USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 767 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 19 GLN : amide:sc= 0 K(o=-0.74,f=-1.4) USER MOD Set 1.2: A 22 HIS : no HD1:sc= -0.736 X(o=-0.74,f=-0.45) USER MOD Single : A 1 MET CE :methyl -147:sc= 0 (180deg=-0.117) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.15 (180deg=-1.14) USER MOD Single : A 3 ASN : amide:sc= -0.79 X(o=-0.79,f=-0.67) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0344) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 157:sc= -1.83 (180deg=-2.61!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 40 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-4.2) USER MOD Single : A 43 SER OG : rot 111:sc= 0.632 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.7) USER MOD Single : A 48 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.9) USER MOD Single : A 50 ASN : amide:sc= -2.58! C(o=-2.6!,f=-10!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 26:sc= 0.244 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.227 USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -0.0338 (180deg=-0.319) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0927 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 130:sc= -0.997 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.962 8.411 6.796 1.00 0.00 N ATOM 2 CA MET A 1 -12.835 9.369 5.664 1.00 0.00 C ATOM 3 C MET A 1 -11.383 9.813 5.471 1.00 0.00 C ATOM 4 O MET A 1 -10.904 10.714 6.160 1.00 0.00 O ATOM 5 CB MET A 1 -13.731 10.584 5.943 1.00 0.00 C ATOM 6 CG MET A 1 -14.422 11.130 4.703 1.00 0.00 C ATOM 7 SD MET A 1 -13.292 12.011 3.608 1.00 0.00 S ATOM 8 CE MET A 1 -13.093 13.552 4.499 1.00 0.00 C ATOM 0 H1 MET A 1 -13.805 7.818 6.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.116 7.807 6.836 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.054 8.938 7.688 1.00 0.00 H new ATOM 0 HA MET A 1 -13.150 8.876 4.744 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.487 10.306 6.677 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.128 11.374 6.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.883 10.307 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.226 11.801 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.957 14.368 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.981 13.740 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.220 13.487 5.148 1.00 0.00 H new ATOM 20 N VAL A 2 -10.689 9.173 4.529 1.00 0.00 N ATOM 21 CA VAL A 2 -9.291 9.500 4.241 1.00 0.00 C ATOM 22 C VAL A 2 -9.024 9.509 2.735 1.00 0.00 C ATOM 23 O VAL A 2 -9.856 9.060 1.947 1.00 0.00 O ATOM 24 CB VAL A 2 -8.321 8.500 4.909 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.254 8.729 6.413 1.00 0.00 C ATOM 26 CG2 VAL A 2 -8.729 7.068 4.593 1.00 0.00 C ATOM 0 H VAL A 2 -11.072 8.424 3.952 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.116 10.495 4.650 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.324 8.668 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.565 8.013 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.904 9.742 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.246 8.597 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.034 6.378 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.737 6.886 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.708 6.913 3.514 1.00 0.00 H new ATOM 36 N ASN A 3 -7.856 10.016 2.344 1.00 0.00 N ATOM 37 CA ASN A 3 -7.474 10.075 0.934 1.00 0.00 C ATOM 38 C ASN A 3 -5.954 10.164 0.784 1.00 0.00 C ATOM 39 O ASN A 3 -5.375 11.250 0.833 1.00 0.00 O ATOM 40 CB ASN A 3 -8.154 11.262 0.233 1.00 0.00 C ATOM 41 CG ASN A 3 -7.894 12.593 0.921 1.00 0.00 C ATOM 42 OD1 ASN A 3 -7.079 13.391 0.457 1.00 0.00 O ATOM 43 ND2 ASN A 3 -8.589 12.843 2.026 1.00 0.00 N ATOM 0 H ASN A 3 -7.157 10.392 2.985 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.811 9.155 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.802 11.318 -0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.229 11.085 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.457 13.724 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.255 12.154 2.377 1.00 0.00 H new ATOM 50 N VAL A 4 -5.314 9.009 0.607 1.00 0.00 N ATOM 51 CA VAL A 4 -3.862 8.951 0.453 1.00 0.00 C ATOM 52 C VAL A 4 -3.471 8.689 -1.002 1.00 0.00 C ATOM 53 O VAL A 4 -4.054 7.829 -1.668 1.00 0.00 O ATOM 54 CB VAL A 4 -3.234 7.860 1.350 1.00 0.00 C ATOM 55 CG1 VAL A 4 -3.292 8.269 2.816 1.00 0.00 C ATOM 56 CG2 VAL A 4 -3.922 6.517 1.135 1.00 0.00 C ATOM 0 H VAL A 4 -5.778 8.102 0.567 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.477 9.923 0.761 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.187 7.751 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.845 7.487 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.742 9.200 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.331 8.413 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.462 5.766 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.980 6.607 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.816 6.217 0.092 1.00 0.00 H new ATOM 66 N LYS A 5 -2.480 9.436 -1.488 1.00 0.00 N ATOM 67 CA LYS A 5 -2.005 9.287 -2.862 1.00 0.00 C ATOM 68 C LYS A 5 -0.894 8.242 -2.939 1.00 0.00 C ATOM 69 O LYS A 5 0.182 8.424 -2.366 1.00 0.00 O ATOM 70 CB LYS A 5 -1.501 10.628 -3.401 1.00 0.00 C ATOM 71 CG LYS A 5 -1.047 10.574 -4.852 1.00 0.00 C ATOM 72 CD LYS A 5 -1.312 11.888 -5.571 1.00 0.00 C ATOM 73 CE LYS A 5 -0.089 12.793 -5.555 1.00 0.00 C ATOM 74 NZ LYS A 5 0.966 12.328 -6.502 1.00 0.00 N ATOM 0 H LYS A 5 -1.991 10.151 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.841 8.951 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.295 11.369 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.671 10.969 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.018 10.345 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.567 9.766 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.603 11.687 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.150 12.400 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.387 13.809 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.321 12.830 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.902 12.598 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.917 11.293 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.816 12.768 -7.432 1.00 0.00 H new ATOM 88 N VAL A 6 -1.164 7.147 -3.648 1.00 0.00 N ATOM 89 CA VAL A 6 -0.190 6.071 -3.797 1.00 0.00 C ATOM 90 C VAL A 6 0.340 5.999 -5.226 1.00 0.00 C ATOM 91 O VAL A 6 -0.375 6.312 -6.180 1.00 0.00 O ATOM 92 CB VAL A 6 -0.796 4.702 -3.425 1.00 0.00 C ATOM 93 CG1 VAL A 6 0.296 3.651 -3.269 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.628 4.806 -2.155 1.00 0.00 C ATOM 0 H VAL A 6 -2.049 6.983 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 6 0.630 6.298 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.453 4.391 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.155 2.694 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.841 3.550 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.984 3.956 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.045 3.829 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.997 5.145 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.438 5.519 -2.308 1.00 0.00 H new ATOM 104 N GLU A 7 1.596 5.579 -5.365 1.00 0.00 N ATOM 105 CA GLU A 7 2.223 5.458 -6.676 1.00 0.00 C ATOM 106 C GLU A 7 2.643 4.012 -6.945 1.00 0.00 C ATOM 107 O GLU A 7 3.687 3.564 -6.473 1.00 0.00 O ATOM 108 CB GLU A 7 3.435 6.388 -6.771 1.00 0.00 C ATOM 109 CG GLU A 7 3.067 7.854 -6.944 1.00 0.00 C ATOM 110 CD GLU A 7 3.352 8.681 -5.704 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.484 9.194 -5.580 1.00 0.00 O ATOM 112 OE2 GLU A 7 2.442 8.817 -4.859 1.00 0.00 O ATOM 0 H GLU A 7 2.198 5.317 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 7 1.495 5.750 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.038 6.278 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.056 6.077 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.623 8.267 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.008 7.932 -7.192 1.00 0.00 H new ATOM 119 N PHE A 8 1.819 3.288 -7.704 1.00 0.00 N ATOM 120 CA PHE A 8 2.100 1.890 -8.034 1.00 0.00 C ATOM 121 C PHE A 8 3.023 1.777 -9.245 1.00 0.00 C ATOM 122 O PHE A 8 2.817 2.446 -10.260 1.00 0.00 O ATOM 123 CB PHE A 8 0.798 1.132 -8.303 1.00 0.00 C ATOM 124 CG PHE A 8 -0.068 0.974 -7.084 1.00 0.00 C ATOM 125 CD1 PHE A 8 0.195 -0.022 -6.156 1.00 0.00 C ATOM 126 CD2 PHE A 8 -1.145 1.819 -6.867 1.00 0.00 C ATOM 127 CE1 PHE A 8 -0.599 -0.172 -5.037 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.942 1.674 -5.748 1.00 0.00 C ATOM 129 CZ PHE A 8 -1.669 0.676 -4.832 1.00 0.00 C ATOM 0 H PHE A 8 0.951 3.647 -8.102 1.00 0.00 H new ATOM 0 HA PHE A 8 2.605 1.445 -7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.234 1.657 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.037 0.145 -8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.031 -0.688 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.364 2.600 -7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.383 -0.952 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.777 2.340 -5.589 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.292 0.560 -3.957 1.00 0.00 H new ATOM 139 N LEU A 9 4.043 0.927 -9.125 1.00 0.00 N ATOM 140 CA LEU A 9 5.009 0.722 -10.202 1.00 0.00 C ATOM 141 C LEU A 9 5.402 -0.749 -10.324 1.00 0.00 C ATOM 142 O LEU A 9 5.366 -1.497 -9.344 1.00 0.00 O ATOM 143 CB LEU A 9 6.254 1.574 -9.959 1.00 0.00 C ATOM 144 CG LEU A 9 6.018 3.085 -9.989 1.00 0.00 C ATOM 145 CD1 LEU A 9 5.669 3.596 -8.601 1.00 0.00 C ATOM 146 CD2 LEU A 9 7.240 3.809 -10.535 1.00 0.00 C ATOM 0 H LEU A 9 4.221 0.369 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 9 4.538 1.026 -11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.676 1.306 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.001 1.323 -10.712 1.00 0.00 H new ATOM 0 HG LEU A 9 5.177 3.288 -10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.504 4.673 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.763 3.103 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.489 3.379 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.051 4.882 -10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.101 3.600 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.444 3.464 -11.549 1.00 0.00 H new ATOM 158 N GLY A 10 5.777 -1.152 -11.538 1.00 0.00 N ATOM 159 CA GLY A 10 6.170 -2.528 -11.783 1.00 0.00 C ATOM 160 C GLY A 10 5.014 -3.375 -12.279 1.00 0.00 C ATOM 161 O GLY A 10 4.651 -3.313 -13.454 1.00 0.00 O ATOM 0 H GLY A 10 5.815 -0.546 -12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.975 -2.549 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.566 -2.960 -10.864 1.00 0.00 H new ATOM 165 N GLY A 11 4.438 -4.168 -11.376 1.00 0.00 N ATOM 166 CA GLY A 11 3.320 -5.028 -11.734 1.00 0.00 C ATOM 167 C GLY A 11 1.990 -4.550 -11.166 1.00 0.00 C ATOM 168 O GLY A 11 0.936 -4.806 -11.752 1.00 0.00 O ATOM 0 H GLY A 11 4.727 -4.230 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.245 -5.083 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.518 -6.039 -11.377 1.00 0.00 H new ATOM 172 N LEU A 12 2.034 -3.860 -10.021 1.00 0.00 N ATOM 173 CA LEU A 12 0.820 -3.353 -9.375 1.00 0.00 C ATOM 174 C LEU A 12 0.013 -2.451 -10.313 1.00 0.00 C ATOM 175 O LEU A 12 -1.216 -2.523 -10.336 1.00 0.00 O ATOM 176 CB LEU A 12 1.173 -2.596 -8.093 1.00 0.00 C ATOM 177 CG LEU A 12 1.172 -3.451 -6.822 1.00 0.00 C ATOM 178 CD1 LEU A 12 2.218 -2.952 -5.836 1.00 0.00 C ATOM 179 CD2 LEU A 12 -0.213 -3.459 -6.187 