USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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 60 HIS : no HE2:sc= -0.93 K(o=-1.6,f=-2.9!) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.654 USER MOD Set 2.1: A 42 CYS SG : rot -139:sc= -4.11! USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 0 (180deg=-0.427) USER MOD Single : A 2 SER OG : rot 102:sc= 0.981 USER MOD Single : A 5 ASN : amide:sc= -7.28! C(o=-7.3!,f=-10!) USER MOD Single : A 9 ASN :FLIP amide:sc= 0.962 F(o=0,f=0.96) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 138:sc=-0.00456 USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -1.07! (180deg=-1.92!) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.526 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -3.73! C(o=-3.7!,f=-4.7!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.11 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= -6.67! (180deg=-6.88!) USER MOD Single : A 64 HIS : no HD1:sc=-0.00931 X(o=-0.0093,f=-0.22) USER MOD Single : A 65 ASN : amide:sc= -4.38! C(o=-4.4!,f=-12!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.909 F(o=-2.3!,f=-0.91) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.3!) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= 0.16 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0.0942! C(o=-1.4!,f=0.094!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.314 15.657 -4.130 1.00 0.00 N ATOM 2 CA MET A 1 6.977 14.457 -4.875 1.00 0.00 C ATOM 3 C MET A 1 6.722 13.280 -3.932 1.00 0.00 C ATOM 4 O MET A 1 7.559 12.387 -3.807 1.00 0.00 O ATOM 5 CB MET A 1 8.122 14.109 -5.828 1.00 0.00 C ATOM 6 CG MET A 1 8.453 15.291 -6.742 1.00 0.00 C ATOM 7 SD MET A 1 8.750 14.712 -8.404 1.00 0.00 S ATOM 8 CE MET A 1 7.074 14.652 -9.015 1.00 0.00 C ATOM 0 H1 MET A 1 7.088 16.496 -4.702 1.00 0.00 H new ATOM 0 H2 MET A 1 6.766 15.683 -3.247 1.00 0.00 H new ATOM 0 H3 MET A 1 8.330 15.653 -3.907 1.00 0.00 H new ATOM 0 HA MET A 1 6.066 14.648 -5.442 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.006 13.830 -5.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.847 13.244 -6.431 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.630 16.006 -6.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.332 15.816 -6.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.076 14.307 -10.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.489 13.965 -8.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.633 15.647 -8.965 1.00 0.00 H new ATOM 16 N SER A 2 5.561 13.315 -3.293 1.00 0.00 N ATOM 17 CA SER A 2 5.186 12.262 -2.364 1.00 0.00 C ATOM 18 C SER A 2 3.807 11.709 -2.731 1.00 0.00 C ATOM 19 O SER A 2 2.811 12.430 -2.680 1.00 0.00 O ATOM 20 CB SER A 2 5.187 12.772 -0.923 1.00 0.00 C ATOM 21 OG SER A 2 5.496 14.161 -0.848 1.00 0.00 O ATOM 0 H SER A 2 4.868 14.056 -3.400 1.00 0.00 H new ATOM 0 HA SER A 2 5.923 11.462 -2.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.210 12.593 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.914 12.207 -0.339 1.00 0.00 H new ATOM 0 HG SER A 2 4.671 14.673 -0.713 1.00 0.00 H new ATOM 26 N GLU A 3 3.793 10.434 -3.093 1.00 0.00 N ATOM 27 CA GLU A 3 2.553 9.776 -3.468 1.00 0.00 C ATOM 28 C GLU A 3 2.567 8.316 -3.011 1.00 0.00 C ATOM 29 O GLU A 3 3.507 7.579 -3.307 1.00 0.00 O ATOM 30 CB GLU A 3 2.312 9.878 -4.975 1.00 0.00 C ATOM 31 CG GLU A 3 3.449 9.216 -5.757 1.00 0.00 C ATOM 32 CD GLU A 3 3.675 9.919 -7.097 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.682 9.261 -8.148 1.00 0.00 O ATOM 34 OE2 GLU A 3 3.846 11.195 -7.021 1.00 0.00 O ATOM 0 H GLU A 3 4.621 9.839 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 3 1.729 10.284 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.365 9.401 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.229 10.926 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.366 9.245 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.214 8.166 -5.928 1.00 0.00 H new ATOM 40 N VAL A 4 1.516 7.942 -2.297 1.00 0.00 N ATOM 41 CA VAL A 4 1.396 6.583 -1.797 1.00 0.00 C ATOM 42 C VAL A 4 0.199 5.902 -2.463 1.00 0.00 C ATOM 43 O VAL A 4 -0.925 6.396 -2.381 1.00 0.00 O ATOM 44 CB VAL A 4 1.303 6.594 -0.269 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.193 7.532 0.206 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.099 5.180 0.277 1.00 0.00 C ATOM 0 H VAL A 4 0.739 8.556 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 4 2.283 6.003 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 4 2.248 6.971 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.149 7.521 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.401 8.545 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.763 7.200 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.036 5.215 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.176 4.764 -0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.939 4.551 -0.018 1.00 0.00 H new ATOM 56 N ASN A 5 0.480 4.781 -3.110 1.00 0.00 N ATOM 57 CA ASN A 5 -0.559 4.027 -3.790 1.00 0.00 C ATOM 58 C ASN A 5 -0.488 2.562 -3.356 1.00 0.00 C ATOM 59 O ASN A 5 0.525 1.897 -3.564 1.00 0.00 O ATOM 60 CB ASN A 5 -0.374 4.081 -5.307 1.00 0.00 C ATOM 61 CG ASN A 5 0.170 5.442 -5.746 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.536 6.436 -5.786 1.00 0.00 O ATOM 63 ND2 ASN A 5 1.458 5.430 -6.073 1.00 0.00 N ATOM 0 H ASN A 5 1.414 4.376 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.521 4.467 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.311 3.293 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.327 3.890 -5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.914 6.289 -6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.990 4.562 -6.016 1.00 0.00 H new ATOM 69 N ILE A 6 -1.579 2.101 -2.761 1.00 0.00 N ATOM 70 CA ILE A 6 -1.653 0.727 -2.295 1.00 0.00 C ATOM 71 C ILE A 6 -2.989 0.118 -2.728 1.00 0.00 C ATOM 72 O ILE A 6 -4.032 0.763 -2.623 1.00 0.00 O ATOM 73 CB ILE A 6 -1.405 0.657 -0.788 1.00 0.00 C ATOM 74 CG1 ILE A 6 -0.004 0.120 -0.487 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.493 -0.161 -0.090 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.059 1.191 -0.743 1.00 0.00 C ATOM 0 H ILE A 6 -2.419 2.655 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.865 0.127 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.456 1.669 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.048 -0.209 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.196 -0.753 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.292 -0.195 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.464 0.303 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.499 -1.175 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.046 0.784 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.020 1.500 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.869 2.052 -0.102 1.00 0.00 H new ATOM 87 N VAL A 7 -2.914 -1.116 -3.204 1.00 0.00 N ATOM 88 CA VAL A 7 -4.105 -1.819 -3.652 1.00 0.00 C ATOM 89 C VAL A 7 -3.983 -3.300 -3.292 1.00 0.00 C ATOM 90 O VAL A 7 -3.073 -3.984 -3.759 1.00 0.00 O ATOM 91 CB VAL A 7 -4.319 -1.583 -5.149 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.263 -2.319 -5.976 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.731 -1.993 -5.571 1.00 0.00 C ATOM 0 H VAL A 7 -2.048 -1.647 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.990 -1.433 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.209 -0.516 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.438 -2.135 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.271 -1.958 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.327 -3.389 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.858 -1.815 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.881 -3.052 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.462 -1.405 -5.016 1.00 0.00 H new ATOM 103 N VAL A 8 -4.913 -3.754 -2.464 1.00 0.00 N ATOM 104 CA VAL A 8 -4.921 -5.142 -2.035 1.00 0.00 C ATOM 105 C VAL A 8 -6.319 -5.727 -2.243 1.00 0.00 C ATOM 106 O VAL A 8 -7.299 -5.204 -1.716 1.00 0.00 O ATOM 107 CB VAL A 8 -4.438 -5.246 -0.588 1.00 0.00 C ATOM 108 CG1 VAL A 8 -3.505 -6.445 -0.405 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.759 -3.950 -0.141 1.00 0.00 C ATOM 0 H VAL A 8 -5.666 -3.184 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.229 -5.732 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.312 -5.402 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.176 -6.495 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.036 -7.362 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.637 -6.333 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.425 -4.052 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.900 -3.749 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.467 -3.124 -0.214 1.00 0.00 H new ATOM 119 N ASN A 9 -6.367 -6.805 -3.012 1.00 0.00 N ATOM 120 CA ASN A 9 -7.628 -7.467 -3.296 1.00 0.00 C ATOM 121 C ASN A 9 -7.440 -8.982 -3.190 1.00 0.00 C ATOM 122 O ASN A 9 -6.653 -9.567 -3.932 1.00 0.00 O ATOM 123 CB ASN A 9 -8.111 -7.149 -4.713 1.00 0.00 C ATOM 124 CG ASN A 9 -9.326 -6.219 -4.682 1.00 0.00 C ATOM 125 OD1 ASN A 9 -10.494 -6.853 -4.743 1.00 0.00 O flip ATOM 126 ND2 ASN A 9 -9.210 -5.007 -4.608 1.00 0.00 N flip ATOM 0 H ASN A 9 -5.552 -7.236 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.364 -7.111 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.305 -6.682 -5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.369 -8.074 -5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.282 -4.585 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.041 -4.415 -4.590 1.00 0.00 H new ATOM 132 N GLY A 10 -8.177 -9.573 -2.261 1.00 0.00 N ATOM 133 CA GLY A 10 -8.101 -11.009 -2.048 1.00 0.00 C ATOM 134 C GLY A 10 -7.221 -11.338 -0.841 1.00 0.00 C ATOM 135 O GLY A 10 -6.704 -12.450 -0.729 1.00 0.00 O ATOM 0 H GLY A 10 -8.829 -9.084 -1.648 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.102 -11.411 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.698 -11.492 -2.939 1.00 0.00 H new ATOM 139 N ARG A 11 -7.077 -10.353 0.033 1.00 0.00 N ATOM 140 CA ARG A 11 -6.269 -10.524 1.228 1.00 0.00 C ATOM 141 C ARG A 11 -5.055 -11.406 0.926 1.00 0.00 C ATOM 142 O ARG A 11 -4.882 -12.460 1.536 1.00 0.00 O ATOM 143 CB ARG A 11 -7.082 -11.158 2.358 1.00 0.00 C ATOM 144 CG ARG A 11 -7.898 -10.101 3.106 1.00 0.00 C ATOM 145 CD ARG A 11 -9.048 -9.582 2.239 1.00 0.00 C ATOM 146 NE ARG A 11 -9.622 -10.690 1.444 1.00 0.00 N ATOM 147 CZ ARG A 11 -10.318 -11.719 1.973 1.00 0.00 C ATOM 148 NH1 ARG A 11 -10.532 -11.789 3.303 1.00 0.00 N ATOM 149 NH2 ARG A 11 -10.787 -12.655 1.169 1.00 0.00 N ATOM 0 H ARG A 11 -7.507 -9.433 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.936 -9.536 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.750 -11.916 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.412 -11.665 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.296 -10.528 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.251 -9.272 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.819 -9.139 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.688 -8.796 1.575 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.483 -10.676 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.167 -11.061 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.059 -12.570 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.622 -12.594 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.315 -13.439 1.552 1.00 0.00 H new ATOM 159 N GLU A 12 -4.246 -10.942 -0.015 1.00 0.00 N ATOM 160 CA GLU A 12 -3.054 -11.676 -0.405 1.00 0.00 C ATOM 161 C GLU A 12 -1.814 -10.793 -0.253 1.00 0.00 C ATOM 162 O GLU A 12 -1.907 -9.568 -0.313 1.00 0.00 O ATOM 163 CB GLU A 12 -3.179 -12.203 -1.835 1.00 0.00 C ATOM 164 CG GLU A 12 -3.918 -11.203 -2.726 1.00 0.00 C ATOM 165 CD GLU A 12 -2.979 -10.094 -3.204 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.872 -9.946 -2.665 1.00 0.00 O ATOM 167 OE2 GLU A 12 -3.433 -9.373 -4.172 1.00 0.00 O ATOM 0 H GLU A 12 -4.392 -10.067 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.947 -12.536 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.187 -12.395 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.712 -13.154 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.342 -11.721 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.751 -10.766 -2.175 1.00 0.00 H new ATOM 173 N ALA A 13 -0.679 -11.449 -0.058 1.00 0.00 N ATOM 174 CA ALA A 13 0.578 -10.739 0.104 1.00 0.00 C ATOM 175 C ALA A 13 1.463 -10.994 -1.117 1.00 0.00 C ATOM 176 O ALA A 13 1.441 -12.083 -1.689 1.00 0.00 O ATOM 177 CB ALA A 13 1.246 -11.175 1.409 1.00 0.00 C ATOM 0 H ALA A 13 -0.604 -12.465 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 13 0.406 -9.665 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.189 -10.642 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.589 -10.946 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.436 -12.248 1.380 1.00 0.00 H new ATOM 183 N GLY A 14 2.222 -9.970 -1.482 1.00 0.00 N ATOM 184 CA GLY A 14 3.112 -10.070 -2.626 1.00 0.00 C ATOM 185 C GLY A 14 4.249 -9.050 -2.526 1.00 0.00 C ATOM 186 O GLY A 14 4.832 -8.662 -3.538 1.00 0.00 O ATOM 0 H GLY A 14 2.239 -9.068 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.526 -11.077 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.549 -9.904 -3.545 1.00 0.00 H new ATOM 190 N SER A 15 4.531 -8.645 -1.296 1.00 0.00 N ATOM 191 CA SER A 15 5.587 -7.678 -1.051 1.00 0.00 C ATOM 192 C SER A 15 6.190 -7.902 0.337 1.00 0.00 C ATOM 193 O SER A 15 5.581 -8.555 1.184 1.00 0.00 O ATOM 194 CB SER A 15 5.062 -6.245 -1.176 1.00 0.00 C ATOM 195 OG SER A 15 6.119 -5.290 -1.194 1.00 0.00 O ATOM 0 H SER A 15 4.046 -8.969 -0.459 1.00 0.00 H new ATOM 0 HA SER A 15 6.362 -7.820 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.474 -6.152 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.393 -6.030 -0.343 1.00 0.00 H new ATOM 0 HG SER A 15 5.744 -4.388 -1.276 1.00 0.00 H new ATOM 200 N LYS A 16 7.379 -7.351 0.527 1.00 0.00 N ATOM 201 CA LYS A 16 8.072 -7.483 1.797 1.00 0.00 C ATOM 202 C LYS A 16 7.368 -6.624 2.849 1.00 0.00 C ATOM 203 O LYS A 16 7.740 -6.641 4.021 1.00 0.00 O ATOM 204 CB LYS A 16 9.558 -7.160 1.634 1.00 0.00 C ATOM 205 CG LYS A 16 9.825 -5.672 1.867 1.00 0.00 C ATOM 206 CD LYS A 16 11.324 -5.369 1.817 1.00 0.00 C ATOM 207 CE LYS A 16 11.837 -5.384 0.375 1.00 0.00 C ATOM 208 NZ LYS A 16 13.283 -5.704 0.344 1.00 0.00 N ATOM 0 H LYS A 16 7.881 -6.811 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 16 8.031 -8.514 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.142 -7.752 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.887 -7.440 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.306 -5.083 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.422 -5.374 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.517 -4.395 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.868 -6.106 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.283 -6.120 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.663 -4.414 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.616 -5.710 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.809 -4.987 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.441 -6.640 0.769 1.00 0.00 H new ATOM 217 N SER A 17 6.363 -5.890 2.391 1.00 0.00 N ATOM 218 CA SER A 17 5.604 -5.025 3.278 1.00 0.00 C ATOM 219 C SER A 17 5.222 -5.785 4.550 1.00 0.00 C ATOM 220 O SER A 17 5.172 -5.204 5.633 1.00 0.00 O ATOM 221 CB SER A 17 4.350 -4.489 2.584 1.00 0.00 C ATOM 222 OG SER A 17 3.410 -5.522 2.306 1.00 0.00 O ATOM 0 H SER A 17 6.058 -5.877 1.418 1.00 0.00 H new ATOM 0 HA SER A 17 6.231 -4.174 3.545 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.882 -3.733 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.633 -3.997 1.654 1.00 0.00 H new ATOM 0 HG SER A 17 2.506 -5.206 2.514 1.00 0.00 H new ATOM 227 N LYS A 18 4.962 -7.073 4.376 1.00 0.00 N ATOM 228 CA LYS A 18 4.585 -7.919 5.497 1.00 0.00 C ATOM 229 C LYS A 18 5.641 -7.798 6.598 1.00 0.00 C ATOM 230 O LYS A 18 5.354 -8.047 7.767 1.00 0.00 O ATOM 231 CB LYS A 18 4.347 -9.355 5.027 1.00 0.00 C ATOM 232 CG LYS A 18 3.277 -9.405 3.935 1.00 0.00 C ATOM 233 CD LYS A 18 1.933 -8.901 4.461 1.00 0.00 C ATOM 234 CE LYS A 18 0.841 -9.956 4.276 1.00 0.00 C ATOM 235 NZ LYS A 18 0.050 -10.108 5.518 1.00 0.00 N ATOM 0 H LYS A 18 5.005 -7.551 3.476 1.00 0.00 H new ATOM 0 HA LYS A 18 3.639 -7.588 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.278 -9.776 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.039 -9.971 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.590 -8.797 3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.169 -10.427 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.024 -8.648 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.653 -7.987 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.186 -9.669 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.292 -10.911 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.885 -10.502 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.546 -10.750 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.068 -9.179 5.970 1.00 0.00 H new ATOM 244 N GLY A 19 6.841 -7.415 6.185 1.00 0.00 N ATOM 245 CA GLY A 19 7.940 -7.258 7.121 1.00 0.00 C ATOM 246 C GLY A 19 7.696 -6.074 8.058 1.00 0.00 C ATOM 247 O GLY A 19 6.746 -6.080 8.839 1.00 0.00 O ATOM 0 H GLY A 19 7.075 -7.209 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.058 -8.171 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.870 -7.107 6.573 1.00 0.00 H new ATOM 251 N CYS A 20 8.573 -5.085 7.950 1.00 0.00 N ATOM 252 CA CYS A 20 8.465 -3.896 8.778 1.00 0.00 C ATOM 253 C CYS A 20 8.687 -2.671 7.890 1.00 0.00 C ATOM 254 O CYS A 20 9.216 -2.787 6.787 1.00 0.00 O ATOM 255 CB CYS A 20 9.445 -3.934 9.953 1.00 0.00 C ATOM 256 SG CYS A 20 9.631 -5.652 10.557 1.00 0.00 S ATOM 0 H CYS A 20 9.361 -5.084 7.302 1.00 0.00 H new ATOM 0 HA CYS A 20 7.470 -3.847 9.221 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.413 -3.542 9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.085 -3.293 10.758 1.00 0.00 H new ATOM 0 HG CYS A 20 10.466 -5.674 11.553 1.00 0.00 H new ATOM 261 N ALA A 21 8.270 -1.523 8.406 1.00 0.00 N ATOM 262 CA ALA A 21 8.417 -0.277 7.673 1.00 0.00 C ATOM 263 C ALA A 21 9.894 -0.057 7.339 1.00 0.00 C ATOM 264 O ALA A 21 10.255 0.089 6.173 1.00 0.00 O ATOM 265 CB ALA A 21 7.827 0.871 8.494 1.00 0.00 C ATOM 0 H ALA A 21 7.831 -1.430 9.322 1.00 0.00 H new ATOM 0 HA ALA A 21 7.870 -0.319 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.937 1.806 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.770 0.681 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.353 0.946 9.446 1.00 0.00 H new ATOM 271 N LEU A 22 10.707 -0.038 8.386 1.00 0.00 N ATOM 272 CA LEU A 22 12.136 0.161 8.219 1.00 0.00 C ATOM 273 C LEU A 22 12.683 -0.880 7.240 1.00 0.00 C ATOM 274 O LEU A 22 13.233 -0.529 6.197 1.00 0.00 O ATOM 275 CB LEU A 22 12.840 0.158 9.577 1.00 0.00 C ATOM 276 CG LEU A 22 12.869 1.494 10.322 1.00 0.00 C ATOM 277 CD1 LEU A 22 14.279 2.088 10.329 1.00 0.00 C ATOM 278 CD2 LEU A 22 11.840 2.467 9.743 1.00 0.00 C ATOM 0 H LEU A 22 10.403 -0.157 9.352 1.00 0.00 H new ATOM 0 HA LEU A 22 12.335 1.141 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.353 -0.580 10.214 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.867 -0.176 9.430 1.00 0.00 H new ATOM 0 HG LEU A 22 12.592 1.312 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.271 3.037 10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.962 1.398 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.609 2.253 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.881 3.409 10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.062 2.649 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.842 2.038 9.834 1.00 0.00 H new ATOM 289 N CYS A 23 12.510 -2.140 7.611 1.00 0.00 N ATOM 290 CA CYS A 23 12.979 -3.236 6.779 1.00 0.00 C ATOM 291 C CYS A 23 11.957 -4.372 6.860 1.00 0.00 C ATOM 292 O CYS A 23 11.042 -4.331 7.681 1.00 0.00 O ATOM 293 CB CYS A 23 14.379 -3.697 7.188 1.00 0.00 C ATOM 294 SG CYS A 23 15.391 -4.017 5.697 1.00 0.00 S ATOM 0 H CYS A 23 12.052 -2.427 8.476 1.00 0.00 H new ATOM 0 HA CYS A 23 13.066 -2.900 5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.856 -2.936 7.805 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.311 -4.601 7.793 1.00 0.00 H new ATOM 0 HG CYS A 23 16.579 -4.406 6.054 1.00 0.00 H new ATOM 299 N GLY A 24 12.148 -5.359 5.998 1.00 0.00 N ATOM 300 CA GLY A 24 11.255 -6.504 5.961 1.00 0.00 C ATOM 301 C GLY A 24 12.024 -7.791 5.652 1.00 0.00 C ATOM 302 O GLY A 24 12.279 -8.100 4.489 1.00 0.00 O ATOM 0 H GLY A 24 12.909 -5.390 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.745 -6.602 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.486 -6.345 5.205 1.00 0.00 H new ATOM 306 N ALA A 25 12.373 -8.504 6.712 1.00 0.00 N ATOM 307 CA ALA A 25 13.107 -9.748 6.569 1.00 0.00 C ATOM 308 C ALA A 25 12.194 -10.920 6.933 1.00 0.00 C ATOM 309 O ALA A 25 12.573 -12.079 6.777 1.00 0.00 O ATOM 310 CB ALA A 25 14.369 -9.700 7.434 1.00 0.00 C ATOM 0 H ALA A 25 12.160 -8.243 7.675 1.00 0.00 H new ATOM 0 HA ALA A 25 13.426 -9.888 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.920 -10.634 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.998 -8.869 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.089 -9.562 8.478 1.00 0.00 H new ATOM 316 N THR A 26 11.008 -10.576 7.414 1.00 0.00 N ATOM 317 CA THR A 26 10.037 -11.586 7.803 1.00 0.00 C ATOM 318 C THR A 26 8.911 -11.668 6.771 1.00 0.00 C ATOM 319 O THR A 26 8.916 -10.939 5.780 1.00 0.00 O ATOM 320 CB THR A 26 9.545 -11.251 9.213 1.00 0.00 C ATOM 321 OG1 THR A 26 8.856 -12.426 9.630 1.00 0.00 O ATOM 322 CG2 THR A 26 8.465 -10.166 9.214 1.00 0.00 C ATOM 0 H THR A 26 10.697 -9.613 7.543 1.00 0.00 H new ATOM 0 HA THR A 26 10.487 -12.579 7.827 1.00 0.00 H new ATOM 0 HB THR A 26 10.388 -10.926 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.506 -12.296 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.151 -9.966 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.866 -9.253 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.608 -10.505 8.631 1.00 0.00 H new ATOM 330 N TRP A 27 7.971 -12.564 7.037 1.00 0.00 N ATOM 331 CA TRP A 27 6.841 -12.752 6.144 1.00 0.00 C ATOM 332 C TRP A 27 5.653 -13.236 6.979 1.00 0.00 C ATOM 333 O TRP A 27 5.838 -13.840 8.034 1.00 0.00 O ATOM 334 CB TRP A 27 7.198 -13.705 5.001 1.00 0.00 C ATOM 335 CG TRP A 27 6.916 -15.177 5.310 1.00 0.00 C ATOM 336 CD1 TRP A 27 5.972 -15.965 4.779 1.00 0.00 C ATOM 337 CD2 TRP A 27 7.630 -16.010 6.247 1.00 0.00 C ATOM 338 NE1 TRP A 27 6.023 -17.240 5.304 1.00 0.00 N ATOM 339 CE2 TRP A 27 7.063 -17.269 6.225 1.00 0.00 C ATOM 340 CE3 TRP A 27 8.718 -15.711 7.087 1.00 0.00 C ATOM 341 CZ2 TRP A 27 7.517 -18.328 7.020 1.00 0.00 C ATOM 342 CZ3 TRP A 27 9.159 -16.781 7.875 1.00 0.00 C ATOM 343 CH2 TRP A 27 8.600 -18.053 7.864 1.00 0.00 C ATOM 0 H TRP A 27 7.970 -13.168 7.859 1.00 0.00 H new ATOM 0 HA TRP A 27 6.568 -11.812 5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.637 -13.417 4.112 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.255 -13.590 4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.260 -15.643 4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.410 -18.018 5.061 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.177 -14.734 7.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.057 -19.304 6.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 9.993 -16.605 8.538 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.999 -18.826 8.504 1.00 0.00 H new ATOM 353 N GLY A 28 4.461 -12.953 6.474 1.00 0.00 N ATOM 354 CA GLY A 28 3.245 -13.353 7.160 1.00 0.00 C ATOM 355 C GLY A 28 2.009 -12.773 6.467 1.00 0.00 C ATOM 356 O GLY A 28 1.911 -11.563 6.277 1.00 0.00 O ATOM 0 H GLY A 28 4.312 -12.452 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.177 -14.441 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.279 -13.014 8.195 1.00 0.00 H new ATOM 360 N ASP A 29 1.099 -13.667 6.108 1.00 0.00 N ATOM 361 CA ASP A 29 -0.126 -13.259 5.441 1.00 0.00 C ATOM 362 C ASP A 29 -1.237 -13.091 6.479 1.00 0.00 C ATOM 363 O ASP A 29 -2.324 -12.614 6.159 1.00 0.00 O ATOM 364 CB ASP A 29 -0.579 -14.314 4.429 1.00 0.00 C ATOM 365 CG ASP A 29 -1.504 -13.797 3.326 1.00 0.00 C ATOM 366 OD1 ASP A 29 -2.361 -14.533 2.814 1.00 0.00 O ATOM 367 OD2 ASP A 29 -1.316 -12.566 2.989 1.00 0.00 O ATOM 0 H ASP A 29 1.185 -14.671 6.266 1.00 0.00 H new ATOM 0 HA ASP A 29 0.070 -12.321 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.304 -14.754 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.089 -15.114 4.965 1.00 0.00 H new ATOM 372 N TYR A 30 -0.925 -13.494 7.703 1.00 0.00 N ATOM 373 CA TYR A 30 -1.883 -13.394 8.790 1.00 0.00 C ATOM 374 C TYR A 30 -1.946 -11.966 9.336 1.00 0.00 C ATOM 375 O TYR A 30 -2.705 -11.685 10.262 1.00 0.00 O ATOM 376 CB TYR A 30 -1.370 -14.325 9.890 1.00 0.00 C ATOM 377 CG TYR A 30 -1.161 -15.771 9.435 1.00 0.00 C ATOM 378 CD1 TYR A 30 -2.194 -16.680 9.525 1.00 0.00 C ATOM 379 CD2 TYR A 30 0.063 -16.166 8.933 1.00 0.00 C ATOM 380 CE1 TYR A 30 -1.998 -18.040 9.096 1.00 0.00 C ATOM 381 CE2 TYR A 30 0.261 -17.527 8.505 1.00 0.00 C ATOM 382 CZ TYR A 30 -0.780 -18.397 8.607 1.00 0.00 C ATOM 383 OH TYR A 30 -0.593 -19.681 8.202 1.00 0.00 O ATOM 0 H TYR A 30 -0.022 -13.890 7.965 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.882 -13.662 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.426 -13.935 10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.077 -14.315 10.719 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.151 -16.371 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.872 -15.454 8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.800 -18.761 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.214 -17.849 8.112 1.00 0.00 H new ATOM 0 HH TYR A 30 0.324 -19.791 7.875 1.00 0.00 H new ATOM 392 N HIS A 31 -1.140 -11.102 8.737 1.00 0.00 N ATOM 393 CA HIS A 31 -1.095 -9.710 9.151 1.00 0.00 C ATOM 394 C HIS A 31 -1.742 -8.834 8.077 1.00 0.00 C ATOM 395 O HIS A 31 -2.046 -9.309 6.984 1.00 0.00 O ATOM 396 CB HIS A 31 0.337 -9.286 9.479 1.00 0.00 C ATOM 397 CG HIS A 31 1.220 -10.417 9.952 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.044 -11.045 11.174 1.00 0.00 N ATOM 399 CD2 HIS A 31 2.284 -11.026 9.357 1.00 0.00 C ATOM 400 CE1 HIS A 31 1.966 -11.987 11.296 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.736 -11.973 10.170 1.00 0.00 N ATOM 0 H HIS A 31 -0.513 -11.339 7.968 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.668 -9.582 10.069 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.784 -8.836 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.309 -8.514 10.248 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.326 -10.820 11.863 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.691 -10.780 8.387 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.087 -12.651 12.139 1.00 0.00 H new ATOM 408 N ALA A 32 -1.933 -7.570 8.426 1.00 0.00 N ATOM 409 CA ALA A 32 -2.539 -6.623 7.505 1.00 0.00 C ATOM 410 C ALA A 32 -1.595 -5.434 7.310 1.00 0.00 C ATOM 411 O ALA A 32 -1.153 -4.822 8.282 1.00 0.00 O ATOM 412 CB ALA A 32 -3.910 -6.198 8.036 1.00 0.00 C ATOM 0 H ALA A 32 -1.679 -7.180 9.333 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.697 -7.084 6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.364 -5.488 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.552 -7.074 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.792 -5.729 9.013 1.00 0.00 H new ATOM 418 N ASP A 33 -1.314 -5.143 6.048 1.00 0.00 N ATOM 419 CA ASP A 33 -0.432 -4.037 5.714 1.00 0.00 C ATOM 420 C ASP A 33 -1.272 -2.821 5.321 1.00 0.00 C ATOM 421 O ASP A 33 -2.467 -2.946 5.058 1.00 0.00 O ATOM 422 CB ASP A 33 0.470 -4.392 4.531 1.00 0.00 C ATOM 423 CG ASP A 33 0.210 -5.764 3.907 1.00 0.00 C ATOM 424 OD1 ASP A 33 -0.014 -6.756 4.616 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.242 -5.792 2.617 1.00 0.00 O ATOM 0 H ASP A 33 -1.681 -5.654 5.245 1.00 0.00 H new ATOM 0 HA ASP A 33 0.185 -3.821 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.349 -3.631 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.508 -4.350 4.860 1.00 0.00 H new ATOM 430 N PHE A 34 -0.613 -1.671 5.291 1.00 0.00 N ATOM 431 CA PHE A 34 -1.284 -0.433 4.934 1.00 0.00 C ATOM 432 C PHE A 34 -0.578 0.255 3.765 1.00 0.00 C ATOM 433 O PHE A 34 0.428 -0.243 3.261 1.00 0.00 O ATOM 434 CB PHE A 34 -1.221 0.480 6.160 1.00 0.00 C ATOM 435 CG PHE A 34 -1.267 -0.267 7.495 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.360 -1.008 7.822 1.00 0.00 C ATOM 437 CD2 PHE A 34 -0.215 -0.191 8.353 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.402 -1.701 9.061 1.00 0.00 C ATOM 439 CE2 PHE A 34 -0.258 -0.884 9.592 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.350 -1.624 9.919 1.00 0.00 C ATOM 0 H PHE A 34 0.379 -1.571 5.508 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.311 -0.640 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.304 1.068 6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.053 1.183 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.195 -1.069 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.653 0.396 8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.270 -2.289 9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.577 -0.823 10.274 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.382 -2.151 10.861 1.00 0.00 H new ATOM 449 N LEU A 35 -1.132 1.390 3.364 1.00 0.00 N ATOM 450 CA LEU A 35 -0.568 2.152 2.264 1.00 0.00 C ATOM 451 C LEU A 35 0.896 2.475 2.569 1.00 0.00 C ATOM 452 O LEU A 35 1.657 2.830 1.672 1.00 0.00 O ATOM 453 CB LEU A 35 -1.423 3.388 1.974 1.00 0.00 C ATOM 454 CG LEU A 35 -2.868 3.337 2.473 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.645 4.578 2.032 1.00 0.00 C ATOM 456 CD2 LEU A 35 -3.555 2.043 2.030 1.00 0.00 C ATOM 0 H LEU A 35 -1.967 1.800 3.782 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.580 1.562 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.936 4.255 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.437 3.550 0.896 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.853 3.338 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.669 4.516 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.167 5.470 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.654 4.634 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.581 2.032 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.559 1.987 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.015 1.187 2.435 1.00 0.00 H new ATOM 467 N GLY A 36 1.246 2.339 3.840 1.00 0.00 N ATOM 468 CA GLY A 36 2.604 2.612 4.276 1.00 0.00 C ATOM 469 C GLY A 36 3.546 1.471 3.883 1.00 0.00 C ATOM 470 O GLY A 36 4.722 1.481 4.241 1.00 0.00 O ATOM 0 H GLY A 36 0.612 2.043 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.952 3.545 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.622 2.747 5.357 1.00 0.00 H new ATOM 474 N GLU A 37 2.991 0.515 3.151 1.00 0.00 N ATOM 475 CA GLU A 37 3.766 -0.630 2.705 1.00 0.00 C ATOM 476 C GLU A 37 4.621 -1.172 3.853 1.00 0.00 C ATOM 477 O GLU A 37 5.834 -1.317 3.714 1.00 0.00 O ATOM 478 CB GLU A 37 4.635 -0.269 1.499 1.00 0.00 C ATOM 479 CG GLU A 37 5.369 -1.500 0.963 1.00 0.00 C ATOM 480 CD GLU A 37 6.728 -1.116 0.376 1.00 0.00 C ATOM 481 OE1 GLU A 37 7.149 -1.689 -0.639 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.353 -0.183 1.013 1.00 0.00 O ATOM 0 H GLU A 37 2.015 0.510 2.856 1.00 0.00 H new ATOM 0 HA GLU A 37 3.074 -1.412 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.013 0.158 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.359 0.495 1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.507 -2.224 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.762 -1.985 0.198 1.00 0.00 H new ATOM 488 N ASP A 38 3.953 -1.457 4.962 1.00 0.00 N ATOM 489 CA ASP A 38 4.636 -1.979 6.134 1.00 0.00 C ATOM 490 C ASP A 38 3.678 -2.877 6.919 1.00 0.00 C ATOM 491 O ASP A 38 2.497 -2.970 6.588 1.00 0.00 O ATOM 492 CB ASP A 38 5.088 -0.848 7.059 1.00 0.00 C ATOM 493 CG ASP A 38 3.964 -0.156 7.830 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.451 0.893 7.411 1.00 0.00 O ATOM 495 OD2 ASP A 38 3.610 -0.744 8.923 1.00 0.00 O ATOM 0 H ASP A 38 2.946 -1.336 5.073 1.00 0.00 H new ATOM 0 HA ASP A 38 5.509 -2.537 5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.806 -1.249 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.614 -0.101 6.465 1.00 0.00 H new ATOM 500 N LEU A 39 4.223 -3.515 7.944 1.00 0.00 N ATOM 501 CA LEU A 39 3.432 -4.403 8.780 1.00 0.00 C ATOM 502 C LEU A 39 3.799 -4.177 10.248 1.00 0.00 C ATOM 503 O LEU A 39 4.947 -4.376 10.641 1.00 0.00 O ATOM 504 CB LEU A 39 3.591 -5.854 8.322 1.00 0.00 C ATOM 505 CG LEU A 39 2.520 -6.833 8.807 1.00 0.00 C ATOM 506 CD1 LEU A 39 3.005 -7.613 10.031 1.00 0.00 C ATOM 507 CD2 LEU A 39 1.199 -6.110 9.075 1.00 0.00 C ATOM 0 H LEU A 39 5.203 -3.435 8.215 1.00 0.00 H new ATOM 0 HA LEU A 39 2.371 -4.176 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.603 -5.871 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.563 -6.215 8.657 1.00 0.00 H new ATOM 0 HG LEU A 39 2.335 -7.559 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.225 -8.302 10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.902 -8.176 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.234 -6.917 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.454 -6.828 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.350 -5.349 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.850 -5.637 8.157 1.00 0.00 H new ATOM 518 N PHE A 40 2.803 -3.763 11.017 1.00 0.00 N ATOM 519 CA PHE A 40 3.006 -3.508 12.433 1.00 0.00 C ATOM 520 C PHE A 40 2.412 -4.633 13.283 1.00 0.00 C ATOM 521 O PHE A 40 2.152 -4.446 14.471 1.00 0.00 O ATOM 522 CB PHE A 40 2.283 -2.200 12.760 1.00 0.00 C ATOM 523 CG PHE A 40 0.877 -2.393 13.330 1.00 0.00 C ATOM 524 CD1 PHE A 40 -0.071 -3.040 12.599 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.573 -1.917 14.567 1.00 0.00 C ATOM 526 CE1 PHE A 40 -1.377 -3.219 13.127 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.733 -2.096 15.096 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.680 -2.743 14.365 1.00 0.00 C ATOM 0 H PHE A 40 1.852 -3.598 10.686 1.00 0.00 H new ATOM 0 HA PHE A 40 4.072 -3.449 12.652 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.880 -1.636 13.476 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.217 -1.597 11.855 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.170 -3.418 11.616 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.325 -1.403 15.147 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.129 -3.733 12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.974 -1.718 16.079 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.673 -2.879 14.767 1.00 0.00 H new ATOM 537 N PHE A 41 2.215 -5.775 12.643 1.00 0.00 N ATOM 538 CA PHE A 41 1.657 -6.929 13.327 1.00 0.00 C ATOM 539 C PHE A 41 2.721 -8.008 13.541 1.00 0.00 C ATOM 540 O PHE A 41 2.437 -9.061 14.108 1.00 0.00 O ATOM 541 CB PHE A 41 0.553 -7.491 12.427 1.00 0.00 C ATOM 542 CG PHE A 41 -0.844 -7.433 13.047 1.00 0.00 C ATOM 543 CD1 PHE A 41 -1.297 -8.469 13.801 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.633 -6.343 12.844 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.595 -8.415 14.376 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.930 -6.289 13.419 1.00 0.00 C ATOM 547 CZ PHE A 41 -3.383 -7.326 14.173 1.00 0.00 C ATOM 0 H PHE A 41 2.432 -5.926 11.658 1.00 0.00 H new ATOM 0 HA PHE A 41 1.276 -6.633 14.304 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.546 -6.937 11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.789 -8.527 12.184 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.670 -9.333 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.273 -5.519 12.246 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.956 -9.239 14.974 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.557 -5.424 13.258 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.369 -7.284 14.611 1.00 0.00 H new ATOM 556 N CYS A 42 3.925 -7.707 13.074 1.00 0.00 N ATOM 557 CA CYS A 42 5.033 -8.638 13.208 1.00 0.00 C ATOM 558 C CYS A 42 5.934 -8.151 14.345 1.00 0.00 C ATOM 559 O CYS A 42 6.138 -8.860 15.328 1.00 0.00 O ATOM 560 CB CYS A 42 5.802 -8.793 11.895 1.00 0.00 C ATOM 561 SG CYS A 42 7.582 -9.043 12.240 1.00 0.00 S ATOM 0 H CYS A 42 4.157 -6.832 12.603 1.00 0.00 H new ATOM 0 HA CYS A 42 4.652 -9.631 13.448 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.410 -9.640 11.332 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.664 -7.907 11.276 1.00 0.00 H new ATOM 0 HG CYS A 42 8.289 -8.363 11.387 1.00 0.00 H new ATOM 566 N CYS A 43 6.450 -6.943 14.171 1.00 0.00 N ATOM 567 CA CYS A 43 7.325 -6.353 15.170 1.00 0.00 C ATOM 568 C CYS A 43 6.543 -5.268 15.914 1.00 0.00 C ATOM 569 O CYS A 43 6.467 -5.284 17.141 1.00 0.00 O ATOM 570 CB CYS A 43 8.608 -5.802 14.543 1.00 0.00 C ATOM 571 SG CYS A 43 9.966 -7.013 14.732 1.00 0.00 S ATOM 0 H CYS A 43 6.279 -6.357 13.354 1.00 0.00 H new ATOM 0 HA CYS A 43 7.643 -7.120 15.877 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.444 -5.589 13.487 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.880 -4.860 15.020 1.00 0.00 H new ATOM 0 HG CYS A 43 11.050 -6.537 14.195 1.00 0.00 H new ATOM 576 N ASP A 44 5.979 -4.353 15.140 1.00 0.00 N ATOM 577 CA ASP A 44 5.205 -3.264 15.710 1.00 0.00 C ATOM 578 C ASP A 44 6.113 -2.406 16.593 1.00 0.00 C ATOM 579 O ASP A 44 5.631 -1.602 17.390 1.00 0.00 O ATOM 580 CB ASP A 44 4.064 -3.795 16.579 1.00 0.00 C ATOM 581 CG ASP A 44 3.823 -5.302 16.480 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.912 -5.893 15.393 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.528 -5.882 17.594 1.00 0.00 O ATOM 0 H ASP A 44 6.043 -4.343 14.122 1.00 0.00 H new ATOM 0 HA ASP A 44 4.790 -2.679 14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.272 -3.543 17.619 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.146 -3.277 16.303 1.00 0.00 H new ATOM 588 N ILE A 45 7.413 -2.607 16.423 1.00 0.00 N ATOM 589 CA ILE A 45 8.392 -1.862 17.195 1.00 0.00 C ATOM 590 C ILE A 45 9.015 -0.780 16.311 1.00 0.00 C ATOM 591 O ILE A 45 8.899 0.409 16.605 1.00 0.00 O ATOM 592 CB ILE A 45 9.417 -2.812 17.818 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.778 -3.661 18.919 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.640 -2.044 18.324 1.00 0.00 C ATOM 595 CD1 ILE A 45 8.596 -2.849 20.203 1.00 0.00 C ATOM 0 H ILE A 45 7.810 -3.275 15.762 1.00 0.00 H new ATOM 0 HA ILE A 45 7.912 -1.354 18.031 1.00 0.00 H new ATOM 0 HB ILE A 45 9.764 -3.496 17.044 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.811 -4.034 18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.403 -4.531 19.121 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.353 -2.743 18.