727 -11.275 -2.677 1.00 0.00 H new ATOM 1447 N ILE A 95 9.201 -11.550 -0.689 1.00 0.00 N ATOM 1448 CA ILE A 95 8.017 -11.173 0.133 1.00 0.00 C ATOM 1449 C ILE A 95 8.405 -11.159 1.612 1.00 0.00 C ATOM 1450 O ILE A 95 7.709 -10.611 2.442 1.00 0.00 O ATOM 1451 CB ILE A 95 6.893 -12.190 -0.091 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.322 -12.014 -1.502 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.785 -11.958 0.942 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.371 -13.169 -1.826 1.00 0.00 C ATOM 0 H ILE A 95 9.109 -12.424 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 95 7.673 -10.181 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 95 7.286 -13.201 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.792 -11.064 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.132 -11.983 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.984 -12.680 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.192 -12.080 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.390 -10.948 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.968 -13.038 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.914 -14.113 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.553 -13.180 -1.106 1.00 0.00 H new ATOM 1466 N ILE A 96 9.513 -11.760 1.949 1.00 0.00 N ATOM 1467 CA ILE A 96 9.945 -11.783 3.375 1.00 0.00 C ATOM 1468 C ILE A 96 10.570 -10.439 3.742 1.00 0.00 C ATOM 1469 O ILE A 96 10.090 -9.738 4.611 1.00 0.00 O ATOM 1470 CB ILE A 96 10.970 -12.899 3.580 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.240 -14.229 3.774 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.815 -12.596 4.820 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.240 -15.381 3.653 1.00 0.00 C ATOM 0 H ILE A 96 10.138 -12.236 1.298 1.00 0.00 H new ATOM 0 HA ILE A 96 9.080 -11.965 4.013 1.00 0.00 H new ATOM 0 HB ILE A 96 11.618 -12.962 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.758 -14.253 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.453 -14.336 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.546 -13.392 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.334 -11.647 4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.168 -12.533 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.721 -16.329 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.701 -15.360 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.011 -15.275 4.416 1.00 0.00 H new ATOM 1485 N ALA A 97 11.636 -10.076 3.087 1.00 0.00 N ATOM 1486 CA ALA A 97 12.293 -8.774 3.396 1.00 0.00 C ATOM 1487 C ALA A 97 11.228 -7.682 3.472 1.00 0.00 C ATOM 1488 O ALA A 97 11.281 -6.802 4.308 1.00 0.00 O ATOM 1489 CB ALA A 97 13.298 -8.433 2.293 1.00 0.00 C ATOM 0 H ALA A 97 12.082 -10.624 2.351 1.00 0.00 H new ATOM 0 HA ALA A 97 12.816 -8.844 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.778 -7.481 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.054 -9.216 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.779 -8.359 1.338 1.00 0.00 H new ATOM 1495 N ALA A 98 10.256 -7.741 2.609 1.00 0.00 N ATOM 1496 CA ALA A 98 9.177 -6.717 2.629 1.00 0.00 C ATOM 1497 C ALA A 98 8.558 -6.655 4.028 1.00 0.00 C ATOM 1498 O ALA A 98 8.533 -5.618 4.659 1.00 0.00 O ATOM 1499 CB ALA A 98 8.100 -7.098 1.611 1.00 0.00 C ATOM 0 H ALA A 98 10.161 -8.456 1.888 1.00 0.00 H new ATOM 0 HA ALA A 98 9.593 -5.742 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.307 -6.350 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.541 -7.144 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.684 -8.072 1.869 1.00 0.00 H new ATOM 1505 N ALA A 99 8.049 -7.755 4.512 1.00 0.00 N ATOM 1506 CA ALA A 99 7.425 -7.756 5.862 1.00 0.00 C ATOM 1507 C ALA A 99 8.420 -7.225 6.896 1.00 0.00 C ATOM 1508 O ALA A 99 8.049 -6.563 7.844 1.00 0.00 O ATOM 1509 CB ALA A 99 7.014 -9.182 6.232 1.00 0.00 C ATOM 0 H ALA A 99 8.039 -8.653 4.029 1.00 0.00 H new ATOM 0 HA ALA A 99 6.545 -7.114 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.557 -9.184 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.298 -9.556 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.895 -9.824 6.238 1.00 0.00 H new ATOM 1515 N GLN A 100 9.680 -7.514 6.725 1.00 0.00 N ATOM 1516 CA GLN A 100 10.696 -7.031 7.702 1.00 0.00 C ATOM 1517 C GLN A 100 10.634 -5.504 7.796 1.00 0.00 C ATOM 1518 O GLN A 100 11.137 -4.913 8.730 1.00 0.00 O ATOM 1519 CB GLN A 100 12.091 -7.456 7.236 1.00 0.00 C ATOM 1520 CG GLN A 100 12.950 -7.821 8.449 1.00 0.00 C ATOM 1521 CD GLN A 100 14.344 -8.239 7.981 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.487 -8.795 6.809 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 15.315 -8.057 8.688 1.00 0.00 N flip ATOM 0 H GLN A 100 10.051 -8.064 5.950 1.00 0.00 H new ATOM 0 HA GLN A 100 10.490 -7.462 8.682 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.016 -8.309 