1.00 0.00 C ATOM 0 H LEU A 12 2.897 -3.640 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 12 0.200 -4.213 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.160 -2.148 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.465 -1.778 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 12 1.429 -4.475 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.200 -3.574 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.205 -3.005 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.999 -1.919 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.196 -4.071 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.501 -2.440 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.934 -3.872 -6.892 1.00 0.00 H new ATOM 191 N ASP A 13 0.703 -1.610 -11.088 1.00 0.00 N ATOM 192 CA ASP A 13 0.030 -0.709 -12.029 1.00 0.00 C ATOM 193 C ASP A 13 -0.664 -1.494 -13.143 1.00 0.00 C ATOM 194 O ASP A 13 -1.716 -1.083 -13.633 1.00 0.00 O ATOM 195 CB ASP A 13 1.015 0.299 -12.639 1.00 0.00 C ATOM 196 CG ASP A 13 2.224 -0.358 -13.279 1.00 0.00 C ATOM 197 OD1 ASP A 13 2.078 -0.934 -14.377 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.317 -0.292 -12.685 1.00 0.00 O ATOM 0 H ASP A 13 1.720 -1.534 -11.083 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.724 -0.160 -11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.496 0.897 -13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.351 0.985 -11.861 1.00 0.00 H new ATOM 203 N ALA A 14 -0.074 -2.624 -13.539 1.00 0.00 N ATOM 204 CA ALA A 14 -0.649 -3.457 -14.593 1.00 0.00 C ATOM 205 C ALA A 14 -1.955 -4.097 -14.133 1.00 0.00 C ATOM 206 O ALA A 14 -2.895 -4.243 -14.915 1.00 0.00 O ATOM 207 CB ALA A 14 0.340 -4.530 -15.031 1.00 0.00 C ATOM 0 H ALA A 14 0.797 -2.981 -13.147 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.865 -2.814 -15.446 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.108 -5.139 -15.816 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.246 -4.057 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.591 -5.163 -14.180 1.00 0.00 H new ATOM 213 N ILE A 15 -2.006 -4.477 -12.858 1.00 0.00 N ATOM 214 CA ILE A 15 -3.195 -5.104 -12.289 1.00 0.00 C ATOM 215 C ILE A 15 -4.245 -4.062 -11.894 1.00 0.00 C ATOM 216 O ILE A 15 -5.447 -4.317 -11.994 1.00 0.00 O ATOM 217 CB ILE A 15 -2.845 -5.959 -11.054 1.00 0.00 C ATOM 218 CG1 ILE A 15 -1.664 -6.892 -11.353 1.00 0.00 C ATOM 219 CG2 ILE A 15 -4.059 -6.761 -10.609 1.00 0.00 C ATOM 220 CD1 ILE A 15 -0.713 -7.059 -10.186 1.00 0.00 C ATOM 0 H ILE A 15 -1.236 -4.361 -12.199 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.608 -5.749 -13.065 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.551 -5.291 -10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.049 -7.871 -11.640 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.112 -6.503 -12.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.799 -7.360 -9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.871 -6.080 -10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.378 -7.418 -11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.097 -7.731 -10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.299 -6.088 -9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.251 -7.478 -9.335 1.00 0.00 H new ATOM 232 N PHE A 16 -3.790 -2.891 -11.442 1.00 0.00 N ATOM 233 CA PHE A 16 -4.696 -1.819 -11.031 1.00 0.00 C ATOM 234 C PHE A 16 -5.477 -1.267 -12.225 1.00 0.00 C ATOM 235 O PHE A 16 -6.673 -1.524 -12.364 1.00 0.00 O ATOM 236 CB PHE A 16 -3.915 -0.689 -10.350 1.00 0.00 C ATOM 237 CG PHE A 16 -4.076 -0.655 -8.856 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.699 -1.738 -8.077 1.00 0.00 C ATOM 239 CD2 PHE A 16 -4.605 0.463 -8.231 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.846 -1.706 -6.703 1.00 0.00 C ATOM 241 CE2 PHE A 16 -4.755 0.500 -6.859 1.00 0.00 C ATOM 242 CZ PHE A 16 -4.376 -0.585 -6.093 1.00 0.00 C ATOM 0 H PHE A 16 -2.800 -2.662 -11.352 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.408 -2.239 -10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.857 -0.795 -10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.241 0.266 -10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.286 -2.617 -8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.903 1.315 -8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.547 -2.556 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.169 1.378 -6.385 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.494 -0.557 -5.020 1.00 0.00 H new ATOM 252 N GLY A 17 -4.791 -0.507 -13.080 1.00 0.00 N ATOM 253 CA GLY A 17 -5.434 0.074 -14.251 1.00 0.00 C ATOM 254 C GLY A 17 -4.465 0.859 -15.120 1.00 0.00 C ATOM 255 O GLY A 17 -4.797 1.938 -15.611 1.00 0.00 O ATOM 0 H GLY A 17 -3.801 -0.283 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.887 -0.721 -14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.242 0.731 -13.929 1.00 0.00 H new ATOM 259 N LYS A 18 -3.265 0.308 -15.307 1.00 0.00 N ATOM 260 CA LYS A 18 -2.227 0.943 -16.118 1.00 0.00 C ATOM 261 C LYS A 18 -1.957 2.384 -15.667 1.00 0.00 C ATOM 262 O LYS A 18 -1.656 3.253 -16.490 1.00 0.00 O ATOM 263 CB LYS A 18 -2.622 0.918 -17.599 1.00 0.00 C ATOM 264 CG LYS A 18 -2.688 -0.483 -18.189 1.00 0.00 C ATOM 265 CD LYS A 18 -2.339 -0.485 -19.670 1.00 0.00 C ATOM 266 CE LYS A 18 -0.880 -0.854 -19.905 1.00 0.00 C ATOM 267 NZ LYS A 18 -0.106 0.268 -20.510 1.00 0.00 N ATOM 0 H LYS A 18 -2.987 -0.586 -14.903 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.307 0.375 -15.981 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.594 1.398 -17.715 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.904 1.509 -18.168 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.001 -1.137 -17.652 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.690 -0.890 -18.050 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.982 -1.192 -20.194 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.538 0.500 -20.092 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.422 -1.140 -18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.828 -1.724 -20.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.881 -0.028 -20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.526 0.525 -21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.133 1.091 -19.874 1.00 0.00 H new ATOM 281 N GLN A 19 -2.056 2.632 -14.359 1.00 0.00 N ATOM 282 CA GLN A 19 -1.815 3.964 -13.809 1.00 0.00 C ATOM 283 C GLN A 19 -0.691 3.931 -12.777 1.00 0.00 C ATOM 284 O GLN A 19 -0.759 3.185 -11.799 1.00 0.00 O ATOM 285 CB GLN A 19 -3.092 4.524 -13.173 1.00 0.00 C ATOM 286 CG GLN A 19 -3.945 5.341 -14.129 1.00 0.00 C ATOM 287 CD GLN A 19 -4.713 6.446 -13.428 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.878 6.273 -13.067 1.00 0.00 O ATOM 289 NE2 GLN A 19 -4.063 7.589 -13.227 1.00 0.00 N ATOM 0 H GLN A 19 -2.301 1.927 -13.663 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.515 4.616 -14.629 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.687 3.697 -12.786 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.820 5.147 -12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.306 5.778 -14.897 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.648 4.681 -14.637 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.098 7.689 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.529 8.365 -12.757 1.00 0.00 H new ATOM 298 N ARG A 20 0.340 4.746 -13.004 1.00 0.00 N ATOM 299 CA ARG A 20 1.487 4.818 -12.098 1.00 0.00 C ATOM 300 C ARG A 20 1.088 5.370 -10.726 1.00 0.00 C ATOM 301 O ARG A 20 1.731 5.066 -9.721 1.00 0.00 O ATOM 302 CB ARG A 20 2.591 5.687 -12.708 1.00 0.00 C ATOM 303 CG ARG A 20 3.992 5.139 -12.480 1.00 0.00 C ATOM 304 CD ARG A 20 4.758 4.999 -13.785 1.00 0.00 C ATOM 305 NE ARG A 20 4.171 3.984 -14.662 1.00 0.00 N ATOM 306 CZ ARG A 20 4.388 3.915 -15.978 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.190 4.791 -16.579 1.00 0.00 N ATOM 308 NH2 ARG A 20 3.803 2.965 -16.698 1.00 0.00 N ATOM 0 H ARG A 20 0.404 5.367 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 20 1.860 3.804 -11.958 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.417 5.782 -13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.529 6.690 -12.285 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.537 5.801 -11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.928 4.168 -11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.772 5.959 -14.301 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.794 4.737 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 20 3.558 3.286 -14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.645 5.523 -16.034 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.349 4.730 -17.585 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.188 2.288 -16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.968 2.912 -17.703 1.00 0.00 H new ATOM 322 N VAL A 21 0.030 6.182 -10.687 1.00 0.00 N ATOM 323 CA VAL A 21 -0.443 6.766 -9.434 1.00 0.00 C ATOM 324 C VAL A 21 -1.957 6.606 -9.294 1.00 0.00 C ATOM 325 O VAL A 21 -2.707 6.834 -10.245 1.00 0.00 O ATOM 326 CB VAL A 21 -0.062 8.262 -9.330 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.652 9.055 -10.486 1.00 0.00 C ATOM 328 CG2 VAL A 21 -0.498 8.846 -7.991 1.00 0.00 C ATOM 0 H VAL A 21 -0.514 6.449 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 21 0.046 6.228 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 21 1.024 8.336 -9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.370 10.103 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.271 8.662 -11.429 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.738 8.969 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.218 9.898 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.579 8.753 -7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.009 8.304 -7.181 1.00 0.00 H new ATOM 338 N HIS A 22 -2.398 6.203 -8.101 1.00 0.00 N ATOM 339 CA HIS A 22 -3.820 6.002 -7.831 1.00 0.00 C ATOM 340 C HIS A 22 -4.163 6.363 -6.385 1.00 0.00 C ATOM 341 O HIS A 22 -3.383 6.097 -5.469 1.00 0.00 O ATOM 342 CB HIS A 22 -4.206 4.546 -8.109 1.00 0.00 C ATOM 343 CG HIS A 22 -5.065 4.371 -9.324 1.00 0.00 C ATOM 344 ND1 HIS A 22 -6.309 4.950 -9.457 1.00 0.00 N ATOM 345 CD2 HIS A 22 -4.852 3.676 -10.465 1.00 0.00 C ATOM 346 CE1 HIS A 22 -6.824 4.617 -10.627 1.00 0.00 C ATOM 347 NE2 HIS A 22 -5.959 3.846 -11.261 1.00 0.00 N ATOM 0 H HIS A 22 -1.789 6.010 -7.306 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.386 6.659 -8.491 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.298 3.955 -8.229 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.733 4.147 -7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.974 3.095 -10.706 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.789 4.923 -11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.091 3.443 -12.189 1.00 0.00 H new ATOM 356 N LYS A 23 -5.336 6.967 -6.187 1.00 0.00 N ATOM 357 CA LYS A 23 -5.783 7.359 -4.850 1.00 0.00 C ATOM 358 C LYS A 23 -6.479 6.197 -4.143 1.00 0.00 C ATOM 359 O LYS A 23 -7.208 5.426 -4.769 1.00 0.00 O ATOM 360 CB LYS A 23 -6.729 8.561 -4.931 1.00 0.00 C ATOM 361 CG LYS A 23 -6.987 9.226 -3.586 1.00 0.00 C ATOM 362 CD LYS A 23 -7.550 10.629 -3.755 1.00 0.00 C ATOM 363 CE LYS A 23 -8.997 10.711 -3.294 1.00 0.00 C ATOM 364 NZ LYS A 23 -9.560 12.080 -3.463 1.00 0.00 N ATOM 0 H LYS A 23 -5.992 7.195 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.902 7.639 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.309 9.297 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.679 8.237 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.685 8.620 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.058 9.272 