USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 739 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 35 SER OG : rot 106:sc= -0.425 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.502 K(o=-0.93,f=-4.1!) USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN : amide:sc= -2.38 K(o=-2.4,f=-3.5!) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 24 MET CE :methyl -103:sc= -0.015 (180deg=0) USER MOD Set 4.2: A 65 ASN :FLIP amide:sc= -3.3! F(o=-4,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0837 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -109:sc=-0.00535 (180deg=-0.565) USER MOD Single : A 18 ASN :FLIP amide:sc= 0.192 F(o=-1.4,f=0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0068 (180deg=-0.119) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 140:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -1.99 X(o=-2,f=-2.4) USER MOD Single : A 51 SER OG : rot 70:sc= -5.51! USER MOD Single : A 53 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-5.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -6.93! C(o=-6.9!,f=-6.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 77 TYR OH : rot -34:sc= 0.762 USER MOD Single : A 79 CYS SG : rot 140:sc= -3.48 USER MOD Single : A 80 MET CE :methyl -116:sc= -4.61! (180deg=-7.29!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.874 F(o=-2.3,f=-0.87) USER MOD Single : A 88 SER OG : rot 90:sc= -0.81 USER MOD Single : A 89 ASN : amide:sc= -4.84! C(o=-4.8!,f=-7.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.45 K(o=-0.45,f=-4.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.116 14.932 -2.032 1.00 0.00 N ATOM 2 CA GLY A 1 23.736 13.671 -1.422 1.00 0.00 C ATOM 3 C GLY A 1 24.602 13.319 -0.229 1.00 0.00 C ATOM 4 O GLY A 1 25.402 14.136 0.228 1.00 0.00 O ATOM 0 H1 GLY A 1 23.293 15.567 -2.059 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.875 15.373 -1.474 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.454 14.761 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.694 13.723 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.806 12.876 -2.165 1.00 0.00 H new ATOM 8 N SER A 2 24.442 12.101 0.277 1.00 0.00 N ATOM 9 CA SER A 2 25.213 11.644 1.428 1.00 0.00 C ATOM 10 C SER A 2 25.819 10.269 1.165 1.00 0.00 C ATOM 11 O SER A 2 26.991 10.030 1.455 1.00 0.00 O ATOM 12 CB SER A 2 24.326 11.593 2.674 1.00 0.00 C ATOM 13 OG SER A 2 24.139 12.887 3.220 1.00 0.00 O ATOM 0 H SER A 2 23.786 11.413 -0.091 1.00 0.00 H new ATOM 0 HA SER A 2 26.024 12.353 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.359 11.159 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.780 10.942 3.421 1.00 0.00 H new ATOM 0 HG SER A 2 23.568 12.828 4.014 1.00 0.00 H new ATOM 19 N SER A 3 25.012 9.369 0.613 1.00 0.00 N ATOM 20 CA SER A 3 25.467 8.016 0.314 1.00 0.00 C ATOM 21 C SER A 3 24.487 7.307 -0.615 1.00 0.00 C ATOM 22 O SER A 3 23.283 7.280 -0.363 1.00 0.00 O ATOM 23 CB SER A 3 25.634 7.214 1.606 1.00 0.00 C ATOM 24 OG SER A 3 26.568 6.162 1.436 1.00 0.00 O ATOM 0 H SER A 3 24.040 9.552 0.364 1.00 0.00 H new ATOM 0 HA SER A 3 26.432 8.086 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.967 7.874 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.671 6.804 1.910 1.00 0.00 H new ATOM 0 HG SER A 3 26.658 5.666 2.276 1.00 0.00 H new ATOM 30 N GLY A 4 25.013 6.732 -1.693 1.00 0.00 N ATOM 31 CA GLY A 4 24.171 6.030 -2.644 1.00 0.00 C ATOM 32 C GLY A 4 23.636 6.943 -3.729 1.00 0.00 C ATOM 33 O GLY A 4 24.003 8.116 -3.800 1.00 0.00 O ATOM 0 H GLY A 4 26.006 6.740 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.741 5.222 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.336 5.571 -2.115 1.00 0.00 H new ATOM 37 N SER A 5 22.767 6.405 -4.578 1.00 0.00 N ATOM 38 CA SER A 5 22.184 7.178 -5.669 1.00 0.00 C ATOM 39 C SER A 5 20.667 7.258 -5.528 1.00 0.00 C ATOM 40 O SER A 5 20.042 6.389 -4.920 1.00 0.00 O ATOM 41 CB SER A 5 22.551 6.555 -7.017 1.00 0.00 C ATOM 42 OG SER A 5 23.857 6.932 -7.415 1.00 0.00 O ATOM 0 H SER A 5 22.451 5.436 -4.532 1.00 0.00 H new ATOM 0 HA SER A 5 22.589 8.189 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.488 5.469 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.832 6.869 -7.774 1.00 0.00 H new ATOM 0 HG SER A 5 24.068 6.519 -8.279 1.00 0.00 H new ATOM 48 N SER A 6 20.081 8.308 -6.095 1.00 0.00 N ATOM 49 CA SER A 6 18.638 8.505 -6.030 