6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.560 -6.647 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.022 -6.970 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.484 -8.633 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 100 15.205 -7.623 9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.241 -8.339 8.365 1.00 0.00 H new ATOM 1532 N ALA A 101 10.025 -4.867 6.830 1.00 0.00 N ATOM 1533 CA ALA A 101 9.931 -3.376 6.849 1.00 0.00 C ATOM 1534 C ALA A 101 8.511 -2.947 7.242 1.00 0.00 C ATOM 1535 O ALA A 101 8.115 -3.069 8.385 1.00 0.00 O ATOM 1536 CB ALA A 101 10.264 -2.836 5.458 1.00 0.00 C ATOM 0 H ALA A 101 9.587 -5.316 6.026 1.00 0.00 H new ATOM 0 HA ALA A 101 10.636 -2.977 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.197 -1.748 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.275 -3.136 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.557 -3.238 4.733 1.00 0.00 H new ATOM 1542 N GLY A 102 7.748 -2.446 6.299 1.00 0.00 N ATOM 1543 CA GLY A 102 6.358 -2.002 6.591 1.00 0.00 C ATOM 1544 C GLY A 102 5.391 -2.717 5.648 1.00 0.00 C ATOM 1545 O GLY A 102 4.195 -2.552 5.728 1.00 0.00 O ATOM 0 H GLY A 102 8.038 -2.327 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.104 -2.223 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.275 -0.922 6.466 1.00 0.00 H new ATOM 1549 N ALA A 103 5.920 -3.525 4.774 1.00 0.00 N ATOM 1550 CA ALA A 103 5.096 -4.307 3.796 1.00 0.00 C ATOM 1551 C ALA A 103 4.034 -5.158 4.508 1.00 0.00 C ATOM 1552 O ALA A 103 3.461 -6.047 3.913 1.00 0.00 O ATOM 1553 CB ALA A 103 6.005 -5.213 2.975 1.00 0.00 C ATOM 0 H ALA A 103 6.924 -3.684 4.691 1.00 0.00 H new ATOM 0 HA ALA A 103 4.583 -3.599 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.406 -5.782 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.731 -4.606 2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.529 -5.900 3.639 1.00 0.00 H new ATOM 1559 N SER A 104 3.833 -4.936 5.782 1.00 0.00 N ATOM 1560 CA SER A 104 2.863 -5.754 6.592 1.00 0.00 C ATOM 1561 C SER A 104 1.705 -6.294 5.743 1.00 0.00 C ATOM 1562 O SER A 104 1.193 -7.361 6.018 1.00 0.00 O ATOM 1563 CB SER A 104 2.272 -4.871 7.697 1.00 0.00 C ATOM 1564 OG SER A 104 2.909 -5.172 8.931 1.00 0.00 O ATOM 0 H SER A 104 4.309 -4.206 6.312 1.00 0.00 H new ATOM 0 HA SER A 104 3.411 -6.602 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.411 -3.818 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.198 -5.040 7.778 1.00 0.00 H new ATOM 0 HG SER A 104 2.534 -4.607 9.639 1.00 0.00 H new ATOM 1570 N GLY A 105 1.293 -5.588 4.723 1.00 0.00 N ATOM 1571 CA GLY A 105 0.172 -6.088 3.870 1.00 0.00 C ATOM 1572 C GLY A 105 0.669 -6.334 2.440 1.00 0.00 C ATOM 1573 O GLY A 105 1.362 -5.517 1.865 1.00 0.00 O ATOM 0 H GLY A 105 1.683 -4.688 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.230 -7.011 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.641 -5.362 3.861 1.00 0.00 H new ATOM 1577 N TYR A 106 0.305 -7.445 1.856 1.00 0.00 N ATOM 1578 CA TYR A 106 0.738 -7.735 0.456 1.00 0.00 C ATOM 1579 C TYR A 106 -0.305 -8.619 -0.222 1.00 0.00 C ATOM 1580 O TYR A 106 -0.497 -9.760 0.149 1.00 0.00 O ATOM 1581 CB TYR A 106 2.080 -8.469 0.447 1.00 0.00 C ATOM 1582 CG TYR A 106 2.021 -9.608 -0.552 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.939 -9.344 -1.931 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.046 -10.934 -0.102 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.881 -10.405 -2.844 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.989 -11.990 -1.016 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.907 -11.726 -2.386 1.00 0.00 C ATOM 1588 OH TYR A 106 1.847 -12.772 -3.282 1.00 0.00 O ATOM 0 H TYR A 106 -0.274 -8.165 2.288 1.00 0.00 H new ATOM 0 HA TYR A 106 0.843 -6.790 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.883 -7.780 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.304 -8.854 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.921 -8.324 -2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.110 -11.142 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.816 -10.202 -3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.008 -13.011 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 106 1.877 -13.622 -2.795 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.965 -8.103 -1.221 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.987 -8.908 -1.946 1.00 0.00 C ATOM 1600 C VAL A 107 -1.439 -9.272 -3.317 1.00 0.00 C ATOM 1601 O VAL A 107 -0.807 -8.467 -3.976 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.259 -8.085 -2.130 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.937 -6.838 -2.956 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.307 -8.928 -2.863 1.00 0.00 C ATOM 0 H VAL A 107 -0.839 -7.152 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.215 -9.807 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.649 -7.787 