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.946 11.335 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.484 10.925 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.599 9.999 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.061 10.420 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.547 12.092 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.002 12.756 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.524 12.349 -4.467 1.00 0.00 H new ATOM 378 N ILE A 24 -6.249 6.080 -2.835 1.00 0.00 N ATOM 379 CA ILE A 24 -6.855 5.014 -2.039 1.00 0.00 C ATOM 380 C ILE A 24 -7.647 5.586 -0.864 1.00 0.00 C ATOM 381 O ILE A 24 -7.224 6.558 -0.233 1.00 0.00 O ATOM 382 CB ILE A 24 -5.787 4.033 -1.505 1.00 0.00 C ATOM 383 CG1 ILE A 24 -4.855 3.580 -2.635 1.00 0.00 C ATOM 384 CG2 ILE A 24 -6.445 2.828 -0.843 1.00 0.00 C ATOM 385 CD1 ILE A 24 -5.546 2.767 -3.712 1.00 0.00 C ATOM 0 H ILE A 24 -5.647 6.710 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.534 4.472 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.192 4.555 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.401 4.459 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.045 2.987 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.675 2.150 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.063 3.163 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.068 2.308 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.821 2.484 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.977 1.869 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.337 3.363 -4.166 1.00 0.00 H new ATOM 397 N LYS A 25 -8.800 4.977 -0.578 1.00 0.00 N ATOM 398 CA LYS A 25 -9.658 5.422 0.519 1.00 0.00 C ATOM 399 C LYS A 25 -10.277 4.229 1.248 1.00 0.00 C ATOM 400 O LYS A 25 -11.067 3.480 0.669 1.00 0.00 O ATOM 401 CB LYS A 25 -10.763 6.338 -0.017 1.00 0.00 C ATOM 402 CG LYS A 25 -11.581 7.018 1.072 1.00 0.00 C ATOM 403 CD LYS A 25 -12.927 6.338 1.275 1.00 0.00 C ATOM 404 CE LYS A 25 -13.845 6.534 0.075 1.00 0.00 C ATOM 405 NZ LYS A 25 -15.076 7.300 0.426 1.00 0.00 N ATOM 0 H LYS A 25 -9.160 4.173 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.044 5.976 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.313 7.102 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.432 5.753 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.022 7.005 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.738 8.064 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.774 5.272 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.406 6.739 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.304 7.060 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.127 5.561 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.670 7.409 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.607 6.787 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.810 8.239 0.785 1.00 0.00 H new ATOM 419 N MET A 26 -9.919 4.061 2.522 1.00 0.00 N ATOM 420 CA MET A 26 -10.445 2.961 3.332 1.00 0.00 C ATOM 421 C MET A 26 -11.743 3.363 4.031 1.00 0.00 C ATOM 422 O MET A 26 -12.693 2.581 4.086 1.00 0.00 O ATOM 423 CB MET A 26 -9.413 2.514 4.371 1.00 0.00 C ATOM 424 CG MET A 26 -9.705 1.144 4.964 1.00 0.00 C ATOM 425 SD MET A 26 -8.345 0.504 5.958 1.00 0.00 S ATOM 426 CE MET A 26 -8.825 -1.216 6.124 1.00 0.00 C ATOM 0 H MET A 26 -9.268 4.672 3.015 1.00 0.00 H new ATOM 0 HA MET A 26 -10.657 2.129 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.426 2.498 3.908 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.376 3.249 5.175 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.602 1.205 5.581 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.920 0.443 4.157 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.944 -1.821 6.337 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.541 -1.317 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.283 -1.557 5.196 1.00 0.00 H new ATOM 436 N ASP A 27 -11.768 4.585 4.565 1.00 0.00 N ATOM 437 CA ASP A 27 -12.940 5.108 5.267 1.00 0.00 C ATOM 438 C ASP A 27 -13.289 4.241 6.478 1.00 0.00 C ATOM 439 O ASP A 27 -14.112 3.328 6.387 1.00 0.00 O ATOM 440 CB ASP A 27 -14.140 5.206 4.318 1.00 0.00 C ATOM 441 CG ASP A 27 -14.967 6.455 4.559 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.723 6.485 5.553 1.00 0.00 O ATOM 443 OD2 ASP A 27 -14.854 7.407 3.759 1.00 0.00 O ATOM 0 H ASP A 27 -10.983 5.235 4.524 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.696 6.108 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.786 5.201 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.771 4.326 4.442 1.00 0.00 H new ATOM 448 N LYS A 28 -12.651 4.535 7.610 1.00 0.00 N ATOM 449 CA LYS A 28 -12.886 3.787 8.842 1.00 0.00 C ATOM 450 C LYS A 28 -12.836 4.705 10.062 1.00 0.00 C ATOM 451 O LYS A 28 -13.846 4.907 10.738 1.00 0.00 O ATOM 452 CB LYS A 28 -11.855 2.661 8.981 1.00 0.00 C ATOM 453 CG LYS A 28 -12.412 1.401 9.623 1.00 0.00 C ATOM 454 CD LYS A 28 -11.880 1.208 11.035 1.00 0.00 C ATOM 455 CE LYS A 28 -12.805 1.826 12.072 1.00 0.00 C ATOM 456 NZ LYS A 28 -12.255 1.708 13.451 1.00 0.00 N ATOM 0 H LYS A 28 -11.967 5.287 7.698 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.884 3.351 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.465 2.414 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.015 3.020 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.500 1.456 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.150 0.536 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.764 0.143 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.890 1.657 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.965 2.878 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.778 1.337 12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.916 2.142 14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.126 0.704 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.338 2.196 13.502 1.00 0.00 H new ATOM 470 N GLU A 29 -11.656 5.253 10.336 1.00 0.00 N ATOM 471 CA GLU A 29 -11.465 6.149 11.475 1.00 0.00 C ATOM 472 C GLU A 29 -10.177 6.960 11.322 1.00 0.00 C ATOM 473 O GLU A 29 -9.558 6.961 10.256 1.00 0.00 O ATOM 474 CB GLU A 29 -11.427 5.340 12.778 1.00 0.00 C ATOM 475 CG GLU A 29 -12.576 5.651 13.724 1.00 0.00 C ATOM 476 CD GLU A 29 -12.439 7.011 14.380 1.00 0.00 C ATOM 477 OE1 GLU A 29 -12.711 8.025 13.704 1.00 0.00 O ATOM 478 OE2 GLU A 29 -12.052 7.061 15.566 1.00 0.00 O ATOM 0 H GLU A 29 -10.814 5.092 9.783 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.304 6.844 11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.445 4.277 12.536 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.484 5.535 13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.516 5.610 13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.625 4.883 14.496 1.00 0.00 H new ATOM 485 N ASP A 30 -9.777 7.648 12.393 1.00 0.00 N ATOM 486 CA ASP A 30 -8.560 8.456 12.375 1.00 0.00 C ATOM 487 C ASP A 30 -7.334 7.613 12.735 1.00 0.00 C ATOM 488 O ASP A 30 -6.358 7.587 11.984 1.00 0.00 O ATOM 489 CB ASP A 30 -8.682 9.641 13.339 1.00 0.00 C ATOM 490 CG ASP A 30 -8.937 10.958 12.625 1.00 0.00 C ATOM 491 OD1 ASP A 30 -9.708 10.967 11.642 1.00 0.00 O ATOM 492 OD2 ASP A 30 -8.366 11.983 13.054 1.00 0.00 O ATOM 0 H ASP A 30 -10.278 7.661 13.281 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.431 8.838 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.494 9.450 14.041 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.767 9.722 13.925 1.00 0.00 H new ATOM 497 N PRO A 31 -7.357 6.913 13.892 1.00 0.00 N ATOM 498 CA PRO A 31 -6.236 6.077 14.339 1.00 0.00 C ATOM 499 C PRO A 31 -6.121 4.771 13.543 1.00 0.00 C ATOM 500 O PRO A 31 -6.121 3.680 14.116 1.00 0.00 O ATOM 501 CB PRO A 31 -6.558 5.785 15.818 1.00 0.00 C ATOM 502 CG PRO A 31 -7.752 6.622 16.155 1.00 0.00 C ATOM 503 CD PRO A 31 -8.462 6.880 14.860 1.00 0.00 C ATOM 0 HA PRO A 31 -5.280 6.579 14.194 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.769 4.726 15.969 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.712 6.036 16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.403 6.105 16.860 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.451 7.557 16.627 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.181 6.094 14.628 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.013 7.821 14.880 1.00 0.00 H new ATOM 511 N VAL A 32 -6.016 4.891 12.220 1.00 0.00 N ATOM 512 CA VAL A 32 -5.892 3.725 11.347 1.00 0.00 C ATOM 513 C VAL A 32 -4.427 3.457 11.013 1.00 0.00 C ATOM 514 O VAL A 32 -3.728 4.340 10.518 1.00 0.00 O ATOM 515 CB VAL A 32 -6.683 3.918 10.034 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.687 2.638 9.209 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.103 4.372 10.331 1.00 0.00 C ATOM 0 H VAL A 32 -6.014 5.785 11.729 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.306 2.872 11.885 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.189 4.693 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.250 2.799 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.662 2.361 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.152 1.837 9.783 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.646 4.503 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.605 3.620 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.077 5.318 10.871 1.00 0.00 H new ATOM 527 N THR A 33 -3.964 2.239 11.289 1.00 0.00 N ATOM 528 CA THR A 33 -2.575 1.870 11.015 1.00 0.00 C ATOM 529 C THR A 33 -2.370 1.558 9.535 1.00 0.00 C ATOM 530 O THR A 33 -3.307 1.170 8.837 1.00 0.00 O ATOM 531 CB THR A 33 -2.154 0.670 11.870 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.248 -0.204 12.093 1.00 0.00 O ATOM 533 CG2 THR A 33 -1.597 1.068 13.221 1.00 0.00 C ATOM 0 H THR A 33 -4.526 1.494 11.700 1.00 0.00 H new ATOM 0 HA THR A 33 -1.948 2.723 11.275 1.00 0.00 H new ATOM 0 HB THR A 33 -1.368 0.173 11.301 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.954 -0.963 12.639 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.318 0.173 13.777 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.718 1.697 13.081 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.354 1.620 13.778 1.00 0.00 H new ATOM 541 N VAL A 34 -1.136 1.737 9.066 1.00 0.00 N ATOM 542 CA VAL A 34 -0.795 1.481 7.666 1.00 0.00 C ATOM 543 C VAL A 34 -1.147 0.051 7.250 1.00 0.00 C ATOM 544 O VAL A 34 -1.545 -0.186 6.106 1.00 0.00 O ATOM 545 CB VAL A 34 0.697 1.751 7.397 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.575 0.735 8.108 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.984 1.767 5.902 1.00 0.00 C ATOM 0 H VAL A 34 -0.354 2.059 9.636 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.390 2.169 7.066 1.00 0.00 H new ATOM 0 HB VAL A 34 0.936 2.736 7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.623 0.951 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.400 0.791 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.333 -0.267 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.044 1.960 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.719 0.802 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.395 2.551 5.427 1.00 0.00 H new ATOM 557 N GLY A 35 -1.022 -0.893 8.187 1.00 0.00 N ATOM 558 CA GLY A 35 -1.357 -2.276 7.897 1.00 0.00 C ATOM 559 C GLY A 35 -2.787 -2.419 7.401 1.00 0.00 C ATOM 560 O GLY A 35 -3.099 -3.335 6.640 1.00 0.00 O ATOM 0 H GLY A 35 -0.695 -0.722 9.138 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.671 -2.666 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.222 -2.879 8.795 1.00 0.00 H new ATOM 564 N ASP A 36 -3.652 -1.490 7.824 1.00 0.00 N ATOM 565 CA ASP A 36 -5.054 -1.493 7.414 1.00 0.00 C ATOM 566 C ASP A 36 -5.184 -1.077 5.950 1.00 0.00 C ATOM 567 