1.00 0.00 C ATOM 50 C SER A 6 17.910 7.481 -6.896 1.00 0.00 C ATOM 51 O SER A 6 18.269 7.262 -8.052 1.00 0.00 O ATOM 52 CB SER A 6 18.274 9.921 -6.481 1.00 0.00 C ATOM 53 OG SER A 6 16.884 10.160 -6.342 1.00 0.00 O ATOM 0 H SER A 6 20.583 9.035 -6.604 1.00 0.00 H new ATOM 0 HA SER A 6 18.324 8.369 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.832 10.648 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.568 10.061 -7.521 1.00 0.00 H new ATOM 0 HG SER A 6 16.678 11.072 -6.635 1.00 0.00 H new ATOM 59 N GLY A 7 16.884 6.856 -6.327 1.00 0.00 N ATOM 60 CA GLY A 7 16.122 5.862 -7.060 1.00 0.00 C ATOM 61 C GLY A 7 16.397 4.451 -6.581 1.00 0.00 C ATOM 62 O GLY A 7 17.268 3.754 -7.103 1.00 0.00 O ATOM 0 H GLY A 7 16.567 7.020 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.058 6.076 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.361 5.935 -8.121 1.00 0.00 H new ATOM 66 N PRO A 8 15.644 4.010 -5.563 1.00 0.00 N ATOM 67 CA PRO A 8 15.793 2.669 -4.990 1.00 0.00 C ATOM 68 C PRO A 8 15.320 1.576 -5.942 1.00 0.00 C ATOM 69 O PRO A 8 14.971 1.848 -7.091 1.00 0.00 O ATOM 70 CB PRO A 8 14.906 2.714 -3.744 1.00 0.00 C ATOM 71 CG PRO A 8 13.889 3.762 -4.041 1.00 0.00 C ATOM 72 CD PRO A 8 14.587 4.786 -4.892 1.00 0.00 C ATOM 0 HA PRO A 8 16.835 2.430 -4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.436 1.748 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.485 2.964 -2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.033 3.337 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.511 4.210 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.906 5.243 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.003 5.593 -4.289 1.00 0.00 H new ATOM 80 N PHE A 9 15.311 0.338 -5.457 1.00 0.00 N ATOM 81 CA PHE A 9 14.880 -0.796 -6.266 1.00 0.00 C ATOM 82 C PHE A 9 13.409 -0.665 -6.647 1.00 0.00 C ATOM 83 O PHE A 9 12.906 -1.411 -7.488 1.00 0.00 O ATOM 84 CB PHE A 9 15.107 -2.106 -5.507 1.00 0.00 C ATOM 85 CG PHE A 9 16.526 -2.596 -5.569 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.456 -2.184 -4.628 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.929 -3.468 -6.567 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.762 -2.633 -4.683 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.233 -3.921 -6.627 1.00 0.00 C ATOM 90 CZ PHE A 9 19.151 -3.503 -5.683 1.00 0.00 C ATOM 0 H PHE A 9 15.597 0.095 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 9 15.474 -0.805 -7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.825 -1.966 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.448 -2.872 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.157 -1.505 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 9 16.215 -3.798 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.478 -2.304 -3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.534 -4.601 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.171 -3.856 -5.727 1.00 0.00 H new ATOM 100 N ILE A 10 12.724 0.287 -6.023 1.00 0.00 N ATOM 101 CA ILE A 10 11.311 0.517 -6.297 1.00 0.00 C ATOM 102 C ILE A 10 11.126 1.397 -7.528 1.00 0.00 C ATOM 103 O ILE A 10 11.319 2.611 -7.471 1.00 0.00 O ATOM 104 CB ILE A 10 10.605 1.176 -5.097 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.579 0.219 -3.904 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.193 1.594 -5.479 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.135 0.873 -2.614 1.00 0.00 C ATOM 0 H ILE A 10 13.125 0.912 -5.324 1.00 0.00 H new ATOM 0 HA ILE A 10 10.862 -0.459 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 10 11.162 2.068 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.910 -0.612 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.575 -0.202 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.706 2.058 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.235 2.307 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.625 0.717 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.141 0.135 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.817 1.686 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.127 1.270 -2.735 1.00 0.00 H new ATOM 119 N MET A 11 10.749 0.776 -8.641 1.00 0.00 N ATOM 120 CA MET A 11 10.534 1.504 -9.886 1.00 0.00 C ATOM 121 C MET A 11 9.493 2.604 -9.701 1.00 0.00 C ATOM 122 O MET A 11 9.405 3.530 -10.507 1.00 0.00 O ATOM 123 CB MET A 11 10.088 0.545 -10.992 1.00 0.00 