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.843 -6.247 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.187 -6.241 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.551 -7.137 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.217 -8.343 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.920 -9.223 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.531 -9.819 -2.277 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.680 -10.467 -3.765 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.174 -10.853 -5.102 1.00 0.00 C ATOM 1616 C VAL A 108 -2.226 -10.465 -6.154 1.00 0.00 C ATOM 1617 O VAL A 108 -3.215 -11.148 -6.335 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.930 -12.362 -5.148 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.240 -13.103 -4.884 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.395 -12.748 -6.529 1.00 0.00 C ATOM 0 H VAL A 108 -2.202 -11.188 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.235 -10.339 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.201 -12.634 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.063 -14.178 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.622 -12.828 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.971 -12.832 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.220 -13.823 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.124 -12.474 -7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.541 -12.222 -6.717 1.00 0.00 H new ATOM 1630 N LYS A 109 -2.030 -9.368 -6.834 1.00 0.00 N ATOM 1631 CA LYS A 109 -3.026 -8.925 -7.859 1.00 0.00 C ATOM 1632 C LYS A 109 -3.127 -9.985 -8.970 1.00 0.00 C ATOM 1633 O LYS A 109 -2.173 -10.702 -9.199 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.540 -7.600 -8.461 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.055 -7.721 -8.817 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.703 -6.738 -9.943 1.00 0.00 C ATOM 1637 CE LYS A 109 -1.373 -7.165 -11.257 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.367 -7.135 -12.357 1.00 0.00 N ATOM 0 H LYS A 109 -1.221 -8.756 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 109 -4.006 -8.795 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.121 -7.357 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.691 -6.787 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.444 -7.514 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.829 -8.741 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.028 -5.733 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.378 -6.699 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.789 -8.167 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.202 -6.497 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.512 -6.284 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.591 -7.118 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.477 -7.982 -12.951 1.00 0.00 H new ATOM 1652 N PRO A 110 -4.251 -10.045 -9.670 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.453 -9.198 -9.439 1.00 0.00 C ATOM 1654 C PRO A 110 -6.229 -9.668 -8.204 1.00 0.00 C ATOM 1655 O PRO A 110 -6.005 -10.746 -7.689 1.00 0.00 O ATOM 1656 CB PRO A 110 -6.329 -9.430 -10.679 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.603 -10.454 -11.585 1.00 0.00 C ATOM 1658 CD PRO A 110 -4.378 -10.964 -10.812 1.00 0.00 C ATOM 0 HA PRO A 110 -5.180 -8.155 -9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.311 -9.805 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.491 -8.494 -11.213 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.267 -11.280 -11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.299 -9.989 -12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.519 -11.992 -10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.483 -10.950 -11.434 1.00 0.00 H new ATOM 1666 N PHE A 111 -7.160 -8.874 -7.743 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.972 -9.282 -6.562 1.00 0.00 C ATOM 1668 C PHE A 111 -9.383 -8.737 -6.694 1.00 0.00 C ATOM 1669 O PHE A 111 -9.628 -7.743 -7.348 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.383 -8.716 -5.265 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.956 -7.283 -5.478 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.914 -6.263 -5.594 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.600 -6.980 -5.585 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.498 -4.948 -5.824 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -5.188 -5.665 -5.804 1.00 0.00 C ATOM 1676 CZ PHE A 111 -6.137 -4.649 -5.929 1.00 0.00 C ATOM 0 H PHE A 111 -7.392 -7.961 -8.134 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.972 -10.371 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.122 -8.770 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.529 -9.316 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.966 -6.493 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.865 -7.766 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -8.231 -4.161 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.136 -5.433 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.819 -3.632 -6.107 1.00 0.00 H new ATOM 1686 N THR A 112 -10.299 -9.360 -6.029 1.00 0.00 N ATOM 1687 CA THR A 112 -11.696 -8.864 -6.042 1.00 0.00 C ATOM 1688 C THR A 112 -11.846 -7.947 -4.830 1.00 0.00 C ATOM 1689 O THR A 112 -11.225 -8.167 -3.810 1.00 0.00 O ATOM 1690 CB THR A 112 -12.671 -10.038 -5.927 1.00 0.00 C ATOM 1691 OG1 THR A 112 -12.034 -11.228 -6.373 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.907 -9.766 -6.786 1.00 0.00 C ATOM 0 H THR A 112 -10.143 -10.199 -5.471 1.00 0.00 H new ATOM 0 HA THR A 112 -11.915 -8.334 -6.969 1.00 0.00 H new ATOM 0 HB THR A 112 -12.974 -10.156 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.657 -11.981 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 112 -14.600 -10.603 -6.702 1.00 0.00 H new ATOM 0 HG22 THR A 112 -14.396 -8.855 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 112 -13.607 -9.646 -7.827 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.632 -6.915 -4.921 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.769 -6.003 -3.752 1.00 0.00 C ATOM 1702 C ALA A 113 -13.026 -6.828 -2.497 1.00 0.00 C ATOM 1703 O ALA A 113 -12.745 -6.399 -1.397 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.926 -5.026 -3.981 1.00 0.00 C ATOM 0 H ALA A 113 -13.181 -6.663 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.849 -5.432 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.018 -4.363 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.731 -4.434 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.853 -5.584 -4.110 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.526 -8.019 -2.650 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.759 -8.869 -1.456 1.00 0.00 C ATOM 1712 C ALA A 114 -12.424 -9.485 -1.059 1.00 0.00 C ATOM 1713 O ALA A 114 -12.131 -9.670 0.107 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.766 -9.972 -1.787 1.00 0.00 C ATOM 0 H ALA A 114 -13.782 -8.438 -3.544 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.163 -8.274 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.931 -10.591 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.710 -9.522 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.376 -10.590 -2.596 1.00 0.00 H new ATOM 1720 N THR A 115 -11.601 -9.782 -2.025 1.00 0.00 N ATOM 1721 CA THR A 115 -10.271 -10.360 -1.713 1.00 0.00 C ATOM 1722 C THR A 115 -9.392 -9.258 -1.122 1.00 0.00 C ATOM 1723 O THR A 115 -8.967 -9.352 0.015 1.00 0.00 O ATOM 1724 CB THR A 115 -9.638 -10.914 -2.985 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.284 -12.127 -3.344 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.149 -11.175 -2.751 1.00 0.00 C ATOM 0 H THR A 115 -11.795 -9.648 -3.017 1.00 0.00 H new ATOM 0 HA THR A 115 -10.373 -11.175 -0.996 1.00 0.00 H new ATOM 0 HB THR A 115 -9.752 -10.189 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.879 -12.483 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.701 -11.571 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.654 -10.242 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.029 -11.898 -1.944 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.112 -8.198 -1.859 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.273 -7.128 -1.261 1.00 0.00 C ATOM 1736 C LEU A 116 -8.872 -6.754 0.102 1.00 0.00 C ATOM 1737 O LEU A 116 -8.162 -6.499 1.054 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.264 -5.880 -2.165 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.828 -5.376 -2.440 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.883 -3.940 -2.941 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.984 -5.369 -1.173 1.00 0.00 C ATOM 0 H LEU A 116 -9.422 -8.040 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.250 -7.487 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.754 -6.113 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.843 -5.086 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.385 -6.048 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.871 -3.583 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.466 -3.898 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.351 -3.309 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.982 -5.009 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.443 -4.713 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.922 -6.380 -0.771 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.182 -6.718 0.203 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.815 -6.361 1.500 1.00 0.00 C ATOM 1755 C GLU A 117 -10.479 -7.419 2.549 1.00 0.00 C ATOM 1756 O GLU A 117 -10.083 -7.106 3.656 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.333 -6.293 1.330 