O ASP A 36 -5.966 -1.659 5.199 1.00 0.00 O ATOM 568 CB ASP A 36 -5.877 -0.552 8.306 1.00 0.00 C ATOM 569 CG ASP A 36 -6.965 -1.276 9.081 1.00 0.00 C ATOM 570 OD1 ASP A 36 -6.747 -2.443 9.470 1.00 0.00 O ATOM 571 OD2 ASP A 36 -8.037 -0.672 9.301 1.00 0.00 O ATOM 0 H ASP A 36 -3.401 -0.726 8.452 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.441 -2.506 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.211 -0.049 9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.332 0.222 7.688 1.00 0.00 H new ATOM 576 N LEU A 37 -4.398 -0.074 5.551 1.00 0.00 N ATOM 577 CA LEU A 37 -4.407 0.415 4.174 1.00 0.00 C ATOM 578 C LEU A 37 -4.146 -0.732 3.202 1.00 0.00 C ATOM 579 O LEU A 37 -4.923 -0.958 2.272 1.00 0.00 O ATOM 580 CB LEU A 37 -3.350 1.511 3.991 1.00 0.00 C ATOM 581 CG LEU A 37 -3.647 2.542 2.895 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.996 1.855 1.582 1.00 0.00 C ATOM 583 CD2 LEU A 37 -4.771 3.474 3.328 1.00 0.00 C ATOM 0 H LEU A 37 -3.747 0.415 6.165 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.390 0.837 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.231 2.038 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.395 1.036 3.769 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.747 3.137 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.202 2.608 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.158 1.235 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.878 1.229 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.968 4.199 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.673 2.892 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.478 3.999 4.237 1.00 0.00 H new ATOM 595 N ILE A 38 -3.057 -1.467 3.434 1.00 0.00 N ATOM 596 CA ILE A 38 -2.712 -2.605 2.584 1.00 0.00 C ATOM 597 C ILE A 38 -3.831 -3.643 2.617 1.00 0.00 C ATOM 598 O ILE A 38 -4.193 -4.214 1.587 1.00 0.00 O ATOM 599 CB ILE A 38 -1.383 -3.269 3.015 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.260 -2.228 3.092 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.003 -4.385 2.047 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.840 -2.590 4.068 1.00 0.00 C ATOM 0 H ILE A 38 -2.404 -1.295 4.198 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.586 -2.225 1.570 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.524 -3.701 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.174 -2.101 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.687 -1.267 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.066 -4.840 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.788 -5.141 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.883 -3.973 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.599 -1.807 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.420 -2.689 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.294 -3.535 3.770 1.00 0.00 H new ATOM 614 N ASP A 39 -4.380 -3.872 3.812 1.00 0.00 N ATOM 615 CA ASP A 39 -5.468 -4.831 3.991 1.00 0.00 C ATOM 616 C ASP A 39 -6.693 -4.426 3.179 1.00 0.00 C ATOM 617 O ASP A 39 -7.362 -5.274 2.594 1.00 0.00 O ATOM 618 CB ASP A 39 -5.851 -4.944 5.469 1.00 0.00 C ATOM 619 CG ASP A 39 -6.323 -6.338 5.835 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.379 -6.764 5.319 1.00 0.00 O ATOM 621 OD2 ASP A 39 -5.637 -7.004 6.635 1.00 0.00 O ATOM 0 H ASP A 39 -4.087 -3.405 4.670 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.115 -5.799 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.992 -4.680 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.639 -4.225 5.694 1.00 0.00 H new ATOM 626 N HIS A 40 -6.982 -3.125 3.153 1.00 0.00 N ATOM 627 CA HIS A 40 -8.132 -2.608 2.415 1.00 0.00 C ATOM 628 C HIS A 40 -8.046 -2.968 0.934 1.00 0.00 C ATOM 629 O HIS A 40 -9.022 -3.430 0.342 1.00 0.00 O ATOM 630 CB HIS A 40 -8.232 -1.089 2.576 1.00 0.00 C ATOM 631 CG HIS A 40 -9.426 -0.492 1.895 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.720 -0.890 2.159 1.00 0.00 N ATOM 633 CD2 HIS A 40 -9.519 0.483 0.960 1.00 0.00 C ATOM 634 CE1 HIS A 40 -11.555 -0.187 1.416 1.00 0.00 C ATOM 635 NE2 HIS A 40 -10.853 0.658 0.680 1.00 0.00 N ATOM 0 H HIS A 40 -6.435 -2.411 3.634 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.028 -3.071 2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.270 -0.846 3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.328 -0.629 2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.696 1.024 0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.630 -0.286 1.410 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.238 1.329 0.015 1.00 0.00 H new ATOM 644 N ILE A 41 -6.871 -2.753 0.345 1.00 0.00 N ATOM 645 CA ILE A 41 -6.650 -3.053 -1.067 1.00 0.00 C ATOM 646 C ILE A 41 -6.801 -4.550 -1.347 1.00 0.00 C ATOM 647 O ILE A 41 -7.186 -4.948 -2.444 1.00 0.00 O ATOM 648 CB ILE A 41 -5.249 -2.598 -1.530 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.010 -1.127 -1.172 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.089 -2.815 -3.028 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.546 -0.769 -1.031 1.00 0.00 C ATOM 0 H ILE A 41 -6.056 -2.371 0.826 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.407 -2.502 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.504 -3.200 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.457 -0.497 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.523 -0.901 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.096 -2.489 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.212 -3.873 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.844 -2.238 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.452 0.287 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.098 -1.373 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.032 -0.963 -1.972 1.00 0.00 H new ATOM 663 N VAL A 42 -6.486 -5.373 -0.351 1.00 0.00 N ATOM 664 CA VAL A 42 -6.578 -6.824 -0.497 1.00 0.00 C ATOM 665 C VAL A 42 -7.893 -7.380 0.066 1.00 0.00 C ATOM 666 O VAL A 42 -8.161 -8.576 -0.050 1.00 0.00 O ATOM 667 CB VAL A 42 -5.393 -7.516 0.213 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.405 -9.020 -0.035 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.073 -6.905 -0.237 1.00 0.00 C ATOM 0 H VAL A 42 -6.165 -5.061 0.566 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.547 -7.035 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.501 -7.355 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.560 -9.480 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.334 -9.444 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.330 -9.213 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.249 -7.404 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.963 -7.030 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.061 -5.843 0.008 1.00 0.00 H new ATOM 679 N SER A 43 -8.705 -6.520 0.685 1.00 0.00 N ATOM 680 CA SER A 43 -9.969 -6.954 1.272 1.00 0.00 C ATOM 681 C SER A 43 -11.158 -6.640 0.360 1.00 0.00 C ATOM 682 O SER A 43 -11.729 -7.543 -0.256 1.00 0.00 O ATOM 683 CB SER A 43 -10.161 -6.302 2.647 1.00 0.00 C ATOM 684 OG SER A 43 -9.718 -7.164 3.687 1.00 0.00 O ATOM 0 H SER A 43 -8.509 -5.525 0.791 1.00 0.00 H new ATOM 0 HA SER A 43 -9.927 -8.037 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.609 -5.363 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.213 -6.060 2.795 1.00 0.00 H new ATOM 0 HG SER A 43 -8.907 -6.795 4.095 1.00 0.00 H new ATOM 690 N THR A 44 -11.535 -5.364 0.285 1.00 0.00 N ATOM 691 CA THR A 44 -12.668 -4.942 -0.543 1.00 0.00 C ATOM 692 C THR A 44 -12.233 -4.649 -1.979 1.00 0.00 C ATOM 693 O THR A 44 -12.894 -5.067 -2.932 1.00 0.00 O ATOM 694 CB THR A 44 -13.337 -3.705 0.069 1.00 0.00 C ATOM 695 OG1 THR A 44 -13.743 -3.964 1.401 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.558 -3.232 -0.695 1.00 0.00 C ATOM 0 H THR A 44 -11.074 -4.604 0.786 1.00 0.00 H new ATOM 0 HA THR A 44 -13.386 -5.762 -0.572 1.00 0.00 H new ATOM 0 HB THR A 44 -12.579 -2.923 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.166 -3.163 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.977 -2.354 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.272 -2.975 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.304 -4.027 -0.717 1.00 0.00 H new ATOM 704 N MET A 45 -11.123 -3.926 -2.126 1.00 0.00 N ATOM 705 CA MET A 45 -10.601 -3.573 -3.445 1.00 0.00 C ATOM 706 C MET A 45 -10.394 -4.821 -4.306 1.00 0.00 C ATOM 707 O MET A 45 -10.870 -4.883 -5.440 1.00 0.00 O ATOM 708 CB MET A 45 -9.285 -2.799 -3.306 1.00 0.00 C ATOM 709 CG MET A 45 -9.092 -1.718 -4.358 1.00 0.00 C ATOM 710 SD MET A 45 -8.916 -0.073 -3.640 1.00 0.00 S ATOM 711 CE MET A 45 -8.741 0.927 -5.116 1.00 0.00 C ATOM 0 H MET A 45 -10.568 -3.573 -1.347 1.00 0.00 H new ATOM 0 HA MET A 45 -11.334 -2.937 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.247 -2.341 -2.318 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.454 -3.502 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.207 -1.948 -4.951 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.943 -1.724 -5.039 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.623 1.973 -4.835 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.864 0.600 -5.675 1.00 0.00 H new ATOM 0 HE3 MET A 45 -9.629 0.817 -5.738 1.00 0.00 H new ATOM 721 N ILE A 46 -9.683 -5.811 -3.761 1.00 0.00 N ATOM 722 CA ILE A 46 -9.418 -7.051 -4.482 1.00 0.00 C ATOM 723 C ILE A 46 -9.948 -8.259 -3.712 1.00 0.00 C ATOM 724 O ILE A 46 -10.013 -8.239 -2.483 1.00 0.00 O ATOM 725 CB ILE A 46 -7.909 -7.239 -4.723 1.00 0.00 C ATOM 726 CG1 ILE A 46 -7.297 -5.981 -5.341 1.00 0.00 C ATOM 727 CG2 ILE A 46 -7.665 -8.443 -5.617 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.864 -5.736 -4.923 1.00 0.00 C ATOM 0 H ILE A 46 -9.282 -5.775 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.932 -6.979 -5.441 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.427 -7.414 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.341 -6.062 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.901 -5.118 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.594 -8.565 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.063 -9.338 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.162 -8.292 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.496 -4.827 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.815 -5.623 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.247 -6.581 -5.228 1.00 0.00 H new ATOM 740 N ASN A 47 -10.321 -9.314 -4.443 1.00 0.00 N ATOM 741 CA ASN A 47 -10.840 -10.532 -3.820 1.00 0.00 C ATOM 742 C ASN A 47 -10.751 -11.729 -4.772 1.00 0.00 C ATOM 743 O ASN A 47 -11.773 -12.278 -5.191 1.00 0.00 O ATOM 744 CB ASN A 47 -12.293 -10.324 -3.364 1.00 0.00 C ATOM 745 CG ASN A 47 -13.204 -9.841 -4.482 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.995 -8.769 -5.049 1.00 0.00 O ATOM 747 ND2 ASN A 47 -14.225 -10.631 -4.803 1.00 0.00 N ATOM 0 H ASN A 47 -10.273 -9.348 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.222 -10.748 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.681 -11.262 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.312 -9.600 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -14.870 -10.356 -5.544 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.363 -11.512 -4.308 1.00 0.00 H new ATOM 754 N ASN A 48 -9.524 -12.136 -5.112 1.00 0.00 N ATOM 755 CA ASN A 48 -9.319 -13.271 -6.013 1.00 0.00 C ATOM 756 C ASN A 48 -7.843 -13.684 -6.073 1.00 0.00 C ATOM 757 O ASN A 48 -6.953 -12.830 -6.122 1.00 0.00 O ATOM 758 CB ASN A 48 -9.827 -12.925 -7.416 1.00 0.00 C ATOM 759 CG ASN A 48 -10.482 -14.108 -8.101 1.00 0.00 C ATOM 760 OD1 ASN A 48 -11.276 -14.828 -7.495 1.00 0.00 O ATOM 761 ND2 ASN A 48 -10.153 -14.318 -9.370 1.00 