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.110 -1.520 17.492 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.329 -1.322 19.079 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.140 -3.476 20.969 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.567 -2.498 20.552 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.951 -1.993 20.004 1.00 0.00 H new ATOM 606 N CYS A 46 9.663 -1.230 15.247 1.00 0.00 N ATOM 607 CA CYS A 46 10.304 -0.314 14.318 1.00 0.00 C ATOM 608 C CYS A 46 9.296 0.046 13.225 1.00 0.00 C ATOM 609 O CYS A 46 9.534 0.954 12.430 1.00 0.00 O ATOM 610 CB CYS A 46 11.590 -0.907 13.738 1.00 0.00 C ATOM 611 SG CYS A 46 11.240 -2.530 12.970 1.00 0.00 S ATOM 0 H CYS A 46 9.758 -2.217 15.007 1.00 0.00 H new ATOM 0 HA CYS A 46 10.605 0.592 14.844 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.011 -0.228 12.997 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.335 -1.021 14.525 1.00 0.00 H new ATOM 0 HG CYS A 46 12.338 -3.023 12.479 1.00 0.00 H new ATOM 616 N ALA A 47 8.192 -0.686 13.218 1.00 0.00 N ATOM 617 CA ALA A 47 7.147 -0.456 12.235 1.00 0.00 C ATOM 618 C ALA A 47 6.025 0.366 12.873 1.00 0.00 C ATOM 619 O ALA A 47 6.009 0.565 14.086 1.00 0.00 O ATOM 620 CB ALA A 47 6.651 -1.798 11.693 1.00 0.00 C ATOM 0 H ALA A 47 7.998 -1.439 13.878 1.00 0.00 H new ATOM 0 HA ALA A 47 7.534 0.114 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.867 -1.625 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.479 -2.330 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.253 -2.397 12.512 1.00 0.00 H new ATOM 626 N ALA A 48 5.114 0.823 12.025 1.00 0.00 N ATOM 627 CA ALA A 48 3.992 1.618 12.491 1.00 0.00 C ATOM 628 C ALA A 48 4.463 3.049 12.760 1.00 0.00 C ATOM 629 O ALA A 48 4.447 3.508 13.901 1.00 0.00 O ATOM 630 CB ALA A 48 3.380 0.964 13.731 1.00 0.00 C ATOM 0 H ALA A 48 5.131 0.657 11.019 1.00 0.00 H new ATOM 0 HA ALA A 48 3.213 1.664 11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.538 1.562 14.080 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.034 -0.039 13.480 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.132 0.902 14.518 1.00 0.00 H new ATOM 636 N GLU A 49 4.871 3.715 11.690 1.00 0.00 N ATOM 637 CA GLU A 49 5.347 5.083 11.796 1.00 0.00 C ATOM 638 C GLU A 49 4.167 6.058 11.773 1.00 0.00 C ATOM 639 O GLU A 49 3.210 5.861 11.026 1.00 0.00 O ATOM 640 CB GLU A 49 6.346 5.405 10.683 1.00 0.00 C ATOM 641 CG GLU A 49 7.733 4.853 11.016 1.00 0.00 C ATOM 642 CD GLU A 49 8.447 5.741 12.037 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.593 5.350 13.205 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.857 6.876 11.580 1.00 0.00 O ATOM 0 H GLU A 49 4.882 3.332 10.745 1.00 0.00 H new ATOM 0 HA GLU A 49 5.867 5.193 12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.997 4.979 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.404 6.484 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.640 3.841 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.330 4.787 10.106 1.00 0.00 H new ATOM 650 N PHE A 50 4.277 7.088 12.599 1.00 0.00 N ATOM 651 CA PHE A 50 3.230 8.095 12.682 1.00 0.00 C ATOM 652 C PHE A 50 3.311 9.068 11.504 1.00 0.00 C ATOM 653 O PHE A 50 2.422 9.897 11.317 1.00 0.00 O ATOM 654 CB PHE A 50 3.455 8.867 13.983 1.00 0.00 C ATOM 655 CG PHE A 50 2.462 8.519 15.093 1.00 0.00 C ATOM 656 CD1 PHE A 50 2.142 7.218 15.336 1.00 0.00 C ATOM 657 CD2 PHE A 50 1.899 9.508 15.837 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.220 6.895 16.366 1.00 0.00 C ATOM 659 CE2 PHE A 50 0.977 9.185 16.867 1.00 0.00 C ATOM 660 CZ PHE A 50 0.657 7.885 17.111 1.00 0.00 C ATOM 0 H PHE A 50 5.073 7.248 13.216 1.00 0.00 H new ATOM 0 HA PHE A 50 2.251 7.617 12.657 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.466 8.671 14.340 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.392 9.935 13.775 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.589 6.432 14.745 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.153 10.540 15.644 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.965 5.863 16.558 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.529 9.971 17.457 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.043 7.639 17.895 1.00 0.00 H new ATOM 669 N MET A 51 4.385 8.934 10.740 1.00 0.00 N ATOM 670 CA MET A 51 4.593 9.792 9.585 1.00 0.00 C ATOM 671 C MET A 51 3.611 9.448 8.464 1.00 0.00 C ATOM 672 O MET A 51 3.566 10.134 7.443 1.00 0.00 O ATOM 673 CB MET A 51 6.027 9.625 9.078 1.00 0.00 C ATOM 674 CG MET A 51 7.034 10.181 10.087 1.00 0.00 C ATOM 675 SD MET A 51 7.849 11.617 9.408 1.00 0.00 S ATOM 676 CE MET A 51 7.192 12.883 10.480 1.00 0.00 C ATOM 0 H MET A 51 5.120 8.245 10.898 1.00 0.00 H new ATOM 0 HA MET A 51 4.423 10.826 9.887 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.232 8.570 8.898 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.141 10.139 8.124 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.525 10.446 11.013 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.771 9.418 10.336 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.601 13.852 10.193 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.106 12.907 10.391 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.467 12.665 11.512 1.00 0.00 H new ATOM 684 N ASN A 52 2.851 8.388 8.690 1.00 0.00 N ATOM 685 CA ASN A 52 1.872 7.947 7.711 1.00 0.00 C ATOM 686 C ASN A 52 0.483 8.427 8.132 1.00 0.00 C ATOM 687 O ASN A 52 0.305 8.930 9.240 1.00 0.00 O ATOM 688 CB ASN A 52 1.836 6.419 7.618 1.00 0.00 C ATOM 689 CG ASN A 52 3.204 5.862 7.217 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.923 5.280 8.012 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.521 6.072 5.943 1.00 0.00 N ATOM 0 H ASN A 52 2.893 7.821 9.537 1.00 0.00 H new ATOM 0 HA ASN A 52 2.154 8.361 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.536 6.000 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.087 6.113 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.413 5.738 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.872 6.567 5.331 1.00 0.00 H new ATOM 697 N MET A 53 -0.469 8.254 7.226 1.00 0.00 N ATOM 698 CA MET A 53 -1.837 8.664 7.490 1.00 0.00 C ATOM 699 C MET A 53 -2.602 7.572 8.242 1.00 0.00 C ATOM 700 O MET A 53 -2.203 6.408 8.227 1.00 0.00 O ATOM 701 CB MET A 53 -2.545 8.964 6.167 1.00 0.00 C ATOM 702 CG MET A 53 -2.862 10.455 6.040 1.00 0.00 C ATOM 703 SD MET A 53 -4.011 10.945 7.315 1.00 0.00 S ATOM 704 CE MET A 53 -4.249 12.659 6.876 1.00 0.00 C ATOM 0 H MET A 53 -0.319 7.835 6.308 1.00 0.00 H new ATOM 0 HA MET A 53 -1.814 9.559 8.111 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.915 8.650 5.334 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.467 8.386 6.105 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.945 11.038 6.121 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.286 10.663 5.057 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.945 13.121 7.576 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.293 13.181 6.917 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.654 12.723 5.866 1.00 0.00 H new ATOM 712 N MET A 54 -3.685 7.986 8.881 1.00 0.00 N ATOM 713 CA MET A 54 -4.509 7.058 9.637 1.00 0.00 C ATOM 714 C MET A 54 -5.160 6.026 8.715 1.00 0.00 C ATOM 715 O MET A 54 -5.331 4.869 9.094 1.00 0.00 O ATOM 716 CB MET A 54 -5.595 7.833 10.387 1.00 0.00 C ATOM 717 CG MET A 54 -5.596 7.476 11.874 1.00 0.00 C ATOM 718 SD MET A 54 -6.997 8.231 12.682 1.00 0.00 S ATOM 719 CE MET A 54 -7.977 6.779 13.025 1.00 0.00 C ATOM 0 H MET A 54 -4.012 8.952 8.891 1.00 0.00 H new ATOM 0 HA MET A 54 -3.872 6.531 10.347 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.431 8.904 10.267 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.570 7.609 9.955 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.635 6.394 11.997 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.671 7.816 12.339 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.896 7.072 13.532 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.223 6.277 12.089 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.411 6.100 13.663 1.00 0.00 H new ATOM 727 N ASP A 55 -5.508 6.483 7.520 1.00 0.00 N ATOM 728 CA ASP A 55 -6.137 5.615 6.541 1.00 0.00 C ATOM 729 C ASP A 55 -5.390 4.279 6.495 1.00 0.00 C ATOM 730 O ASP A 55 -6.002 3.229 6.311 1.00 0.00 O ATOM 731 CB ASP A 55 -6.085 6.233 5.142 1.00 0.00 C ATOM 732 CG ASP A 55 -6.934 7.493 4.960 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.993 7.460 4.315 1.00 0.00 O ATOM 734 OD2 ASP A 55 -6.461 8.554 5.519 1.00 0.00 O ATOM 0 H ASP A 55 -5.366 7.444 7.209 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.177 5.474 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.049 6.474 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.411 5.486 4.419 1.00 0.00 H new ATOM 739 N GLU A 56 -4.080 4.364 6.666 1.00 0.00 N ATOM 740 CA GLU A 56 -3.244 3.176 6.648 1.00 0.00 C ATOM 741 C GLU A 56 -3.883 2.064 7.481 1.00 0.00 C ATOM 742 O GLU A 56 -4.096 0.958 6.987 1.00 0.00 O ATOM 743 CB GLU A 56 -1.832 3.491 7.144 1.00 0.00 C ATOM 744 CG GLU A 56 -0.842 3.558 5.979 1.00 0.00 C ATOM 745 CD GLU A 56 -0.684 4.994 5.476 1.00 0.00 C ATOM 746 OE1 GLU A 56 -1.026 5.945 6.195 1.00 0.00 O ATOM 747 OE2 GLU A 56 -0.185 5.104 4.291 1.00 0.00 O ATOM 0 H GLU A 56 -3.576 5.238 6.818 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.162 2.829 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.834 4.441 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.513 2.727 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.126 3.172 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.188 2.920 5.166 1.00 0.00 H new ATOM 753 N ALA A 57 -4.172 2.396 8.731 1.00 0.00 N ATOM 754 CA ALA A 57 -4.783 1.440 9.638 1.00 0.00 C ATOM 755 C ALA A 57 -6.174 1.071 9.121 1.00 0.00 C ATOM 756 O ALA A 57 -6.491 -0.108 8.967 1.00 0.00 O ATOM 757 CB ALA A 57 -4.822 2.028 11.049 1.00 0.00 C ATOM 0 H ALA A 57 -3.994 3.315 9.137 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.195 0.524 9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.281 1.311 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.807 2.245 11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.407 2.948 11.044 1.00 0.00 H new ATOM 763 N PHE A 58 -6.969 2.099 8.866 1.00 0.00 N ATOM 764 CA PHE A 58 -8.320 1.898 8.370 1.00 0.00 C ATOM 765 C PHE A 58 -8.341 0.860 7.246 1.00 0.00 C ATOM 766 O PHE A 58 -9.170 -0.049 7.252 1.00 0.00 O ATOM 767 CB PHE A 58 -8.797 3.241 7.816 1.00 0.00 C ATOM 768 CG PHE A 58 -10.196 3.646 8.287 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.536 3.517 9.598 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.098 4.137 7.395 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.834 3.893 10.035 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.396 4.513 7.833 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.736 4.383 9.144 1.00 0.00 C ATOM 0 H PHE A 58 -6.703 3.075 8.994 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.962 1.538 9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.088 4.016 8.108 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.790 3.197 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.819 3.129 10.306 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.828 4.241 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.104 3.790 11.075 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.113 4.902 7.125 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.723 4.669 9.477 1.00 0.00 H new ATOM 782 N LYS A 59 -7.420 1.030 6.309 1.00 0.00 N ATOM 783 CA LYS A 59 -7.322 0.118 5.182 1.00 0.00 C ATOM 784 C LYS A 59 -7.421 -1.323 5.686 1.00 0.00 C ATOM 785 O LYS A 59 -8.180 -2.124 5.143 1.00 0.00 O ATOM 786 CB LYS A 59 -6.056 0.402 4.372 1.00 0.00 C ATOM 787 CG LYS A 59 -5.341 -0.899 3.999 1.00 0.00 C ATOM 788 CD LYS A 59 -4.397 -0.686 2.814 1.00 0.00 C ATOM 789 CE LYS A 59 -3.969 -2.023 2.207 1.00 0.00 C ATOM 790 NZ LYS A 59 -5.117 -2.953 2.139 1.00 0.00 N ATOM 0 H LYS A 59 -6.735 1.786 6.307 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.153 0.272 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.315 0.952 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.385 1.037 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.777 -1.267 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.077 -1.664 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.891 -0.080 2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.517 -0.132 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.564 -1.862 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.172 -2.463 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.850 -3.795 1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.389 -3.240 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.920 -2.480 1.679 1.00 0.00 H new ATOM 799 N HIS A 60 -6.642 -1.609 6.719 1.00 0.00 N ATOM 800 CA HIS A 60 -6.632 -2.939 7.303 1.00 0.00 C ATOM 801 C HIS A 60 -8.070 -3.413 7.524 1.00 0.00 C ATOM 802 O HIS A 60 -8.456 -4.480 7.047 1.00 0.00 O ATOM 803 CB HIS A 60 -5.796 -2.964 8.584 1.00 0.00 C ATOM 804 CG HIS A 60 -6.593 -3.266 9.831 1.00 0.00 C ATOM 805 ND1 HIS A 60 -7.163 -2.277 10.613 1.00 0.00 N ATOM 806 CD2 HIS A 60 -6.906 -4.455 10.422 1.00 0.00 C ATOM 807 CE1 HIS A 60 -7.790 -2.856 11.626 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.629 -4.206 11.507 1.00 0.00 N ATOM 0 H HIS A 60 -6.013 -0.942 7.166 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.157 -3.639 6.615 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.009 -3.711 8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.305 -1.999 8.704 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -7.109 -1.273 10.439 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.615 -5.433 10.067 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.334 -2.349 12.409 1.00 0.00 H new ATOM 815 N THR A 61 -8.824 -2.599 8.248 1.00 0.00 N ATOM 816 CA THR A 61 -10.210 -2.922 8.537 1.00 0.00 C ATOM 817 C THR A 61 -10.978 -3.191 7.241 1.00 0.00 C ATOM 818 O THR A 61 -11.863 -4.044 7.205 1.00 0.00 O ATOM 819 CB THR A 61 -10.798 -1.778 9.366 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.371 -2.058 10.696 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.326 -1.837 9.444 1.00 0.00 C ATOM 0 H THR A 61 -8.501 -1.716 8.643 1.00 0.00 H new ATOM 0 HA THR A 61 -10.289 -3.840 9.120 1.00 0.00 H new ATOM 0 HB THR A 61 -10.493 -0.824 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.707 -1.364 11.300 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.692 -1.003 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.744 -1.773 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.631 -2.777 9.905 1.00 0.00 H new ATOM 829 N ALA A 62 -10.610 -2.447 6.208 1.00 0.00 N ATOM 830 CA ALA A 62 -11.253 -2.595 4.914 1.00 0.00 C ATOM 831 C ALA A 62 -10.748 -3.872 4.241 1.00 0.00 C ATOM 832 O ALA A 62 -11.539 -4.665 3.734 1.00 0.00 O ATOM 833 CB ALA A 62 -10.990 -1.347 4.068 1.00 0.00 C ATOM 0 H ALA A 62 -9.875 -1.740 6.241 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.333 -2.689 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.472 -1.458 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.394 -0.471 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.916 -1.222 3.928 1.00 0.00 H new ATOM 839 N ARG A 63 -9.432 -4.031 4.258 1.00 0.00 N ATOM 840 CA ARG A 63 -8.812 -5.199 3.656 1.00 0.00 C ATOM 841 C ARG A 63 -9.051 -6.435 4.526 1.00 0.00 C ATOM 842 O ARG A 63 -8.484 -7.496 4.272 1.00 0.00 O ATOM 843 CB ARG A 63 -7.307 -4.994 3.478 1.00 0.00 C ATOM 844 CG ARG A 63 -6.703 -6.095 2.606 1.00 0.00 C ATOM 845 CD ARG A 63 -5.399 -6.621 3.210 1.00 0.00 C ATOM 846 NE ARG A 63 -4.797 -7.633 2.315 1.00 0.00 N ATOM 847 CZ ARG A 63 -3.821 -8.488 2.686 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.326 -8.460 3.943 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.356 -9.353 1.804 1.00 0.00 N ATOM 0 H ARG A 63 -8.779 -3.370 4.679 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.266 -5.346 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.120 -4.021 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.819 -4.989 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.416 -6.913 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.514 -5.708 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.701 -5.798 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.593 -7.059 4.189 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.141 -7.688 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.690 -7.789 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.588 -9.110 4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.734 -9.369 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.618 -10.006 2.070 1.00 0.00 H new ATOM 859 N HIS A 64 -9.893 -6.257 5.533 1.00 0.00 N ATOM 860 CA HIS A 64 -10.214 -7.344 6.442 1.00 0.00 C ATOM 861 C HIS A 64 -11.257 -8.260 5.798 1.00 0.00 C ATOM 862 O HIS A 64 -11.046 -9.467 5.691 1.00 0.00 O ATOM 863 CB HIS A 64 -10.661 -6.802 7.801 1.00 0.00 C ATOM 864 CG HIS A 64 -10.825 -7.864 8.862 1.00 0.00 C ATOM 865 ND1 HIS A 64 -10.197 -9.096 8.793 1.00 0.00 N ATOM 866 CD2 HIS A 64 -11.548 -7.865 10.018 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.537 -9.799 9.863 1.00 0.00 C ATOM 868 NE2 HIS A 64 -11.375 -9.035 10.621 1.00 0.00 N ATOM 0 H HIS A 64 -10.363 -5.376 5.740 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.322 -7.941 6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.932 -6.068 8.146 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.608 -6.277 7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.158 -7.052 10.382 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.208 -10.801 10.095 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.799 -9.316 11.505 1.00 0.00 H new ATOM 875 N ASN A 65 -12.359 -7.651 5.385 1.00 0.00 N ATOM 876 CA ASN A 65 -13.435 -8.397 4.754 1.00 0.00 C ATOM 877 C ASN A 65 -13.581 -7.942 3.302 1.00 0.00 C ATOM 878 O ASN A 65 -13.550 -8.761 2.384 1.00 0.00 O ATOM 879 CB ASN A 65 -14.767 -8.149 5.464 1.00 0.00 C ATOM 880 CG ASN A 65 -14.903 -6.682 5.878 1.00 0.00 C ATOM 881 OD1 ASN A 65 -15.354 -5.836 5.124 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.488 -6.429 7.116 1.00 0.00 N ATOM 0 H ASN A 65 -12.530 -6.649 5.475 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.189 -9.457 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.591 -8.422 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.838 -8.787 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.537 -5.480 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.121 -7.184 7.695 1.00 0.00 H new ATOM 888 N VAL A 66 -13.738 -6.637 3.137 1.00 0.00 N ATOM 889 CA VAL A 66 -13.889 -6.062 1.810 1.00 0.00 C ATOM 890 C VAL A 66 -12.525 -5.589 1.305 1.00 0.00 C ATOM 891 O VAL A 66 -11.489 -6.045 1.785 1.00 0.00 O ATOM 892 CB VAL A 66 -14.937 -4.947 1.839 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.274 -5.466 2.371 1.00 0.00 C ATOM 894 CG2 VAL A 66 -14.444 -3.754 2.661 1.00 0.00 C ATOM 0 H VAL A 66 -13.764 -5.961 3.900 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.252 -6.812 1.108 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.094 -4.606 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.001 -4.654 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.635 -6.268 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.140 -5.846 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.207 -2.975 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.245 -4.074 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.528 -3.362 2.219 1.00 0.00 H new ATOM 904 N ASP A 67 -12.569 -4.679 0.343 1.00 0.00 N ATOM 905 CA ASP A 67 -11.349 -4.137 -0.232 1.00 0.00 C ATOM 906 C ASP A 67 -11.479 -2.618 -0.356 1.00 0.00 C ATOM 907 O ASP A 67 -12.540 -2.110 -0.715 1.00 0.00 O ATOM 908 CB ASP A 67 -11.100 -4.707 -1.629 1.00 0.00 C ATOM 909 CG ASP A 67 -11.929 -4.069 -2.745 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.382 -3.493 -3.698 1.00 0.00 O ATOM 911 OD2 ASP A 67 -13.207 -4.181 -2.608 1.00 0.00 O ATOM 0 H ASP A 67 -13.431 -4.303 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.519 -4.407 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.043 -4.590 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.306 -5.777 -1.610 1.00 0.00 H new ATOM 916 N GLU A 68 -10.385 -1.936 -0.052 1.00 0.00 N ATOM 917 CA GLU A 68 -10.363 -0.485 -0.126 1.00 0.00 C ATOM 918 C GLU A 68 -9.043 -0.003 -0.731 1.00 0.00 C ATOM 919 O GLU A 68 -7.983 -0.550 -0.430 1.00 0.00 O ATOM 920 CB GLU A 68 -10.594 0.137 1.252 1.00 0.00 C ATOM 921 CG GLU A 68 -12.079 0.414 1.488 1.00 0.00 C ATOM 922 CD GLU A 68 -12.285 1.295 2.722 1.00 0.00 C ATOM 923 OE1 GLU A 68 -11.658 2.359 2.835 1.00 0.00 O ATOM 924 OE2 GLU A 68 -13.132 0.841 3.582 1.00 0.00 O ATOM 0 H GLU A 68 -9.507 -2.361 0.246 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.176 -0.162 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.219 -0.534 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.030 1.066 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.504 0.904 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.612 -0.528 1.617 1.00 0.00 H new ATOM 930 N LEU A 69 -9.151 1.015 -1.573 1.00 0.00 N ATOM 931 CA LEU A 69 -7.978 1.575 -2.222 1.00 0.00 C ATOM 932 C LEU A 69 -8.045 3.101 -2.156 1.00 0.00 C ATOM 933 O LEU A 69 -9.063 3.698 -2.501 1.00 0.00 O ATOM 934 CB LEU A 69 -7.841 1.027 -3.645 1.00 0.00 C ATOM 935 CG LEU A 69 -9.075 0.326 -4.216 1.00 0.00 C ATOM 936 CD1 LEU A 69 -9.301 -1.026 -3.537 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.308 1.227 -4.124 1.00 0.00 C ATOM 0 H LEU A 69 -10.032 1.466 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.071 1.272 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.578 1.852 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.008 0.325 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.898 0.129 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.184 -1.503 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.432 -1.664 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.448 -0.876 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.172 0.705 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.499 1.476 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.133 2.142 -4.690 1.00 0.00 H new ATOM 948 N HIS A 70 -6.946 3.691 -1.707 1.00 0.00 N ATOM 949 CA HIS A 70 -6.867 5.137 -1.590 1.00 0.00 C ATOM 950 C HIS A 70 -5.445 5.601 -1.913 1.00 0.00 C ATOM 951 O HIS A 70 -4.473 4.957 -1.519 1.00 0.00 O ATOM 952 CB HIS A 70 -7.341 5.597 -0.211 1.00 0.00 C ATOM 953 CG HIS A 70 -8.808 5.346 0.050 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.900 5.547 -0.741 1.00 0.00 N flip ATOM 955 CD2 HIS A 70 -9.279 4.830 1.244 1.00 0.00 C flip ATOM 956 CE1 HIS A 70 -10.981 5.171 -0.067 1.00 0.00 C flip ATOM 957 NE2 HIS A 70 -10.597 4.727 1.164 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.103 3.193 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.537 5.601 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.754 5.086 0.553 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.141 6.663 -0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.675 4.557 2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.996 5.210 -0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.216 4.377 1.895 1.00 0.00 H new ATOM 964 N ILE A 71 -5.368 6.714 -2.627 1.00 0.00 N ATOM 965 CA ILE A 71 -4.082 7.272 -3.008 1.00 0.00 C ATOM 966 C ILE A 71 -4.092 8.782 -2.762 1.00 0.00 C ATOM 967 O ILE A 71 -5.012 9.478 -3.187 1.00 0.00 O ATOM 968 CB ILE A 71 -3.735 6.886 -4.448 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.203 8.091 -5.225 1.00 0.00 C ATOM 970 CG2 ILE A 71 -4.932 6.237 -5.144 1.00 0.00 C ATOM 971 CD1 ILE A 71 -1.832 8.521 -4.700 1.00 0.00 C ATOM 0 H ILE A 71 -6.176 7.245 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.288 6.853 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.937 6.144 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.129 7.842 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.905 8.921 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.659 5.972 -6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.225 5.338 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.767 6.938 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.477 9.380 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.914 8.793 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.126 7.697 -4.808 1.00 0.00 H new ATOM 982 N ASP A 72 -3.057 9.244 -2.075 1.00 0.00 N ATOM 983 CA ASP A 72 -2.936 10.659 -1.766 1.00 0.00 C ATOM 984 C ASP A 72 -1.460 11.059 -1.801 1.00 0.00 C ATOM 985 O ASP A 72 -0.599 10.310 -1.342 1.00 0.00 O ATOM 986 CB ASP A 72 -3.476 10.966 -0.368 1.00 0.00 C ATOM 987 CG ASP A 72 -4.045 12.376 -0.191 1.00 0.00 C ATOM 988 OD1 ASP A 72 -4.814 12.864 -1.030 1.00 0.00 O ATOM 989 OD2 ASP A 72 -3.662 12.987 0.879 1.00 0.00 O ATOM 0 H ASP A 72 -2.295 8.664 -1.724 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.512 11.216 