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.998 -6.221 2.707 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.430 -5.708 2.557 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.164 -6.278 1.765 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -14.772 -4.755 3.237 1.00 0.00 O ATOM 0 H GLU A 117 -10.831 -6.921 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.436 -5.392 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.604 -5.420 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.689 -7.169 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.001 -7.206 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.431 -5.560 3.362 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.643 -8.666 2.210 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.346 -9.758 3.181 1.00 0.00 C ATOM 1770 C GLU A 118 -9.019 -9.473 3.886 1.00 0.00 C ATOM 1771 O GLU A 118 -8.898 -9.626 5.085 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.251 -11.090 2.435 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.951 -12.213 3.430 1.00 0.00 C ATOM 1774 CD GLU A 118 -8.480 -12.617 3.316 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -7.664 -11.743 3.071 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -8.195 -13.792 3.475 1.00 0.00 O ATOM 0 H GLU A 118 -10.972 -8.979 1.297 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.144 -9.810 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.185 -11.293 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.467 -11.040 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.171 -11.882 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.592 -13.072 3.229 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.024 -9.060 3.152 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.707 -8.768 3.786 1.00 0.00 C ATOM 1785 C LYS A 119 -6.841 -7.559 4.715 1.00 0.00 C ATOM 1786 O LYS A 119 -6.439 -7.598 5.861 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.678 -8.460 2.698 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.271 -8.714 3.240 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.900 -10.184 3.032 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.235 -10.354 1.665 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.890 -11.789 1.457 1.00 0.00 N ATOM 0 H LYS A 119 -8.065 -8.912 2.144 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.383 -9.634 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.860 -9.084 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.773 -7.423 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.553 -8.071 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.228 -8.464 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.224 -10.515 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.792 -10.808 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.906 -10.012 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.336 -9.740 1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.438 -11.906 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.235 -12.100 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.756 -12.363 1.495 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.396 -6.484 4.228 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.550 -5.270 5.079 1.00 0.00 C ATOM 1807 C LEU A 120 -8.237 -5.643 6.395 1.00 0.00 C ATOM 1808 O LEU A 120 -8.070 -4.983 7.401 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.397 -4.232 4.335 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.692 -2.870 4.360 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.500 -1.856 3.552 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.577 -2.370 5.800 1.00 0.00 C ATOM 0 H LEU A 120 -7.750 -6.393 3.276 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.566 -4.853 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.556 -4.550 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.380 -4.151 4.799 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.698 -2.982 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.996 -0.890 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.587 -2.199 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.495 -1.755 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.075 -1.402 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.573 -2.267 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -7.000 -3.084 6.388 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.010 -6.693 6.396 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.709 -7.102 7.649 1.00 0.00 C ATOM 1826 C ASN A 121 -8.753 -7.910 8.533 1.00 0.00 C ATOM 1827 O ASN A 121 -8.930 -8.001 9.733 1.00 0.00 O ATOM 1828 CB ASN A 121 -10.927 -7.958 7.297 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.189 -7.304 7.861 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.430 -6.133 7.643 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.012 -8.016 8.581 