0.00 N ATOM 0 H ASN A 48 -8.664 -11.699 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.885 -14.116 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.543 -12.106 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.994 -12.572 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.563 -15.100 -9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.491 -13.697 -9.835 1.00 0.00 H new ATOM 768 N PRO A 49 -7.561 -15.007 -6.073 1.00 0.00 N ATOM 769 CA PRO A 49 -6.187 -15.527 -6.129 1.00 0.00 C ATOM 770 C PRO A 49 -5.559 -15.381 -7.517 1.00 0.00 C ATOM 771 O PRO A 49 -5.425 -16.357 -8.257 1.00 0.00 O ATOM 772 CB PRO A 49 -6.352 -17.006 -5.773 1.00 0.00 C ATOM 773 CG PRO A 49 -7.733 -17.344 -6.214 1.00 0.00 C ATOM 774 CD PRO A 49 -8.557 -16.098 -6.016 1.00 0.00 C ATOM 0 HA PRO A 49 -5.522 -14.982 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.611 -17.622 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.225 -17.173 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.742 -17.654 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.135 -18.173 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.314 -15.991 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.081 -16.112 -5.060 1.00 0.00 H new ATOM 782 N ASN A 50 -5.171 -14.155 -7.856 1.00 0.00 N ATOM 783 CA ASN A 50 -4.546 -13.862 -9.147 1.00 0.00 C ATOM 784 C ASN A 50 -3.904 -12.477 -9.128 1.00 0.00 C ATOM 785 O ASN A 50 -2.794 -12.293 -9.628 1.00 0.00 O ATOM 786 CB ASN A 50 -5.564 -13.958 -10.291 1.00 0.00 C ATOM 787 CG ASN A 50 -6.751 -13.031 -10.108 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.159 -12.743 -8.986 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.313 -12.556 -11.215 1.00 0.00 N ATOM 0 H ASN A 50 -5.279 -13.341 -7.251 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.770 -14.608 -9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.068 -13.722 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.921 -14.985 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.114 -11.928 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.943 -12.820 -12.128 1.00 0.00 H new ATOM 796 N ASP A 51 -4.607 -11.509 -8.535 1.00 0.00 N ATOM 797 CA ASP A 51 -4.108 -10.142 -8.430 1.00 0.00 C ATOM 798 C ASP A 51 -3.547 -9.874 -7.033 1.00 0.00 C ATOM 799 O ASP A 51 -2.547 -9.171 -6.880 1.00 0.00 O ATOM 800 CB ASP A 51 -5.212 -9.123 -8.758 1.00 0.00 C ATOM 801 CG ASP A 51 -6.623 -9.595 -8.425 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.786 -10.401 -7.485 1.00 0.00 O ATOM 803 OD2 ASP A 51 -7.569 -9.149 -9.105 1.00 0.00 O ATOM 0 H ASP A 51 -5.528 -11.651 -8.119 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.305 -10.027 -9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.012 -8.201 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.164 -8.882 -9.820 1.00 0.00 H new ATOM 808 N VAL A 52 -4.197 -10.437 -6.015 1.00 0.00 N ATOM 809 CA VAL A 52 -3.765 -10.257 -4.635 1.00 0.00 C ATOM 810 C VAL A 52 -2.637 -11.225 -4.272 1.00 0.00 C ATOM 811 O VAL A 52 -1.747 -10.883 -3.494 1.00 0.00 O ATOM 812 CB VAL A 52 -4.954 -10.441 -3.664 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.508 -11.015 -2.330 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.673 -9.121 -3.460 1.00 0.00 C ATOM 0 H VAL A 52 -5.026 -11.022 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.384 -9.240 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.643 -11.156 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.372 -11.129 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.043 -11.988 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.788 -10.340 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.508 -9.264 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.981 -8.390 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.047 -8.759 -4.417 1.00 0.00 H new ATOM 824 N SER A 53 -2.681 -12.434 -4.838 1.00 0.00 N ATOM 825 CA SER A 53 -1.664 -13.453 -4.574 1.00 0.00 C ATOM 826 C SER A 53 -0.247 -12.903 -4.771 1.00 0.00 C ATOM 827 O SER A 53 0.687 -13.326 -4.091 1.00 0.00 O ATOM 828 CB SER A 53 -1.884 -14.665 -5.480 1.00 0.00 C ATOM 829 OG SER A 53 -2.746 -15.609 -4.868 1.00 0.00 O ATOM 0 H SER A 53 -3.413 -12.731 -5.484 1.00 0.00 H new ATOM 0 HA SER A 53 -1.763 -13.756 -3.532 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.310 -14.341 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.926 -15.134 -5.704 1.00 0.00 H new ATOM 0 HG SER A 53 -2.872 -16.374 -5.468 1.00 0.00 H new ATOM 835 N ILE A 54 -0.092 -11.959 -5.702 1.00 0.00 N ATOM 836 CA ILE A 54 1.215 -11.360 -5.973 1.00 0.00 C ATOM 837 C ILE A 54 1.553 -10.287 -4.935 1.00 0.00 C ATOM 838 O ILE A 54 2.664 -10.250 -4.407 1.00 0.00 O ATOM 839 CB ILE A 54 1.275 -10.736 -7.385 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.785 -11.735 -8.440 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.694 -10.280 -7.703 1.00 0.00 C ATOM 842 CD1 ILE A 54 -0.167 -11.131 -9.450 1.00 0.00 C ATOM 0 H ILE A 54 -0.851 -11.595 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 54 1.948 -12.165 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 54 0.617 -9.867 -7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.646 -12.147 -8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.290 -12.567 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.721 -9.843 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.009 -9.536 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.368 -11.135 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.472 -11.895 -10.165 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.046 -10.744 -8.935 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.331 -10.318 -9.978 1.00 0.00 H new ATOM 854 N PHE A 55 0.584 -9.417 -4.655 1.00 0.00 N ATOM 855 CA PHE A 55 0.766 -8.336 -3.685 1.00 0.00 C ATOM 856 C PHE A 55 0.937 -8.884 -2.266 1.00 0.00 C ATOM 857 O PHE A 55 1.847 -8.476 -1.542 1.00 0.00 O ATOM 858 CB PHE A 55 -0.433 -7.382 -3.742 1.00 0.00 C ATOM 859 CG PHE A 55 -0.238 -6.096 -2.984 1.00 0.00 C ATOM 860 CD1 PHE A 55 0.879 -5.303 -3.204 1.00 0.00 C ATOM 861 CD2 PHE A 55 -1.179 -5.676 -2.058 1.00 0.00 C ATOM 862 CE1 PHE A 55 1.052 -4.119 -2.512 1.00 0.00 C ATOM 863 CE2 PHE A 55 -1.011 -4.494 -1.363 1.00 0.00 C ATOM 864 CZ PHE A 55 0.105 -3.714 -1.591 1.00 0.00 C ATOM 0 H PHE A 55 -0.339 -9.439 -5.088 1.00 0.00 H new ATOM 0 HA PHE A 55 1.675 -7.793 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.646 -7.147 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.309 -7.895 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.622 -5.614 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.055 -6.281 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.927 -3.511 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.752 -4.181 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.238 -2.789 -1.050 1.00 0.00 H new ATOM 874 N ILE A 56 0.054 -9.806 -1.873 1.00 0.00 N ATOM 875 CA ILE A 56 0.101 -10.407 -0.540 1.00 0.00 C ATOM 876 C ILE A 56 0.051 -11.934 -0.617 1.00 0.00 C ATOM 877 O ILE A 56 -0.644 -12.501 -1.462 1.00 0.00 O ATOM 878 CB ILE A 56 -1.069 -9.913 0.344 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.184 -8.385 0.292 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.893 -10.387 1.781 1.00 0.00 C ATOM 881 CD1 ILE A 56 0.034 -7.658 0.823 1.00 0.00 C ATOM 0 H ILE A 56 -0.703 -10.152 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 56 1.045 -10.099 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.993 -10.338 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.356 -8.079 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.058 -8.077 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.726 -10.029 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.869 -11.476 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.042 -9.995 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.125 -6.582 0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.196 -7.933 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.908 -7.935 0.234 1.00 0.00 H new ATOM 893 N GLU A 57 0.787 -12.593 0.279 1.00 0.00 N ATOM 894 CA GLU A 57 0.825 -14.052 0.321 1.00 0.00 C ATOM 895 C GLU A 57 0.760 -14.558 1.760 1.00 0.00 C ATOM 896 O GLU A 57 1.536 -14.123 2.613 1.00 0.00 O ATOM 897 CB GLU A 57 2.092 -14.571 -0.361 1.00 0.00 C ATOM 898 CG GLU A 57 1.832 -15.686 -1.359 1.00 0.00 C ATOM 899 CD GLU A 57 1.613 -17.027 -0.687 1.00 0.00 C ATOM 900 OE1 GLU A 57 0.458 -17.326 -0.322 1.00 0.00 O ATOM 901 OE2 GLU A 57 2.597 -17.778 -0.525 1.00 0.00 O ATOM 0 H GLU A 57 1.365 -12.137 0.985 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.046 -14.429 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.584 -13.744 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.783 -14.931 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.956 -15.436 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.676 -15.760 -2.044 1.00 0.00 H new ATOM 908 N ASP A 58 -0.176 -15.474 2.024 1.00 0.00 N ATOM 909 CA ASP A 58 -0.354 -16.037 3.363 1.00 0.00 C ATOM 910 C ASP A 58 -0.648 -14.926 4.376 1.00 0.00 C ATOM 911 O ASP A 58 -0.070 -14.891 5.463 1.00 0.00 O ATOM 912 CB ASP A 58 0.892 -16.827 3.783 1.00 0.00 C ATOM 913 CG ASP A 58 0.582 -17.908 4.801 1.00 0.00 C ATOM 914 OD1 ASP A 58 0.032 -18.957 4.404 1.00 0.00 O ATOM 915 OD2 ASP A 58 0.892 -17.709 5.994 1.00 0.00 O ATOM 0 H ASP A 58 -0.823 -15.841 1.326 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.204 -16.719 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.343 -17.282 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.629 -16.141 4.200 1.00 0.00 H new ATOM 920 N ASP A 59 -1.550 -14.013 4.001 1.00 0.00 N ATOM 921 CA ASP A 59 -1.925 -12.888 4.861 1.00 0.00 C ATOM 922 C ASP A 59 -0.693 -12.092 5.309 1.00 0.00 C ATOM 923 O ASP A 59 -0.657 -11.556 6.418 1.00 0.00 O ATOM 924 CB ASP A 59 -2.702 -13.387 6.084 1.00 0.00 C ATOM 925 CG ASP A 59 -4.158 -13.679 5.771 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.454 -14.803 5.315 1.00 0.00 O ATOM 927 OD2 ASP A 59 -5.003 -12.784 5.984 1.00 0.00 O ATOM 0 H ASP A 59 -2.035 -14.032 3.104 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.564 -12.223 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.228 -14.291 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.647 -12.639 6.875 1.00 0.00 H new ATOM 932 N SER A 60 0.316 -12.015 4.438 1.00 0.00 N ATOM 933 CA SER A 60 1.541 -11.284 4.746 1.00 0.00 C ATOM 934 C SER A 60 2.178 -10.728 3.475 1.00 0.00 C ATOM 935 O SER A 60 2.107 -11.350 2.413 1.00 0.00 O ATOM 936 CB SER A 60 2.533 -12.192 5.478 1.00 0.00 C ATOM 937 OG SER A 60 2.271 -12.215 6.871 1.00 0.00 O ATOM 0 H SER A 60 0.306 -12.450 3.516 1.00 0.00 H new ATOM 0 HA SER A 60 1.282 -10.447 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.470 -13.203 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.550 -11.842 5.302 1.00 0.00 H new ATOM 0 HG SER A 60 1.324 -12.018 7.029 1.00 0.00 H new ATOM 943 N ILE A 61 2.798 -9.553 3.588 1.00 0.00 N ATOM 944 CA ILE A 61 3.443 -8.911 2.443 1.00 0.00 C ATOM 945 C ILE A 61 4.608 -9.752 1.922 1.00 0.00 C ATOM 946 O ILE A 61 5.223 -10.513 2.671 1.00 0.00 O ATOM 947 CB ILE A 61 3.954 -7.494 2.791 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.838 -6.668 3.435 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.473 -6.792 1.543 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.146 -6.230 4.851 1.00 0.00 C ATOM 0 H ILE A 61 2.867 -9.027 4.459 1.00 0.00 H new ATOM 0 HA ILE A 61 2.684 -8.826 1.666 1.00 0.00 H new ATOM 0 HB ILE A 61 4.774 -7.590 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.652 -5.785 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.919 -7.254 