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.256 10.243 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.674 10.820 0.355 1.00 0.00 H new ATOM 994 N GLY A 73 -1.212 12.239 -2.350 1.00 0.00 N ATOM 995 CA GLY A 73 0.145 12.747 -2.450 1.00 0.00 C ATOM 996 C GLY A 73 0.213 14.218 -2.030 1.00 0.00 C ATOM 997 O GLY A 73 -0.572 15.038 -2.505 1.00 0.00 O ATOM 0 H GLY A 73 -1.928 12.858 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.807 12.154 -1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.502 12.641 -3.474 1.00 0.00 H new ATOM 1001 N ASN A 74 1.157 14.504 -1.146 1.00 0.00 N ATOM 1002 CA ASN A 74 1.336 15.861 -0.657 1.00 0.00 C ATOM 1003 C ASN A 74 2.826 16.120 -0.422 1.00 0.00 C ATOM 1004 O ASN A 74 3.541 15.250 0.072 1.00 0.00 O ATOM 1005 CB ASN A 74 0.605 16.069 0.670 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.825 16.561 0.437 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.765 15.790 0.337 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -0.935 17.885 0.355 1.00 0.00 N ATOM 0 H ASN A 74 1.806 13.820 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 74 0.931 16.545 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.585 15.133 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.148 16.792 1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.848 18.312 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.106 18.472 0.448 1.00 0.00 H new ATOM 1014 N TYR A 75 3.249 17.322 -0.787 1.00 0.00 N ATOM 1015 CA TYR A 75 4.640 17.707 -0.622 1.00 0.00 C ATOM 1016 C TYR A 75 4.969 17.957 0.851 1.00 0.00 C ATOM 1017 O TYR A 75 6.115 18.240 1.197 1.00 0.00 O ATOM 1018 CB TYR A 75 4.812 19.014 -1.398 1.00 0.00 C ATOM 1019 CG TYR A 75 4.235 18.975 -2.815 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.007 18.517 -3.863 1.00 0.00 C ATOM 1021 CD2 TYR A 75 2.941 19.398 -3.045 1.00 0.00 C ATOM 1022 CE1 TYR A 75 4.464 18.482 -5.196 1.00 0.00 C ATOM 1023 CE2 TYR A 75 2.398 19.362 -4.377 1.00 0.00 C ATOM 1024 CZ TYR A 75 3.186 18.905 -5.387 1.00 0.00 C ATOM 1025 OH TYR A 75 2.673 18.871 -6.647 1.00 0.00 O ATOM 0 H TYR A 75 2.653 18.041 -1.196 1.00 0.00 H new ATOM 0 HA TYR A 75 5.301 16.918 -0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.332 19.820 -0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.874 19.254 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.019 18.185 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.336 19.756 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.058 18.128 -6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.388 19.690 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 75 1.750 19.201 -6.634 1.00 0.00 H new ATOM 1034 N GLN A 76 3.943 17.844 1.682 1.00 0.00 N ATOM 1035 CA GLN A 76 4.108 18.055 3.110 1.00 0.00 C ATOM 1036 C GLN A 76 3.975 16.728 3.861 1.00 0.00 C ATOM 1037 O GLN A 76 4.348 16.632 5.029 1.00 0.00 O ATOM 1038 CB GLN A 76 3.102 19.083 3.632 1.00 0.00 C ATOM 1039 CG GLN A 76 3.348 20.457 3.007 1.00 0.00 C ATOM 1040 CD GLN A 76 3.283 21.561 4.065 1.00 0.00 C ATOM 1041 OE1 GLN A 76 4.266 22.208 4.386 1.00 0.00 O ATOM 1042 NE2 GLN A 76 2.073 21.738 4.586 1.00 0.00 N ATOM 0 H GLN A 76 2.993 17.609 1.393 1.00 0.00 H new ATOM 0 HA GLN A 76 5.108 18.452 3.286 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.088 18.753 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.179 19.154 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.324 20.470 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.605 20.646 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.293 21.161 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.925 22.451 5.300 1.00 0.00 H new ATOM 1049 N LEU A 77 3.442 15.738 3.159 1.00 0.00 N ATOM 1050 CA LEU A 77 3.256 14.421 3.745 1.00 0.00 C ATOM 1051 C LEU A 77 4.522 14.023 4.506 1.00 0.00 C ATOM 1052 O LEU A 77 4.495 13.873 5.726 1.00 0.00 O ATOM 1053 CB LEU A 77 2.839 13.413 2.673 1.00 0.00 C ATOM 1054 CG LEU A 77 1.813 12.362 3.103 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.418 12.976 3.227 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.828 11.161 2.156 1.00 0.00 C ATOM 0 H LEU A 77 3.133 15.822 2.190 1.00 0.00 H new ATOM 0 HA LEU A 77 2.441 14.437 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.432 13.963 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.732 12.897 2.321 1.00 0.00 H new ATOM 0 HG LEU A 77 2.093 11.996 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.292 12.208 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.436 13.772 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.114 13.387 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.090 10.429 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.587 11.491 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.818 10.705 2.162 1.00 0.00 H new ATOM 1067 N GLY A 78 5.601 13.863 3.753 1.00 0.00 N ATOM 1068 CA GLY A 78 6.874 13.485 4.341 1.00 0.00 C ATOM 1069 C GLY A 78 7.720 12.685 3.348 1.00 0.00 C ATOM 1070 O GLY A 78 8.464 11.788 3.742 1.00 0.00 O ATOM 0 H GLY A 78 5.619 13.988 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.416 14.379 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.702 12.891 5.239 1.00 0.00 H new ATOM 1074 N ARG A 79 7.580 13.041 2.079 1.00 0.00 N ATOM 1075 CA ARG A 79 8.322 12.367 1.027 1.00 0.00 C ATOM 1076 C ARG A 79 8.216 10.849 1.189 1.00 0.00 C ATOM 1077 O ARG A 79 9.228 10.153 1.224 1.00 0.00 O ATOM 1078 CB ARG A 79 9.798 12.773 1.048 1.00 0.00 C ATOM 1079 CG ARG A 79 9.974 14.164 1.659 1.00 0.00 C ATOM 1080 CD ARG A 79 11.163 14.893 1.029 1.00 0.00 C ATOM 1081 NE ARG A 79 11.691 15.908 1.967 1.00 0.00 N ATOM 1082 CZ ARG A 79 13.002 16.190 2.117 1.00 0.00 C ATOM 1083 NH1 ARG A 79 13.932 15.536 1.389 1.00 0.00 N ATOM 1084 NH2 ARG A 79 13.362 17.116 2.987 1.00 0.00 N ATOM 0 H ARG A 79 6.964 13.787 1.756 1.00 0.00 H new ATOM 0 HA ARG A 79 7.887 12.664 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.371 12.045 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.196 12.764 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.065 14.748 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.125 14.076 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.946 14.178 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.855 15.371 0.099 1.00 0.00 H new ATOM 0 HE ARG A 79 11.022 16.427 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.646 14.822 0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.921 15.756 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.653 17.606 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.349 17.341 3.113 1.00 0.00 H new ATOM 1094 N ASN A 80 6.979 10.382 1.283 1.00 0.00 N ATOM 1095 CA ASN A 80 6.728 8.960 1.441 1.00 0.00 C ATOM 1096 C ASN A 80 5.980 8.439 0.212 1.00 0.00 C ATOM 1097 O ASN A 80 4.833 8.815 -0.027 1.00 0.00 O ATOM 1098 CB ASN A 80 5.860 8.687 2.672 1.00 0.00 C ATOM 1099 CG ASN A 80 6.640 7.904 3.730 1.00 0.00 C ATOM 1100 OD1 ASN A 80 7.527 7.121 3.432 1.00 0.00 O ATOM 1101 ND2 ASN A 80 6.262 8.157 4.979 1.00 0.00 N ATOM 0 H ASN A 80 6.141 10.963 1.253 1.00 0.00 H new ATOM 0 HA ASN A 80 7.689 8.459 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.514 9.631 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.973 8.125 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.722 7.684 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.512 8.824 5.160 1.00 0.00 H new ATOM 1107 N VAL A 81 6.660 7.583 -0.536 1.00 0.00 N ATOM 1108 CA VAL A 81 6.075 7.007 -1.734 1.00 0.00 C ATOM 1109 C VAL A 81 6.139 5.481 -1.646 1.00 0.00 C ATOM 1110 O VAL A 81 7.221 4.897 -1.706 1.00 0.00 O ATOM 1111 CB VAL A 81 6.773 7.564 -2.977 1.00 0.00 C ATOM 1112 CG1 VAL A 81 8.293 7.453 -2.848 1.00 0.00 C ATOM 1113 CG2 VAL A 81 6.278 6.863 -4.245 1.00 0.00 C ATOM 0 H VAL A 81 7.611 7.274 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 81 5.024 7.284 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 81 6.520 8.621 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.765 7.856 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.626 8.018 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.573 6.406 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.790 7.278 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.487 5.796 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.204 7.016 -4.350 1.00 0.00 H new ATOM 1123 N LEU A 82 4.968 4.878 -1.505 1.00 0.00 N ATOM 1124 CA LEU A 82 4.878 3.431 -1.407 1.00 0.00 C ATOM 1125 C LEU A 82 3.919 2.910 -2.479 1.00 0.00 C ATOM 1126 O LEU A 82 2.745 3.276 -2.496 1.00 0.00 O ATOM 1127 CB LEU A 82 4.497 3.013 0.015 1.00 0.00 C ATOM 1128 CG LEU A 82 5.273 3.692 1.144 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.779 3.471 0.985 1.00 0.00 C ATOM 1130 CD2 LEU A 82 4.919 5.177 1.238 1.00 0.00 C ATOM 0 H LEU A 82 4.073 5.365 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 82 5.849 2.975 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.435 3.213 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.633 1.935 0.104 1.00 0.00 H new ATOM 0 HG LEU A 82 4.977 3.231 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.307 3.964 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.994 2.403 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.110 3.888 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.485 5.635 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.167 5.670 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.852 5.285 1.434 1.00 0.00 H new ATOM 1141 N LEU A 83 4.454 2.066 -3.347 1.00 0.00 N ATOM 1142 CA LEU A 83 3.660 1.491 -4.421 1.00 0.00 C ATOM 1143 C LEU A 83 3.560 -0.022 -4.220 1.00 0.00 C ATOM 1144 O LEU A 83 4.553 -0.736 -4.345 1.00 0.00 O ATOM 1145 CB LEU A 83 4.228 1.895 -5.783 1.00 0.00 C ATOM 1146 CG LEU A 83 3.534 1.290 -7.005 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.193 1.975 -7.270 1.00 0.00 C ATOM 1148 CD2 LEU A 83 4.451 1.328 -8.230 1.00 0.00 C ATOM 0 H LEU A 83 5.429 1.765 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 83 2.644 1.884 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.184 2.981 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.281 1.616 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 83 3.322 0.242 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.721 1.526 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.544 1.851 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.357 3.037 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.934 0.892 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.716 2.361 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.357 0.758 -8.024 1.00 0.00 H new ATOM 1159 N LYS A 84 2.350 -0.468 -3.913 1.00 0.00 N ATOM 1160 CA LYS A 84 2.107 -1.883 -3.695 1.00 0.00 C ATOM 1161 C LYS A 84 0.989 -2.354 -4.628 1.00 0.00 C ATOM 1162 O LYS A 84 -0.132 -1.849 -4.564 1.00 0.00 O ATOM 1163 CB LYS A 84 1.829 -2.157 -2.215 1.00 0.00 C ATOM 1164 CG LYS A 84 2.693 -3.310 -1.700 1.00 0.00 C ATOM 1165 CD LYS A 84 2.204 -3.793 -0.333 1.00 0.00 C ATOM 1166 CE LYS A 84 1.307 -5.025 -0.476 1.00 0.00 C ATOM 1167 NZ LYS A 84 -0.110 -4.664 -0.241 1.00 0.00 N ATOM 0 H LYS A 84 1.528 0.127 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 84 2.995 -2.465 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.029 -1.259 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.775 -2.398 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.667 -4.135 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.731 -2.986 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.059 -4.032 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.654 -2.994 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.420 -5.451 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.616 -5.792 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.718 -5.208 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.365 -4.882 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.243 -3.647 -0.416 1.00 0.00 H new ATOM 1176 N ASN A 85 1.332 -3.315 -5.473 1.00 0.00 N ATOM 1177 CA ASN A 85 0.371 -3.858 -6.417 1.00 0.00 C ATOM 1178 C ASN A 85 0.109 -5.328 -6.081 1.00 0.00 C ATOM 1179 O ASN A 85 1.028 -6.145 -6.095 1.00 0.00 O ATOM 1180 CB ASN A 85 0.906 -3.789 -7.849 1.00 0.00 C ATOM 1181 CG ASN A 85 2.096 -4.733 -8.036 1.00 0.00 C ATOM 1182 OD1 ASN A 85 3.247 -4.252 -7.575 1.00 0.00 O flip ATOM 1183 ND2 ASN A 85 1.976 -5.826 -8.565 1.00 0.00 N flip ATOM 0 H ASN A 85 2.262 -3.731 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.543 -3.269 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.114 -4.053 -8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.208 -2.767 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.062 -6.134 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.790 -6.431 -8.675 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.150 -5.619 -5.788 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.546 -6.976 -5.450 1.00 0.00 C ATOM 1191 C GLY A 86 -2.498 -7.548 -6.501 1.00 0.00 C ATOM 1192 O GLY A 86 -3.580 -7.006 -6.725 1.00 0.00 O ATOM 0 H GLY A 86 -1.909 -4.938 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.661 -7.608 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.030 -6.985 -4.473 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.064 -8.636 -7.119 1.00 0.00 N ATOM 1197 CA GLU A 87 -2.866 -9.287 -8.141 1.00 0.00 C ATOM 1198 C GLU A 87 -3.142 -10.742 -7.753 1.00 0.00 C ATOM 1199 O GLU A 87 -2.213 -11.529 -7.581 1.00 0.00 O ATOM 1200 CB GLU A 87 -2.183 -9.205 -9.508 1.00 0.00 C ATOM 1201 CG GLU A 87 -2.010 -7.751 -9.948 1.00 0.00 C ATOM 1202 CD GLU A 87 -0.697 -7.561 -10.710 1.00 0.00 C ATOM 1203 OE1 GLU A 87 0.134 -6.729 -10.316 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -0.554 -8.315 -11.747 1.00 0.00 O ATOM 0 H GLU A 87 -1.167 -9.084 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.819 -8.764 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.209 -9.693 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.775 -9.744 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.847 -7.457 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.025 -7.099 -9.075 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.423 -11.053 -7.625 1.00 0.00 N ATOM 1211 CA ASP A 88 -4.834 -12.398 -7.260 1.00 0.00 C ATOM 1212 C ASP A 88 -5.716 -12.976 -8.369 1.00 0.00 C ATOM 1213 O ASP A 88 -6.800 -12.462 -8.637 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.646 -12.394 -5.964 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.581 -13.690 -5.155 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -4.930 -13.755 -4.102 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.245 -14.678 -5.654 1.00 0.00 O ATOM 0 H ASP A 88 -5.191 -10.397 -7.768 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.935 -12.998 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.296 -11.574 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.688 -12.187 -6.207 1.00 0.00 H new ATOM 1222 N ARG A 89 -5.217 -14.038 -8.984 1.00 0.00 N ATOM 1223 CA ARG A 89 -5.947 -14.692 -10.058 1.00 0.00 C ATOM 1224 C ARG A 89 -5.895 -16.211 -9.885 1.00 0.00 C ATOM 1225 O ARG A 89 -4.871 -16.761 -9.482 1.00 0.00 O ATOM 1226 CB ARG A 89 -5.365 -14.321 -11.424 1.00 0.00 C ATOM 1227 CG ARG A 89 -5.308 -12.803 -11.602 1.00 0.00 C ATOM 1228 CD ARG A 89 -6.182 -12.356 -12.775 1.00 0.00 C ATOM 1229 NE ARG A 89 -7.612 -12.525 -12.434 1.00 0.00 N ATOM 1230 CZ ARG A 89 -8.259 -11.797 -11.500 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -7.606 -10.841 -10.803 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -9.538 -12.031 -11.277 1.00 0.00 N ATOM 0 H ARG A 89 -4.317 -14.462 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.982 -14.352 -10.012 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.364 -14.740 -11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.974 -14.761 -12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.642 -12.313 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.277 -12.492 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.978 -11.312 -13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.940 -12.940 -13.663 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.142 -13.237 -12.937 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.617 -10.666 -10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.102 -10.295 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.024 -12.754 -11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.041 -11.489 -10.574 1.00 0.00 H new ATOM 1242 N LEU A 90 -7.015 -16.849 -10.198 1.00 0.00 N ATOM 1243 CA LEU A 90 -7.112 -18.294 -10.083 1.00 0.00 C ATOM 1244 C LEU A 90 -7.959 -18.837 -11.234 1.00 0.00 C ATOM 1245 O LEU A 90 -8.733 -18.099 -11.843 1.00 0.00 O ATOM 1246 CB LEU A 90 -7.632 -18.687 -8.698 1.00 0.00 C ATOM 1247 CG LEU A 90 -6.631 -18.563 -7.546 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -7.330 -18.122 -6.258 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -5.848 -19.864 -7.357 1.00 0.00 C ATOM 0 H LEU A 90 -7.863 -16.390 -10.531 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.126 -18.750 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.499 -18.068 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.980 -19.719 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.909 -17.788 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.597 -18.042 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.804 -17.153 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.087 -18.857 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.144 -19.749 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.540 -20.676 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.301 -20.096 -8.271 1.00 0.00 H new ATOM 1260 N ARG A 91 -7.783 -20.123 -11.499 1.00 0.00 N ATOM 1261 CA ARG A 91 -8.522 -20.774 -12.568 1.00 0.00 C ATOM 1262 C ARG A 91 -10.016 -20.468 -12.444 1.00 0.00 C ATOM 1263 O ARG A 91 -10.746 -20.510 -13.433 1.00 0.00 O ATOM 1264 CB ARG A 91 -8.315 -22.290 -12.537 1.00 0.00 C ATOM 1265 CG ARG A 91 -7.518 -22.760 -13.755 1.00 0.00 C ATOM 1266 CD ARG A 91 -6.505 -23.838 -13.365 1.00 0.00 C ATOM 1267 NE ARG A 91 -6.445 -24.880 -14.415 1.00 0.00 N ATOM 1268 CZ ARG A 91 -7.319 -25.904 -14.514 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -8.328 -26.035 -13.627 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -7.171 -26.778 -15.493 1.00 0.00 N ATOM 0 H ARG A 91 -7.140 -20.732 -10.993 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.146 -20.386 -13.515 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.790 -22.570 -11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.282 -22.792 -12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.199 -23.152 -14.510 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.999 -21.913 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.520 -23.391 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.787 -24.286 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.697 -24.820 -15.106 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.435 -25.357 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.983 -26.812 -13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.406 -26.673 -16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.822 -27.558 -15.583 1.00 0.00 H new ATOM 1280 N PHE A 92 -10.426 -20.167 -11.220 1.00 0.00 N ATOM 1281 CA PHE A 92 -11.820 -19.854 -10.954 1.00 0.00 C ATOM 1282 C PHE A 92 -12.226 -18.544 -11.631 1.00 0.00 C ATOM 1283 O PHE A 92 -13.388 -18.361 -11.992 1.00 0.00 O ATOM 1284 CB PHE A 92 -11.962 -19.697 -9.439 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.203 -20.374 -8.856 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -14.390 -19.712 -8.832 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.119 -21.639 -8.362 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.542 -20.341 -8.291 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -14.271 -22.268 -7.821 1.00 0.00 C ATOM 1290 CZ PHE A 92 -15.459 -21.606 -7.797 1.00 0.00 C ATOM 0 H PHE A 92 -9.817 -20.133 -10.402 1.00 0.00 H new ATOM 0 HA PHE A 92 -12.460 -20.646 -11.342 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.076 -20.109 -8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.992 -18.635 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.457 -18.708 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.176 -22.165 -8.381 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.485 -19.815 -8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.204 -23.272 -7.429 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.336 -22.084 -7.386 1.00 0.00 H new ATOM 1299 N TYR A 93 -11.246 -17.665 -11.783 1.00 0.00 N ATOM 1300 CA TYR A 93 -11.487 -16.376 -12.410 1.00 0.00 C ATOM 1301 C TYR A 93 -11.396 -16.483 -13.934 1.00 0.00 C ATOM 1302 O TYR A 93 -10.402 -16.973 -14.466 1.00 0.00 O ATOM 1303 CB TYR A 93 -10.379 -15.448 -11.908 1.00 0.00 C ATOM 1304 CG TYR A 93 -10.807 -14.535 -10.758 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -11.789 -13.586 -10.959 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -10.210 -14.658 -9.520 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -12.190 -12.725 -9.877 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -10.612 -13.798 -8.437 1.00 0.00 C ATOM 1309 CZ TYR A 93 -11.582 -12.874 -8.669 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.962 -12.061 -7.646 1.00 0.00 O ATOM 0 H TYR A 93 -10.284 -17.820 -11.483 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.483 -16.009 -12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -9.532 -16.052 -11.583 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.031 -14.832 -12.737 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.256 -13.489 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.441 -15.400 -9.363 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.956 -11.978 -10.021 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.154 -13.885 -7.463 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.444 -12.281 -6.844 1.00 0.00 H new ATOM 1319 N VAL A 94 -12.447 -16.015 -14.592 1.00 0.00 N ATOM 1320 CA VAL A 94 -12.497 -16.051 -16.044 1.00 0.00 C ATOM 1321 C VAL A 94 -12.231 -14.649 -16.594 1.00 0.00 C ATOM 1322 O VAL A 94 -12.203 -14.449 -17.807 1.00 0.00 O ATOM 1323 CB VAL A 94 -13.836 -16.631 -16.506 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -13.971 -18.097 -16.091 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -15.006 -15.801 -15.975 1.00 0.00 C ATOM 0 H VAL A 94 -13.270 -15.609 -14.147 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.720 -16.707 -16.437 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.862 -16.587 -17.595 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.931 -18.485 -16.432 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.165 -18.678 -16.540 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.913 -18.175 -15.005 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.945 -16.235 -16.318 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.985 -15.797 -14.885 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -14.923 -14.778 -16.343 1.00 0.00 H new ATOM 1335 N LYS A 95 -12.042 -13.713 -15.675 1.00 0.00 N ATOM 1336 CA LYS A 95 -11.778 -12.335 -16.053 1.00 0.00 C ATOM 1337 C LYS A 95 -10.286 -12.166 -16.343 1.00 0.00 C ATOM 1338 O LYS A 95 -9.893 -11.279 -17.099 1.00 0.00 O ATOM 1339 CB LYS A 95 -12.310 -11.376 -14.987 1.00 0.00 C ATOM 1340 CG LYS A 95 -12.070 -9.920 -15.390 1.00 0.00 C ATOM 1341 CD LYS A 95 -13.395 -9.186 -15.610 1.00 0.00 C ATOM 1342 CE LYS A 95 -14.070 -9.649 -16.903 1.00 0.00 C ATOM 1343 NZ LYS A 95 -13.658 -8.793 -18.037 1.00 0.00 N ATOM 0 H LYS A 95 -12.066 -13.882 -14.669 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.311 -12.083 -16.970 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.377 -11.545 -14.840 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -11.821 -11.579 -14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.495 -9.414 -14.614 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.475 -9.885 -16.303 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.059 -9.365 -14.764 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.217 -8.112 -15.653 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.805 -10.686 -17.107 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.153 -9.614 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.125 -9.121 -18.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.933 -7.808 -17.