1.00 0.00 N ATOM 0 H ASN A 121 -9.189 -7.286 5.585 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.033 -6.212 8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.011 -8.063 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.810 -8.961 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.857 -7.590 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.810 -8.999 8.764 1.00 0.00 H new ATOM 1838 N LYS A 122 -7.745 -8.500 7.952 1.00 0.00 N ATOM 1839 CA LYS A 122 -6.779 -9.304 8.757 1.00 0.00 C ATOM 1840 C LYS A 122 -5.773 -8.365 9.431 1.00 0.00 C ATOM 1841 O LYS A 122 -5.191 -8.686 10.447 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.050 -10.284 7.826 1.00 0.00 C ATOM 1843 CG LYS A 122 -4.617 -10.530 8.319 1.00 0.00 C ATOM 1844 CD LYS A 122 -4.037 -11.756 7.610 1.00 0.00 C ATOM 1845 CE LYS A 122 -2.617 -11.446 7.133 1.00 0.00 C ATOM 1846 NZ LYS A 122 -2.049 -12.641 6.448 1.00 0.00 N ATOM 0 H LYS A 122 -7.547 -8.461 6.952 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.308 -9.865 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.594 -11.228 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.028 -9.884 6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.998 -9.655 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.614 -10.685 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.026 -12.610 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.665 -12.030 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.629 -10.595 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.990 -11.168 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.084 -12.429 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.024 -13.442 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.642 -12.887 5.630 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.562 -7.210 8.866 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.591 -6.247 9.461 1.00 0.00 C ATOM 1862 C ILE A 123 -5.313 -5.338 10.455 1.00 0.00 C ATOM 1863 O ILE A 123 -4.754 -4.923 11.451 1.00 0.00 O ATOM 1864 CB ILE A 123 -3.989 -5.398 8.334 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.098 -6.283 7.460 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.154 -4.246 8.909 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.739 -5.536 6.175 1.00 0.00 C ATOM 0 H ILE A 123 -6.022 -6.889 8.014 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.802 -6.789 9.982 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.800 -4.977 7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.191 -6.552 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.614 -7.213 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.736 -3.657 8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.788 -3.611 9.528 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.344 -4.651 9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.104 -6.167 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.651 -5.289 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.206 -4.619 6.424 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.537 -5.002 10.180 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.277 -4.095 11.092 1.00 0.00 C ATOM 1881 C PHE A 124 -7.818 -4.865 12.292 1.00 0.00 C ATOM 1882 O PHE A 124 -8.393 -4.292 13.196 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.406 -3.429 10.316 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.875 -2.262 9.500 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.512 -2.149 9.136 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.774 -1.281 9.097 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.083 -1.053 8.384 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.341 -0.190 8.342 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.003 -0.076 7.991 1.00 0.00 C ATOM 0 H PHE A 124 -7.058 -5.317 9.362 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.602 -3.328 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -8.880 -4.156 9.656 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.173 -3.078 11.007 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.806 -2.908 9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.816 -1.364 9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.043 -0.960 8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.047 0.566 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.671 0.772 7.411 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.603 -6.148 12.342 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.072 -6.913 13.525 1.00 0.00 C ATOM 1901 C GLU A 125 -7.089 -6.632 14.656 1.00 0.00 C ATOM 1902 O GLU A 125 -7.395 -6.768 15.823 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.098 -8.411 13.210 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.941 -9.138 14.260 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.414 -9.102 13.848 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.776 -9.846 12.950 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.155 -8.333 14.437 1.00 0.00 O ATOM 0 H GLU A 125 -7.128 -6.694 11.623 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.082 -6.614 13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.513 -8.577 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.084 -8.810 13.203 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.606 -10.170 14.360 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.813 -8.666 15.234 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.908 -6.206 14.297 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.881 -5.868 15.315 1.00 0.00 C ATOM 1916 C LYS A 126 -4.899 -4.353 15.514 1.00 0.00 C ATOM 1917 O LYS A 126 -4.565 -3.845 16.566 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.503 -6.306 14.814 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.609 -7.690 14.169 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.301 -8.460 14.383 1.00 0.00 C ATOM 1921 CE LYS A 126 -2.160 -8.868 15.855 1.00 0.00 C ATOM 1922 NZ LYS A 126 -2.048 -10.352 15.947 1.00 0.00 N ATOM 0 H LYS A 126 -5.611 -6.077 13.330 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.091 -6.377 16.256 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.121 -5.585 14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.795 -6.333 15.642 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.443 -8.242 14.604 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.814 -7.591 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.285 -9.347 13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.454 -7.841 14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.279 -8.398 16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.022 -8.521 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.952 -10.632 16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.901 -10.790 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.212 -10.671 15.416 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.306 -3.631 14.503 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.372 -2.147 14.614 1.00 0.00 C ATOM 1938 C LEU A 127 -6.655 -1.776 15.366 1.00 0.00 C ATOM 1939 O LEU A 127 -6.735 -0.748 16.007 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.388 -1.529 13.200 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.662 -0.173 13.185 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.282 0.766 14.220 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.172 -0.366 13.498 1.00 0.00 C ATOM 0 H LEU A 127 -5.597 -4.009 13.601 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.505 -1.765 15.154 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.910 -2.210 12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.418 -1.398 12.868 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.766 0.265 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.761 1.723 14.201 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.335 0.922 13.985 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.193 0.324 15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.669 0.601 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.063 -0.818 14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.724 -1.018 12.748 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.659 -2.614 15.304 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.927 -2.305 16.024 1.00 0.00 C ATOM 1957 C GLY A 128 -9.347 -0.867 15.722 1.00 0.00 C ATOM 1958 O GLY A 128 -8.994 0.058 16.428 1.00 0.00 O ATOM 0 H GLY A 128 -7.654 -3.494 14.788 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.711 -2.997 15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.790 -2.437 17.097 1.00 0.00 H new ATOM 1962 N MET A 129 -10.098 -0.672 14.675 1.00 0.00 N ATOM 1963 CA MET A 129 -10.541 0.705 14.318 1.00 0.00 C ATOM 1964 C MET A 129 -11.873 1.009 15.009 1.00 0.00 C ATOM 1965 O MET A 129 -11.839 1.521 16.117 1.00 0.00 O ATOM 1966 CB MET A 129 -10.715 0.807 12.800 1.00 0.00 C ATOM 1967 CG MET A 129 -10.856 -0.595 12.201 1.00 0.00 C ATOM 1968 SD MET A 129 -12.208 -1.476 13.024 1.00 0.00 S ATOM 1969 CE MET A 129 -12.428 -2.770 11.780 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.903 0.725 14.421 1.00 0.00 O ATOM 0 H MET A 129 -10.425 -1.408 14.049 1.00 0.00 H new ATOM 0 HA MET A 129 -9.791 1.425 14.646 1.00 0.00 H new ATOM 0 HB2 MET A 129 -11.596 1.404 12.565 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.858 1.317 12.360 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.052 -0.526 11.131 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.924 -1.147 12.319 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.229 -3.441 12.090 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.685 -2.315 10.823 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.502 -3.335 11.675 1.00 0.00 H new TER 1980 MET A 129