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.829 -5.796 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.293 -7.369 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.669 -6.708 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.310 -5.650 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.303 -7.108 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.047 -5.617 4.854 1.00 0.00 H new ATOM 962 N ARG A 62 4.903 -9.605 0.630 1.00 0.00 N ATOM 963 CA ARG A 62 5.992 -10.348 -0.002 1.00 0.00 C ATOM 964 C ARG A 62 7.293 -9.545 0.031 1.00 0.00 C ATOM 965 O ARG A 62 7.292 -8.339 -0.222 1.00 0.00 O ATOM 966 CB ARG A 62 5.634 -10.691 -1.452 1.00 0.00 C ATOM 967 CG ARG A 62 6.645 -11.605 -2.130 1.00 0.00 C ATOM 968 CD ARG A 62 6.302 -11.837 -3.595 1.00 0.00 C ATOM 969 NE ARG A 62 7.498 -11.987 -4.425 1.00 0.00 N ATOM 970 CZ ARG A 62 7.492 -12.496 -5.662 1.00 0.00 C ATOM 971 NH1 ARG A 62 6.354 -12.900 -6.219 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.627 -12.598 -6.344 1.00 0.00 N ATOM 0 H ARG A 62 4.402 -8.978 0.001 1.00 0.00 H new ATOM 0 HA ARG A 62 6.138 -11.271 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.654 -11.169 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.550 -9.767 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.640 -11.166 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.678 -12.561 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.685 -12.731 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.708 -11.001 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 62 8.391 -11.685 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.478 -12.823 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.357 -13.287 -7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.504 -12.288 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.622 -12.986 -7.287 1.00 0.00 H new ATOM 986 N PRO A 63 8.428 -10.208 0.337 1.00 0.00 N ATOM 987 CA PRO A 63 9.738 -9.549 0.391 1.00 0.00 C ATOM 988 C PRO A 63 10.191 -9.069 -0.986 1.00 0.00 C ATOM 989 O PRO A 63 10.690 -9.855 -1.796 1.00 0.00 O ATOM 990 CB PRO A 63 10.675 -10.641 0.918 1.00 0.00 C ATOM 991 CG PRO A 63 9.999 -11.924 0.575 1.00 0.00 C ATOM 992 CD PRO A 63 8.523 -11.649 0.647 1.00 0.00 C ATOM 0 HA PRO A 63 9.722 -8.657 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.659 -10.576 0.453 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.824 -10.548 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.285 -12.261 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.283 -12.713 1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.966 -12.252 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.120 -11.875 1.634 1.00 0.00 H new ATOM 1000 N GLY A 64 10.004 -7.777 -1.248 1.00 0.00 N ATOM 1001 CA GLY A 64 10.388 -7.212 -2.530 1.00 0.00 C ATOM 1002 C GLY A 64 9.684 -5.897 -2.822 1.00 0.00 C ATOM 1003 O GLY A 64 10.269 -4.998 -3.429 1.00 0.00 O ATOM 0 H GLY A 64 9.593 -7.111 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.466 -7.054 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.159 -7.926 -3.321 1.00 0.00 H new ATOM 1007 N ILE A 65 8.427 -5.785 -2.388 1.00 0.00 N ATOM 1008 CA ILE A 65 7.646 -4.570 -2.603 1.00 0.00 C ATOM 1009 C ILE A 65 8.235 -3.399 -1.821 1.00 0.00 C ATOM 1010 O ILE A 65 8.576 -3.532 -0.644 1.00 0.00 O ATOM 1011 CB ILE A 65 6.166 -4.754 -2.190 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.572 -6.013 -2.834 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.350 -3.526 -2.573 1.00 0.00 C ATOM 1014 CD1 ILE A 65 4.701 -6.815 -1.892 1.00 0.00 C ATOM 0 H ILE A 65 7.930 -6.521 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 65 7.687 -4.358 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 65 6.127 -4.874 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.983 -5.724 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.383 -6.645 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.312 -3.672 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.753 -2.649 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.401 -3.377 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.314 -7.691 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.292 -7.134 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.869 -6.198 -1.551 1.00 0.00 H new ATOM 1026 N ILE A 66 8.348 -2.255 -2.488 1.00 0.00 N ATOM 1027 CA ILE A 66 8.893 -1.052 -1.872 1.00 0.00 C ATOM 1028 C ILE A 66 7.774 -0.093 -1.469 1.00 0.00 C ATOM 1029 O ILE A 66 7.021 0.382 -2.319 1.00 0.00 O ATOM 1030 CB ILE A 66 9.862 -0.331 -2.832 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.047 -1.236 -3.184 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.353 0.975 -2.220 1.00 0.00 C ATOM 1033 CD1 ILE A 66 11.841 -1.701 -1.980 1.00 0.00 C ATOM 0 H ILE A 66 8.067 -2.136 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 66 9.439 -1.360 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 66 9.322 -0.099 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.678 -2.109 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.712 -0.701 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.035 1.468 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.502 1.627 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.874 0.766 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.663 -2.337 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.241 -0.836 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.191 -2.265 -1.311 1.00 0.00 H new ATOM 1045 N THR A 67 7.676 0.189 -0.168 1.00 0.00 N ATOM 1046 CA THR A 67 6.651 1.094 0.347 1.00 0.00 C ATOM 1047 C THR A 67 7.284 2.277 1.087 1.00 0.00 C ATOM 1048 O THR A 67 7.553 2.203 2.288 1.00 0.00 O ATOM 1049 CB THR A 67 5.678 0.338 1.266 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.752 1.231 1.861 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.361 -0.426 2.382 1.00 0.00 C ATOM 0 H THR A 67 8.294 -0.197 0.546 1.00 0.00 H new ATOM 0 HA THR A 67 6.091 1.489 -0.501 1.00 0.00 H new ATOM 0 HB THR A 67 5.177 -0.380 0.617 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.141 0.730 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.610 -0.933 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.041 -1.163 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.923 0.268 3.007 1.00 0.00 H new ATOM 1059 N LEU A 68 7.521 3.366 0.357 1.00 0.00 N ATOM 1060 CA LEU A 68 8.124 4.564 0.936 1.00 0.00 C ATOM 1061 C LEU A 68 7.068 5.631 1.223 1.00 0.00 C ATOM 1062 O LEU A 68 6.354 6.068 0.319 1.00 0.00 O ATOM 1063 CB LEU A 68 9.189 5.127 -0.009 1.00 0.00 C ATOM 1064 CG LEU A 68 10.475 4.304 -0.113 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.406 4.913 -1.151 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.166 4.215 1.241 1.00 0.00 C ATOM 0 H LEU A 68 7.304 3.443 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 68 8.591 4.283 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.755 5.219 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.447 6.133 0.320 1.00 0.00 H new ATOM 0 HG LEU A 68 10.216 3.293 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.317 4.319 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.911 4.925 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.658 5.933 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.078 3.626 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.416 5.217 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.499 3.738 1.959 1.00 0.00 H new ATOM 1078 N ILE A 69 6.978 6.046 2.487 1.00 0.00 N ATOM 1079 CA ILE A 69 6.013 7.063 2.898 1.00 0.00 C ATOM 1080 C ILE A 69 6.687 8.430 3.038 1.00 0.00 C ATOM 1081 O ILE A 69 7.450 8.661 3.977 1.00 0.00 O ATOM 1082 CB ILE A 69 5.337 6.693 4.239 1.00 0.00 C ATOM 1083 CG1 ILE A 69 4.804 5.256 4.198 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.213 7.671 4.561 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.032 4.487 5.484 1.00 0.00 C ATOM 0 H ILE A 69 7.563 5.692 3.244 1.00 0.00 H new ATOM 0 HA ILE A 69 5.251 7.111 2.120 1.00 0.00 H new ATOM 0 HB ILE A 69 6.086 6.758 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.736 5.280 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.283 4.723 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.750 7.394 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.619 8.680 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.465 7.640 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.629 3.479 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.101 4.431 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.530 4.996 6.306 1.00 0.00 H new ATOM 1097 N ASN A 70 6.399 9.331 2.094 1.00 0.00 N ATOM 1098 CA ASN A 70 6.970 10.681 2.098 1.00 0.00 C ATOM 1099 C ASN A 70 8.499 10.631 2.047 1.00 0.00 C ATOM 1100 O ASN A 70 9.179 11.235 2.879 1.00 0.00 O ATOM 1101 CB ASN A 70 6.502 11.455 3.336 1.00 0.00 C ATOM 1102 CG ASN A 70 6.390 12.947 3.081 1.00 0.00 C ATOM 1103 OD1 ASN A 70 7.265 13.722 3.467 1.00 0.00 O ATOM 1104 ND2 ASN A 70 5.308 13.360 2.427 1.00 0.00 N ATOM 0 H ASN A 70 5.770 9.148 1.313 1.00 0.00 H new ATOM 0 HA ASN A 70 6.618 11.200 1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.533 11.071 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.200 11.281 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.180 14.352 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.606 12.685 2.124 1.00 0.00 H new ATOM 1111 N ASP A 71 9.031 9.901 1.064 1.00 0.00 N ATOM 1112 CA ASP A 71 10.478 9.758 0.896 1.00 0.00 C ATOM 1113 C ASP A 71 11.123 9.163 2.151 1.00 0.00 C ATOM 1114 O ASP A 71 12.280 9.451 2.465 1.00 0.00 O ATOM 1115 CB ASP A 71 11.114 11.111 0.560 1.00 0.00 C ATOM 1116 CG ASP A 71 11.332 11.292 -0.929 1.00 0.00 C ATOM 1117 OD1 ASP A 71 12.352 10.789 -1.447 1.00 0.00 O ATOM 1118 OD2 ASP A 71 10.479 11.932 -1.579 1.00 0.00 O ATOM 0 H ASP A 71 8.478 9.398 0.370 1.00 0.00 H new ATOM 0 HA ASP A 71 10.654 9.072 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.475 11.912 0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.069 11.199 1.078 1.00 0.00 H new ATOM 1123 N THR A 72 10.367 8.328 2.860 1.00 0.00 N ATOM 1124 CA THR A 72 10.857 7.688 4.073 1.00 0.00 C ATOM 1125 C THR A 72 10.528 6.199 4.057 1.00 0.00 C ATOM 1126 O THR A 72 9.703 5.749 3.261 1.00 0.00 O ATOM 1127 CB THR A 72 10.241 8.353 5.310 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.204 9.763 5.163 1.00 0.00 O ATOM 1129 CG2 THR A 72 10.990 8.053 6.588 1.00 0.00 C ATOM 0 H THR A 72 9.409 8.080 2.612 1.00 0.00 H new ATOM 0 HA THR A 72 11.940 7.805 4.115 1.00 0.00 H new ATOM 0 HB THR A 72 9.237 7.936 5.385 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.431 10.015 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.500 8.554 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.995 6.977 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.016 8.411 6.501 1.00 0.00 H new ATOM 1137 N ASP A 73 11.174 5.439 4.938 1.00 0.00 N ATOM 1138 CA ASP A 73 10.942 4.001 5.015 1.00 0.00 C ATOM 1139 C ASP A 73 9.664 3.689 5.791 1.00 0.00 C ATOM 1140 O ASP A 73 8.996 4.591 6.300 1.00 0.00 O ATOM 1141 CB ASP A 73 12.135 3.297 5.669 1.00 0.00 C ATOM 1142 CG ASP A 73 12.748 2.238 4.771 1.00 0.00 C ATOM 1143 OD1 ASP A 73 12.804 2.457 3.541 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.170 1.187 5.297 1.00 0.00 O ATOM 0 H ASP A 73 11.859 5.794 5.605 1.00 0.00 H new ATOM 0 HA ASP A 73 10.825 3.629 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.894 4.036 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.813 2.835 6.603 1.00 0.00 H new ATOM 1149 N TRP A 74 9.335 2.402 5.876 1.00 0.00 N ATOM 1150 CA TRP A 74 8.141 1.953 6.589 1.00 0.00 C ATOM 1151 C TRP A 74 8.513 1.373 7.952 1.00 0.00 C ATOM 1152 O TRP A 74 7.819 1.602 8.943 1.00 0.00 O ATOM 1153 CB TRP A 74 7.372 0.916 5.756 1.00 0.00 C ATOM 1154 CG TRP A 74 8.141 -0.347 5.487 1.00 0.00 C ATOM 1155 CD1 TRP A 74 8.030 -1.531 6.158 1.00 0.00 C ATOM 1156 CD2 TRP A 74 9.136 -0.554 4.474 1.00 0.00 C ATOM 1157 NE1 TRP A 74 8.894 -2.459 5.630 1.00 0.00 N ATOM 1158 CE2 TRP A 74 9.584 -1.883 4.595 1.00 0.00 C ATOM 1159 CE3 TRP A 74 9.693 0.256 3.479 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 10.558 -2.420 3.757 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 10.660 -0.279 2.648 1.00 0.00 C ATOM 1162 CH2 TRP A 74 11.084 -1.605 2.792 1.00 0.00 C ATOM 0 H TRP A 74 9.881 1.649 5.458 1.00 0.00 H new ATOM 0 HA TRP A 74 7.494 2.816 6.748 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.448 0.662 6.275 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.090 1.367 4.804 1.00 0.00 H new ATOM 0 HD1 TRP A 74 7.359 -1.712 6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 74 9.004 -3.420 5.955 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.373 1.281 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.886 -3.443 3.