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.626 -8.848 -18.156 1.00 0.00 H new ATOM 1352 N PHE A 96 -9.494 -13.032 -15.726 1.00 0.00 N ATOM 1353 CA PHE A 96 -8.053 -12.989 -15.908 1.00 0.00 C ATOM 1354 C PHE A 96 -7.546 -11.547 -15.933 1.00 0.00 C ATOM 1355 O PHE A 96 -6.749 -11.180 -16.795 1.00 0.00 O ATOM 1356 CB PHE A 96 -7.754 -13.647 -17.257 1.00 0.00 C ATOM 1357 CG PHE A 96 -8.695 -13.213 -18.383 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -8.410 -12.105 -19.118 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -9.816 -13.937 -18.649 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -9.283 -11.703 -20.163 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -10.689 -13.534 -19.693 1.00 0.00 C ATOM 1362 CZ PHE A 96 -10.404 -12.426 -20.429 1.00 0.00 C ATOM 0 H PHE A 96 -9.823 -13.767 -15.100 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.558 -13.504 -15.085 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.729 -13.414 -17.544 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.815 -14.729 -17.143 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -7.520 -11.531 -18.907 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.041 -14.818 -18.066 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -9.057 -10.823 -20.747 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -11.580 -14.107 -19.903 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.068 -12.120 -21.224 1.00 0.00 H new ATOM 1371 N GLY A 97 -8.027 -10.767 -14.976 1.00 0.00 N ATOM 1372 CA GLY A 97 -7.633 -9.373 -14.877 1.00 0.00 C ATOM 1373 C GLY A 97 -6.714 -9.146 -13.675 1.00 0.00 C ATOM 1374 O GLY A 97 -7.178 -9.091 -12.537 1.00 0.00 O ATOM 0 H GLY A 97 -8.687 -11.075 -14.262 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.123 -9.070 -15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.520 -8.747 -14.784 1.00 0.00 H new ATOM 1378 N PRO A 98 -5.395 -9.019 -13.976 1.00 0.00 N ATOM 1379 CA PRO A 98 -4.407 -8.800 -12.933 1.00 0.00 C ATOM 1380 C PRO A 98 -4.464 -7.361 -12.417 1.00 0.00 C ATOM 1381 O PRO A 98 -3.991 -6.440 -13.082 1.00 0.00 O ATOM 1382 CB PRO A 98 -3.074 -9.149 -13.574 1.00 0.00 C ATOM 1383 CG PRO A 98 -3.308 -9.102 -15.074 1.00 0.00 C ATOM 1384 CD PRO A 98 -4.810 -9.079 -15.312 1.00 0.00 C ATOM 0 HA PRO A 98 -4.583 -9.416 -12.051 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.301 -8.441 -13.277 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.738 -10.138 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.840 -8.217 -15.506 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.858 -9.969 -15.558 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.103 -8.217 -15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -5.140 -9.968 -15.849 1.00 0.00 H new ATOM 1389 N GLY A 99 -5.047 -7.211 -11.236 1.00 0.00 N ATOM 1390 CA GLY A 99 -5.172 -5.900 -10.623 1.00 0.00 C ATOM 1391 C GLY A 99 -3.870 -5.108 -10.754 1.00 0.00 C ATOM 1392 O GLY A 99 -2.929 -5.320 -9.989 1.00 0.00 O ATOM 0 H GLY A 99 -5.438 -7.977 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.986 -5.350 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.431 -6.010 -9.570 1.00 0.00 H new ATOM 1396 N ALA A 100 -3.856 -4.210 -11.730 1.00 0.00 N ATOM 1397 CA ALA A 100 -2.684 -3.385 -11.971 1.00 0.00 C ATOM 1398 C ALA A 100 -2.868 -2.032 -11.280 1.00 0.00 C ATOM 1399 O ALA A 100 -3.968 -1.700 -10.841 1.00 0.00 O ATOM 1400 CB ALA A 100 -2.459 -3.245 -13.477 1.00 0.00 C ATOM 0 H ALA A 100 -4.637 -4.036 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.793 -3.851 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.580 -2.626 -13.658 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.305 -4.231 -13.915 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.332 -2.778 -13.933 1.00 0.00 H new ATOM 1406 N VAL A 101 -1.775 -1.288 -11.205 1.00 0.00 N ATOM 1407 CA VAL A 101 -1.802 0.021 -10.577 1.00 0.00 C ATOM 1408 C VAL A 101 -3.031 0.791 -11.064 1.00 0.00 C ATOM 1409 O VAL A 101 -3.650 1.528 -10.297 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.489 0.759 -10.847 1.00 0.00 C ATOM 1411 CG1 VAL A 101 0.672 0.107 -10.092 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.198 0.828 -12.348 1.00 0.00 C ATOM 0 H VAL A 101 -0.864 -1.567 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.888 -0.077 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.596 1.779 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.593 0.651 -10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.470 0.134 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.780 -0.928 -10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.740 1.357 -12.513 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.120 -0.182 -12.750 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.007 1.358 -12.851 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.347 0.594 -12.336 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.491 1.261 -12.933 1.00 0.00 C ATOM 1424 C ILE A 102 -5.700 1.121 -12.005 1.00 0.00 C ATOM 1425 O ILE A 102 -6.478 2.061 -11.848 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.738 0.735 -14.348 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -3.965 1.557 -15.382 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.235 0.684 -14.661 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.552 2.963 -15.515 1.00 0.00 C ATOM 0 H ILE A 102 -2.831 -0.017 -12.969 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.296 2.328 -13.043 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.362 -0.287 -14.402 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.917 1.623 -15.090 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.995 1.054 -16.348 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.382 0.307 -15.673 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.733 0.023 -13.951 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.658 1.686 -14.582 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.984 3.526 -16.256 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.593 2.894 -15.831 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.498 3.472 -14.553 1.00 0.00 H new ATOM 1440 N LYS A 103 -5.820 -0.059 -11.417 1.00 0.00 N ATOM 1441 CA LYS A 103 -6.921 -0.334 -10.509 1.00 0.00 C ATOM 1442 C LYS A 103 -6.956 0.737 -9.417 1.00 0.00 C ATOM 1443 O LYS A 103 -8.029 1.168 -8.999 1.00 0.00 O ATOM 1444 CB LYS A 103 -6.825 -1.762 -9.967 1.00 0.00 C ATOM 1445 CG LYS A 103 -6.959 -2.787 -11.095 1.00 0.00 C ATOM 1446 CD LYS A 103 -8.153 -3.712 -10.854 1.00 0.00 C ATOM 1447 CE LYS A 103 -9.367 -3.265 -11.673 1.00 0.00 C ATOM 1448 NZ LYS A 103 -9.624 -4.214 -12.779 1.00 0.00 N ATOM 0 H LYS A 103 -5.173 -0.836 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.873 -0.282 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.871 -1.898 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.607 -1.927 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.080 -2.271 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.045 -3.377 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.886 -4.734 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.406 -3.716 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.244 -3.202 -11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.194 -2.267 -12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.450 -3.896 -13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.792 -4.254 -13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.810 -5.160 -12.389 1.00 0.00 H new ATOM 1457 N GLU A 104 -5.769 1.137 -8.988 1.00 0.00 N ATOM 1458 CA GLU A 104 -5.650 2.151 -7.953 1.00 0.00 C ATOM 1459 C GLU A 104 -6.235 3.478 -8.440 1.00 0.00 C ATOM 1460 O GLU A 104 -7.041 4.096 -7.747 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.194 2.321 -7.516 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.019 3.582 -6.670 1.00 0.00 C ATOM 1463 CD GLU A 104 -3.137 4.607 -7.387 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -2.513 5.455 -6.732 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.112 4.500 -8.671 1.00 0.00 O ATOM 0 H GLU A 104 -4.881 0.778 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.219 1.823 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.878 1.449 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.551 2.376 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.994 4.021 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.573 3.321 -5.710 1.00 0.00 H new ATOM 1471 N PHE A 105 -5.806 3.876 -9.628 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.277 5.119 -10.215 1.00 0.00 C ATOM 1473 C PHE A 105 -7.795 5.251 -10.075 1.00 0.00 C ATOM 1474 O PHE A 105 -8.312 6.351 -9.891 1.00 0.00 O ATOM 1475 CB PHE A 105 -5.915 5.077 -11.701 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.120 5.187 -12.638 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.921 6.285 -12.590 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -7.390 4.187 -13.519 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -9.038 6.388 -13.461 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -8.508 4.289 -14.389 1.00 0.00 C ATOM 1481 CZ PHE A 105 -9.309 5.388 -14.341 1.00 0.00 C ATOM 0 H PHE A 105 -5.138 3.360 -10.200 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.818 5.968 -9.708 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.223 5.890 -11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.389 4.146 -11.910 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.708 7.079 -11.889 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.754 3.315 -13.557 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -9.672 7.261 -13.424 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -8.722 3.495 -15.088 1.00 0.00 H new ATOM 0 HZ PHE A 105 -10.160 5.466 -15.002 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.467 4.113 -10.169 1.00 0.00 N ATOM 1491 CA LYS A 106 -9.915 4.086 -10.056 1.00 0.00 C ATOM 1492 C LYS A 106 -10.328 4.693 -8.713 1.00 0.00 C ATOM 1493 O LYS A 106 -11.494 5.027 -8.512 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.445 2.669 -10.278 1.00 0.00 C ATOM 1495 CG LYS A 106 -9.798 2.028 -11.509 1.00 0.00 C ATOM 1496 CD LYS A 106 -10.859 1.594 -12.522 1.00 0.00 C ATOM 1497 CE LYS A 106 -10.560 0.195 -13.063 1.00 0.00 C ATOM 1498 NZ LYS A 106 -11.666 -0.273 -13.929 1.00 0.00 N ATOM 0 H LYS A 106 -8.035 3.202 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.369 4.696 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.243 2.059 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.527 2.697 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.113 2.737 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.205 1.165 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.842 1.603 -12.051 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.893 2.307 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.628 0.209 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.420 -0.499 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.447 -1.224 -14.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.548 -0.305 -13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.781 0.381 -14.729 1.00 0.00 H new ATOM 1507 N ILE A 107 -9.349 4.818 -7.830 1.00 0.00 N ATOM 1508 CA ILE A 107 -9.595 5.379 -6.513 1.00 0.00 C ATOM 1509 C ILE A 107 -10.741 6.390 -6.600 1.00 0.00 C ATOM 1510 O ILE A 107 -11.588 6.452 -5.710 1.00 0.00 O ATOM 1511 CB ILE A 107 -8.306 5.959 -5.928 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -8.587 6.719 -4.629 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -7.581 6.830 -6.955 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -8.877 8.195 -4.909 1.00 0.00 C ATOM 0 H ILE A 107 -8.383 4.540 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 107 -9.909 4.599 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.641 5.132 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.437 6.269 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.730 6.633 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.668 7.230 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.328 6.229 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.229 7.653 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.073 8.712 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.016 8.648 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.749 8.278 -5.558 1.00 0.00 H new ATOM 1525 N THR A 108 -10.730 7.155 -7.682 1.00 0.00 N ATOM 1526 CA THR A 108 -11.758 8.160 -7.897 1.00 0.00 C ATOM 1527 C THR A 108 -11.573 8.829 -9.261 1.00 0.00 C ATOM 1528 O THR A 108 -12.550 9.170 -9.926 1.00 0.00 O ATOM 1529 CB THR A 108 -11.710 9.144 -6.726 1.00 0.00 C ATOM 1530 OG1 THR A 108 -12.887 9.931 -6.885 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.568 10.154 -6.857 1.00 0.00 C ATOM 0 H THR A 108 -10.026 7.099 -8.418 1.00 0.00 H new ATOM 0 HA THR A 108 -12.751 7.711 -7.922 1.00 0.00 H new ATOM 0 HB THR A 108 -11.602 8.592 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.936 10.595 -6.166 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.579 10.829 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.616 9.624 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.695 10.730 -7.774 1.00 0.00 H new ATOM 1539 N ASP A 109 -10.314 8.995 -9.636 1.00 0.00 N ATOM 1540 CA ASP A 109 -9.988 9.616 -10.909 1.00 0.00 C ATOM 1541 C ASP A 109 -10.731 8.889 -12.031 1.00 0.00 C ATOM 1542 O ASP A 109 -11.449 9.513 -12.812 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.489 9.526 -11.199 1.00 0.00 C ATOM 1544 CG ASP A 109 -7.667 10.732 -10.740 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -7.084 10.729 -9.646 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -7.639 11.719 -11.570 1.00 0.00 O ATOM 0 H ASP A 109 -9.507 8.710 -9.081 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.282 10.664 -10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.094 8.632 -10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.349 9.398 -12.272 1.00 0.00 H new TER 1551 ASP A 109