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.095 0.337 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.842 -1.993 2.128 1.00 0.00 H new ATOM 1173 N GLU A 75 9.615 0.622 7.995 1.00 0.00 N ATOM 1174 CA GLU A 75 10.081 0.008 9.237 1.00 0.00 C ATOM 1175 C GLU A 75 10.919 0.981 10.072 1.00 0.00 C ATOM 1176 O GLU A 75 10.973 0.860 11.296 1.00 0.00 O ATOM 1177 CB GLU A 75 10.893 -1.256 8.942 1.00 0.00 C ATOM 1178 CG GLU A 75 12.010 -1.055 7.927 1.00 0.00 C ATOM 1179 CD GLU A 75 12.923 -2.260 7.818 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.630 -3.153 6.996 1.00 0.00 O ATOM 1181 OE2 GLU A 75 13.928 -2.314 8.559 1.00 0.00 O ATOM 0 H GLU A 75 10.201 0.425 7.183 1.00 0.00 H new ATOM 0 HA GLU A 75 9.197 -0.260 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.325 -1.623 9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.219 -2.031 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.575 -0.844 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.599 -0.182 8.209 1.00 0.00 H new ATOM 1188 N LEU A 76 11.575 1.937 9.408 1.00 0.00 N ATOM 1189 CA LEU A 76 12.412 2.922 10.101 1.00 0.00 C ATOM 1190 C LEU A 76 11.634 3.648 11.204 1.00 0.00 C ATOM 1191 O LEU A 76 12.214 4.054 12.213 1.00 0.00 O ATOM 1192 CB LEU A 76 12.975 3.944 9.106 1.00 0.00 C ATOM 1193 CG LEU A 76 14.500 4.087 9.112 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.963 4.919 7.926 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.975 4.706 10.420 1.00 0.00 C ATOM 0 H LEU A 76 11.543 2.050 8.395 1.00 0.00 H new ATOM 0 HA LEU A 76 13.235 2.380 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.656 3.664 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.534 4.917 9.320 1.00 0.00 H new ATOM 0 HG LEU A 76 14.938 3.093 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.049 5.010 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.657 4.433 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.515 5.911 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.061 4.799 10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.528 5.693 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.677 4.069 11.253 1.00 0.00 H new ATOM 1207 N GLU A 77 10.322 3.809 11.009 1.00 0.00 N ATOM 1208 CA GLU A 77 9.481 4.484 11.994 1.00 0.00 C ATOM 1209 C GLU A 77 8.447 3.527 12.583 1.00 0.00 C ATOM 1210 O GLU A 77 8.449 3.268 13.786 1.00 0.00 O ATOM 1211 CB GLU A 77 8.781 5.692 11.367 1.00 0.00 C ATOM 1212 CG GLU A 77 9.714 6.861 11.091 1.00 0.00 C ATOM 1213 CD GLU A 77 8.969 8.144 10.778 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.169 8.149 9.818 1.00 0.00 O ATOM 1215 OE2 GLU A 77 9.185 9.146 11.493 1.00 0.00 O ATOM 0 H GLU A 77 9.824 3.482 10.181 1.00 0.00 H new ATOM 0 HA GLU A 77 10.127 4.830 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.311 5.385 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.983 6.024 12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.356 7.021 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.365 6.611 10.254 1.00 0.00 H new ATOM 1222 N GLY A 78 7.563 3.008 11.732 1.00 0.00 N ATOM 1223 CA GLY A 78 6.538 2.092 12.199 1.00 0.00 C ATOM 1224 C GLY A 78 5.993 1.212 11.093 1.00 0.00 C ATOM 1225 O GLY A 78 5.204 1.668 10.266 1.00 0.00 O ATOM 0 H GLY A 78 7.539 3.205 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.950 1.463 12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.721 2.662 12.640 1.00 0.00 H new ATOM 1229 N GLU A 79 6.418 -0.052 11.078 1.00 0.00 N ATOM 1230 CA GLU A 79 5.968 -1.003 10.061 1.00 0.00 C ATOM 1231 C GLU A 79 4.447 -0.988 9.926 1.00 0.00 C ATOM 1232 O GLU A 79 3.917 -0.740 8.844 1.00 0.00 O ATOM 1233 CB GLU A 79 6.448 -2.417 10.397 1.00 0.00 C ATOM 1234 CG GLU A 79 6.927 -3.191 9.182 1.00 0.00 C ATOM 1235 CD GLU A 79 5.783 -3.642 8.294 1.00 0.00 C ATOM 1236 OE1 GLU A 79 5.392 -2.871 7.394 1.00 0.00 O ATOM 1237 OE2 GLU A 79 5.274 -4.762 8.501 1.00 0.00 O ATOM 0 H GLU A 79 7.072 -0.440 11.757 1.00 0.00 H new ATOM 0 HA GLU A 79 6.400 -0.698 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.259 -2.355 11.123 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.635 -2.966 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.608 -2.567 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.494 -4.062 9.510 1.00 0.00 H new ATOM 1244 N LYS A 80 3.755 -1.251 11.033 1.00 0.00 N ATOM 1245 CA LYS A 80 2.296 -1.263 11.045 1.00 0.00 C ATOM 1246 C LYS A 80 1.752 -0.182 11.978 1.00 0.00 C ATOM 1247 O LYS A 80 0.806 0.528 11.630 1.00 0.00 O ATOM 1248 CB LYS A 80 1.773 -2.635 11.478 1.00 0.00 C ATOM 1249 CG LYS A 80 0.254 -2.711 11.541 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.249 -4.127 11.307 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.547 -4.847 12.616 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.699 -4.240 13.346 1.00 0.00 N ATOM 0 H LYS A 80 4.184 -1.459 11.935 1.00 0.00 H new ATOM 0 HA LYS A 80 1.950 -1.056 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.139 -3.391 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.182 -2.879 12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.088 -2.360 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.175 -2.044 10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.151 -4.096 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.497 -4.689 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.762 -5.896 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.338 -4.821 13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.123 -4.950 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.366 -3.432 13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.411 -3.915 12.662 1.00 0.00 H new ATOM 1266 N ASP A 81 2.354 -0.070 13.168 1.00 0.00 N ATOM 1267 CA ASP A 81 1.939 0.918 14.171 1.00 0.00 C ATOM 1268 C ASP A 81 1.826 2.328 13.577 1.00 0.00 C ATOM 1269 O ASP A 81 1.054 3.149 14.075 1.00 0.00 O ATOM 1270 CB ASP A 81 2.917 0.927 15.353 1.00 0.00 C ATOM 1271 CG ASP A 81 2.941 -0.390 16.109 1.00 0.00 C ATOM 1272 OD1 ASP A 81 1.853 -0.927 16.409 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.050 -0.883 16.404 1.00 0.00 O ATOM 0 H ASP A 81 3.136 -0.656 13.461 1.00 0.00 H new ATOM 0 HA ASP A 81 0.950 0.624 14.522 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.920 1.149 14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.643 1.729 16.039 1.00 0.00 H new ATOM 1278 N TYR A 82 2.593 2.602 12.515 1.00 0.00 N ATOM 1279 CA TYR A 82 2.564 3.911 11.858 1.00 0.00 C ATOM 1280 C TYR A 82 1.124 4.340 11.576 1.00 0.00 C ATOM 1281 O TYR A 82 0.450 3.765 10.718 1.00 0.00 O ATOM 1282 CB TYR A 82 3.368 3.865 10.554 1.00 0.00 C ATOM 1283 CG TYR A 82 3.334 5.151 9.756 1.00 0.00 C ATOM 1284 CD1 TYR A 82 4.268 6.155 9.980 1.00 0.00 C ATOM 1285 CD2 TYR A 82 2.369 5.359 8.777 1.00 0.00 C ATOM 1286 CE1 TYR A 82 4.242 7.329 9.252 1.00 0.00 C ATOM 1287 CE2 TYR A 82 2.338 6.529 8.043 1.00 0.00 C ATOM 1288 CZ TYR A 82 3.275 7.511 8.284 1.00 0.00 C ATOM 1289 OH TYR A 82 3.246 8.678 7.555 1.00 0.00 O ATOM 0 H TYR A 82 3.240 1.935 12.094 1.00 0.00 H new ATOM 0 HA TYR A 82 3.017 4.643 12.526 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.405 3.624 10.788 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.985 3.055 9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.027 6.015 10.736 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.631 4.593 8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.974 8.100 9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.583 6.674 7.284 1.00 0.00 H new ATOM 0 HH TYR A 82 2.505 8.645 6.915 1.00 0.00 H new ATOM 1299 N ILE A 83 0.661 5.348 12.312 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.698 5.854 12.156 1.00 0.00 C ATOM 1301 C ILE A 83 -0.871 6.564 10.814 1.00 0.00 C ATOM 1302 O ILE A 83 -0.038 7.384 10.424 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.079 6.826 13.297 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.750 6.214 14.666 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.557 7.184 13.219 1.00 0.00 C ATOM 1306 CD1 ILE A 83 0.540 6.731 15.270 1.00 0.00 C ATOM 0 H ILE A 83 1.210 5.831 13.024 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.361 4.990 12.195 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.492 7.737 13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.571 6.420 15.353 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.684 5.131 14.564 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.809 7.869 14.029 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.766 7.662 12.262 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.156 6.278 13.310 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.706 6.254 16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.371 6.501 14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.471 7.810 15.405 1.00 0.00 H new ATOM 1318 N LEU A 84 -1.960 6.242 10.116 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.253 6.845 8.821 1.00 0.00 C ATOM 1320 C LEU A 84 -2.578 8.331 8.975 1.00 0.00 C ATOM 1321 O LEU A 84 -2.710 8.835 10.092 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.424 6.121 8.147 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.092 4.755 7.531 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.307 4.185 6.814 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -1.911 4.864 6.575 1.00 0.00 C ATOM 0 H LEU A 84 -2.655 5.564 10.429 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.367 6.747 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.216 5.985 8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.824 6.765 7.364 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.815 4.076 8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.054 3.216 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.125 4.064 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.614 4.866 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.694 3.883 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.155 5.560 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.037 5.226 7.116 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.710 9.025 7.845 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.019 10.449 7.845 1.00 0.00 C ATOM 1339 C GLU A 85 -3.348 10.921 6.434 1.00 0.00 C ATOM 1340 O GLU A 85 -2.452 11.110 5.609 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.842 11.257 8.401 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.012 11.666 9.857 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.854 13.160 10.065 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -2.661 13.928 9.499 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.922 13.562 10.792 1.00 0.00 O ATOM 0 H GLU A 85 -2.607 8.619 6.915 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.887 10.608 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.930 10.668 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.710 12.153 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.998 11.357 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.279 11.138 10.467 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.638 11.100 6.162 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.095 11.548 4.845 1.00 0.00 C ATOM 1354 C ASP A 86 -4.302 12.768 4.379 1.00 0.00 C ATOM 1355 O ASP A 86 -4.372 13.838 4.986 1.00 0.00 O ATOM 1356 CB ASP A 86 -6.595 11.865 4.863 1.00 0.00 C ATOM 1357 CG ASP A 86 -6.961 12.968 5.839 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -6.815 12.754 7.060 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -7.402 14.043 5.380 1.00 0.00 O ATOM 0 H ASP A 86 -5.388 10.942 6.835 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.924 10.735 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.910 12.156 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.148 10.962 5.121 1.00 0.00 H new ATOM 1364 N GLY A 87 -3.537 12.586 3.306 1.00 0.00 N ATOM 1365 CA GLY A 87 -2.724 13.665 2.776 1.00 0.00 C ATOM 1366 C GLY A 87 -1.264 13.270 2.594 1.00 0.00 C ATOM 1367 O GLY A 87 -0.491 14.015 1.990 1.00 0.00 O ATOM 0 H GLY A 87 -3.466 11.707 2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.132 13.983 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.783 14.522 3.447 1.00 0.00 H new ATOM 1371 N ASP A 88 -0.882 12.097 3.112 1.00 0.00 N ATOM 1372 CA ASP A 88 0.493 11.619 2.995 1.00 0.00 C ATOM 1373 C ASP A 88 0.748 11.004 1.620 1.00 0.00 C ATOM 1374 O ASP A 88 -0.184 10.575 0.936 1.00 0.00 O ATOM 1375 CB ASP A 88 0.804 10.593 4.091 1.00 0.00 C ATOM 1376 CG ASP A 88 2.176 10.799 4.705 1.00 0.00 C ATOM 1377 OD1 ASP A 88 3.177 10.738 3.960 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.250 11.024 5.931 1.00 0.00 O ATOM 0 H ASP A 88 -1.506 11.466 3.614 1.00 0.00 H new ATOM 0 HA ASP A 88 1.153 12.478 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.046 10.659 4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.744 9.589 3.672 1.00 0.00 H new ATOM 1383 N ILE A 89 2.020 10.967 1.221 1.00 0.00 N ATOM 1384 CA ILE A 89 2.410 10.411 -0.071 1.00 0.00 C ATOM 1385 C ILE A 89 3.114 9.067 0.108 1.00 0.00 C ATOM 1386 O ILE A 89 4.094 8.963 0.846 1.00 0.00 O ATOM 1387 CB ILE A 89 3.339 11.379 -0.847 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.563 12.620 -1.301 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.970 10.682 -2.048 1.00 0.00 C ATOM 1390 CD1 ILE A 89 1.956 13.411 -0.163 1.00 0.00 C ATOM 0 H ILE A 89 2.799 11.318 1.778 1.00 0.00 H new ATOM 0 HA ILE A 89 1.497 10.266 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 89 4.137 11.692 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.232 13.269 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.769 12.312 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.617 11.382 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.558 9.830 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.186 10.335 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.423 14.274 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.260 12.779 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.746 13.751 0.506 1.00 0.00 H new ATOM 1402 N ILE A 90 2.604 8.043 -0.572 1.00 0.00 N ATOM 1403 CA ILE A 90 3.180 6.702 -0.490 1.00 0.00 C ATOM 1404 C ILE A 90 3.511 6.155 -1.878 1.00 0.00 C ATOM 1405 O ILE A 90 2.765 6.370 -2.834 1.00 0.00 O ATOM 1406 CB ILE A 90 2.226 5.716 0.224 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.820 6.259 1.598 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.877 4.346 0.367 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.381 5.968 1.961 1.00 0.00 C ATOM 0 H ILE A 90 1.793 8.116 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 90 4.098 6.792 0.091 1.00 0.00 H new ATOM 0 HB ILE A 90 1.329 5.609 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.472 5.828 2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.980 7.337 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.189 3.667 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.116 3.952 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.792 4.437 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.164 6.381 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.280 6.423 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.220 4.890 1.976 1.00 0.00 H new ATOM 1421 N SER A 91 4.632 5.443 -1.977 1.00 0.00 N ATOM 1422 CA SER A 91 5.062 4.857 -3.244 1.00 0.00 C ATOM 1423 C SER A 91 5.087 3.332 -3.160 1.00 0.00 C ATOM 1424 O SER A 91 5.458 2.766 -2.131 1.00 0.00 O ATOM 1425 CB SER A 91 6.449 5.375 -3.637 1.00 0.00 C ATOM 1426 OG SER A 91 6.641 6.713 -3.209 1.00 0.00 O ATOM 0 H SER A 91 5.259 5.258 -1.194 1.00 0.00 H new ATOM 0 HA SER A 91 4.343 5.154 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.216 4.737 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.568 5.317 -4.719 1.00 0.00 H new ATOM 0 HG SER A 91 7.535 7.016 -3.472 1.00 0.00 H new ATOM 1432 N PHE A 92 4.692 2.678 -4.250 1.00 0.00 N ATOM 1433 CA PHE A 92 4.667 1.218 -4.315 1.00 0.00 C ATOM 1434 C PHE A 92 5.443 0.716 -5.531 1.00 0.00 C ATOM 1435 O PHE A 92 4.882 0.566 -6.618 1.00 0.00 O ATOM 1436 CB PHE A 92 3.222 0.713 -4.374 1.00 0.00 C ATOM 1437 CG PHE A 92 2.696 0.221 -3.055 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.462 -0.608 -2.249 1.00 0.00 C ATOM 1439 CD2 PHE A 92 1.434 0.588 -2.622 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.976 -1.060 -1.038 1.00 0.00 C ATOM 1441 CE2 PHE A 92 0.942 0.140 -1.413 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.714 -0.685 -0.619 1.00 0.00 C ATOM 0 H PHE A 92 4.383 3.139 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 92 5.143 0.830 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.580 1.518 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.159 -0.094 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.449 -0.903 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.826 1.234 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.582 -1.706 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.045 0.434 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.332 -1.037 0.328 1.00 0.00 H new ATOM 1452 N THR A 93 6.736 0.456 -5.342 1.00 0.00 N ATOM 1453 CA THR A 93 7.587 -0.031 -6.425 1.00 0.00 C ATOM 1454 C THR A 93 7.943 -1.502 -6.218 1.00 0.00 C ATOM 1455 O THR A 93 8.893 -1.826 -5.501 1.00 0.00 O ATOM 1456 CB THR A 93 8.865 0.812 -6.535 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.148 1.481 -5.314 1.00 0.00 O ATOM 1458 CG2 THR A 93 8.799 1.857 -7.628 1.00 0.00 C ATOM 0 H THR A 93 7.216 0.575 -4.450 1.00 0.00 H new ATOM 0 HA THR A 93 7.028 0.062 -7.356 1.00 0.00 H new ATOM 0 HB THR A 93 9.653 0.099 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.081 1.320 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.733 2.418 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.644 1.368 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.972 2.539 -7.430 1.00 0.00 H new ATOM 1466 N SER A 94 7.175 -2.389 -6.851 1.00 0.00 N ATOM 1467 CA SER A 94 7.411 -3.825 -6.739 1.00 0.00 C ATOM 1468 C SER A 94 8.406 -4.288 -7.801 1.00 0.00 C ATOM 1469 O SER A 94 8.021 -4.668 -8.909 1.00 0.00 O ATOM 1470 CB SER A 94 6.092 -4.598 -6.865 1.00 0.00 C ATOM 1471 OG SER A 94 6.286 -5.984 -6.637 1.00 0.00 O ATOM 0 H SER A 94 6.385 -2.137 -7.446 1.00 0.00 H new ATOM 0 HA SER A 94 7.837 -4.028 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.369 -4.207 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.672 -4.446 -7.859 1.00 0.00 H new ATOM 0 HG SER A 94 5.429 -6.453 -6.722 1.00 0.00 H new ATOM 1477 N THR A 95 9.691 -4.245 -7.453 1.00 0.00 N ATOM 1478 CA THR A 95 10.753 -4.655 -8.368 1.00 0.00 C ATOM 1479 C THR A 95 11.488 -5.886 -7.828 1.00 0.00 C ATOM 1480 O THR A 95 11.169 -7.015 -8.206 1.00 0.00 O ATOM 1481 CB THR A 95 11.734 -3.497 -8.607 1.00 0.00 C ATOM 1482 OG1 THR A 95 11.606 -2.502 -7.602 1.00 0.00 O ATOM 1483 CG2 THR A 95 11.540 -2.818 -9.946 1.00 0.00 C ATOM 0 H THR A 95 10.022 -3.929 -6.541 1.00 0.00 H new ATOM 0 HA THR A 95 10.300 -4.923 -9.322 1.00 0.00 H new ATOM 0 HB THR A 95 12.723 -3.954 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.242 -1.777 -7.776 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.264 -2.010 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.686 -3.543 -10.746 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.530 -2.411 -10.005 1.00 0.00 H new ATOM 1491 N LEU A 96 12.462 -5.663 -6.937 1.00 0.00 N ATOM 1492 CA LEU A 96 13.235 -6.752 -6.336 1.00 0.00 C ATOM 1493 C LEU A 96 14.330 -6.202 -5.421 1.00 0.00 C ATOM 1494 O LEU A 96 14.465 -6.634 -4.276 1.00 0.00 O ATOM 1495 CB LEU A 96 13.865 -7.642 -7.417 1.00 0.00 C ATOM 1496 CG LEU A 96 13.639 -9.148 -7.229 1.00 0.00 C ATOM 1497 CD1 LEU A 96 12.466 -9.627 -8.073 1.00 0.00 C ATOM 1498 CD2 LEU A 96 14.901 -9.927 -7.578 1.00 0.00 C ATOM 0 H LEU A 96 12.733 -4.733 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 96 12.547 -7.354 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.465 -7.348 -8.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.938 -7.451 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 96 13.402 -9.328 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.324 -10.697 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.562 -9.096 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.671 -9.431 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.721 -10.993 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 96 15.170 -9.737 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.716 -9.609 -6.928 1.00 0.00 H new ATOM 1510 N HIS A 97 15.110 -5.245 -5.941 1.00 0.00 N ATOM 1511 CA HIS A 97 16.203 -4.623 -5.189 1.00 0.00 C ATOM 1512 C HIS A 97 17.377 -5.591 -5.026 1.00 0.00 C ATOM 1513 O HIS A 97 18.433 -5.394 -5.629 1.00 0.00 O ATOM 1514 CB HIS A 97 15.717 -4.128 -3.820 1.00 0.00 C ATOM 1515 CG HIS A 97 15.761 -2.637 -3.676 1.00 0.00 C ATOM 1516 ND1 HIS A 97 14.848 -1.797 -4.280 1.00 0.00 N ATOM 1517 CD2 HIS A 97 16.620 -1.833 -3.003 1.00 0.00 C ATOM 1518 CE1 HIS A 97 15.144 -0.544 -3.989 1.00 0.00 C ATOM 1519 NE2 HIS A 97 16.214 -0.538 -3.215 1.00 0.00 N ATOM 0 H HIS A 97 15.001 -4.884 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 97 16.550 -3.761 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 97 14.695 -4.471 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 97 16.330 -4.579 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 97 17.465 -2.151 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.603 0.328 -4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 97 16.666 0.294 -2.836 1.00 0.00 H new ATOM 1528 N GLY A 98 17.183 -6.640 -4.220 1.00 0.00 N ATOM 1529 CA GLY A 98 18.231 -7.628 -4.007 1.00 0.00 C ATOM 1530 C GLY A 98 19.386 -7.102 -3.172 1.00 0.00 C ATOM 1531 O GLY A 98 19.402 -7.271 -1.952 1.00 0.00 O ATOM 0 H GLY A 98 16.317 -6.821 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.804 -8.502 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.611 -7.960 -4.973 1.00 0.00 H new ATOM 1535 N GLY A 99 20.354 -6.469 -3.833 1.00 0.00 N ATOM 1536 CA GLY A 99 21.509 -5.926 -3.137 1.00 0.00 C ATOM 1537 C GLY A 99 21.153 -4.758 -2.234 1.00 0.00 C ATOM 1538 O GLY A 99 20.223 -3.997 -2.578 1.00 0.00 O ATOM 0 H GLY A 99 20.358 -6.322 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 99 21.972 -6.713 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 99 22.250 -5.602 -3.868 1.00 0.00 H new TER 1542 GLY A 99