C ATOM 124 CG MET A 11 10.972 -0.684 -11.124 1.00 0.00 C ATOM 125 SD MET A 11 12.712 -0.268 -11.348 1.00 0.00 S ATOM 126 CE MET A 11 13.497 -1.768 -10.765 1.00 0.00 C ATOM 0 H MET A 11 10.586 -0.229 -8.706 1.00 0.00 H new ATOM 0 HA MET A 11 11.478 1.967 -10.174 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.064 0.227 -10.794 1.00 0.00 H new ATOM 0 HB3 MET A 11 10.078 1.079 -11.942 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.862 -1.303 -10.233 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.633 -1.281 -11.971 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.986 -1.575 -9.810 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.745 -2.546 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.239 -2.097 -11.492 1.00 0.00 H new ATOM 136 N ASP A 12 8.709 2.495 -8.635 1.00 0.00 N ATOM 137 CA ASP A 12 7.674 3.482 -8.343 1.00 0.00 C ATOM 138 C ASP A 12 7.180 3.342 -6.906 1.00 0.00 C ATOM 139 O ASP A 12 6.484 2.385 -6.569 1.00 0.00 O ATOM 140 CB ASP A 12 6.504 3.327 -9.315 1.00 0.00 C ATOM 141 CG ASP A 12 5.466 4.419 -9.149 1.00 0.00 C ATOM 142 OD1 ASP A 12 5.120 4.738 -7.992 1.00 0.00 O ATOM 143 OD2 ASP A 12 4.998 4.955 -10.176 1.00 0.00 O ATOM 0 H ASP A 12 8.769 1.734 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 12 8.108 4.475 -8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.881 3.340 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.034 2.356 -9.161 1.00 0.00 H new ATOM 148 N ALA A 13 7.547 4.303 -6.064 1.00 0.00 N ATOM 149 CA ALA A 13 7.140 4.288 -4.665 1.00 0.00 C ATOM 150 C ALA A 13 5.737 4.861 -4.494 1.00 0.00 C ATOM 151 O ALA A 13 5.316 5.762 -5.221 1.00 0.00 O ATOM 152 CB ALA A 13 8.136 5.066 -3.817 1.00 0.00 C ATOM 0 H ALA A 13 8.125 5.101 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 13 7.124 3.251 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.819 5.046 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.123 4.611 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.180 6.099 -4.163 1.00 0.00 H new ATOM 158 N PRO A 14 4.995 4.328 -3.513 1.00 0.00 N ATOM 159 CA PRO A 14 3.627 4.772 -3.225 1.00 0.00 C ATOM 160 C PRO A 14 3.587 6.174 -2.627 1.00 0.00 C ATOM 161 O PRO A 14 4.480 6.565 -1.876 1.00 0.00 O ATOM 162 CB PRO A 14 3.128 3.743 -2.208 1.00 0.00 C ATOM 163 CG PRO A 14 4.362 3.227 -1.552 1.00 0.00 C ATOM 164 CD PRO A 14 5.433 3.252 -2.608 1.00 0.00 C ATOM 0 HA PRO A 14 3.018 4.830 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.455 4.199 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.574 2.941 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.640 3.847 -0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.210 2.216 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.414 3.461 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.508 2.296 -3.127 1.00 0.00 H new ATOM 172 N ARG A 15 2.545 6.927 -2.966 1.00 0.00 N ATOM 173 CA ARG A 15 2.389 8.286 -2.463 1.00 0.00 C ATOM 174 C ARG A 15 1.049 8.452 -1.751 1.00 0.00 C ATOM 175 O ARG A 15 0.106 7.702 -2.000 1.00 0.00 O ATOM 176 CB ARG A 15 2.497 9.293 -3.610 1.00 0.00 C ATOM 177 CG ARG A 15 2.355 10.739 -3.167 1.00 0.00 C ATOM 178 CD ARG A 15 2.403 11.692 -4.351 1.00 0.00 C ATOM 179 NE ARG A 15 2.354 13.090 -3.931 1.00 0.00 N ATOM 180 CZ ARG A 15 2.584 14.112 -4.748 1.00 0.00 C ATOM 181 NH1 ARG A 15 2.877 13.892 -6.023 1.00 0.00 N ATOM 182 NH2 ARG A 15 2.521 15.356 -4.292 1.00 0.00 N ATOM 0 H ARG A 15 1.797 6.618 -3.587 1.00 0.00 H new ATOM 0 HA ARG A 15 3.188 8.475 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.460 9.166 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.728 9.072 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.413 10.866 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.153 10.986 -2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.316 11.517 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.566 11.484 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 15 2.131 13.293 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.926 12.937 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.053 14.678 -6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.296 15.529 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.698 16.139 -4.921 1.00 0.00 H new ATOM 196 N ASP A 16 0.975 9.439 -0.865 1.00 0.00 N ATOM 197 CA ASP A 16 -0.249 9.704 -0.117 1.00 0.00 C ATOM 198 C ASP A 16 -1.446 9.818 -1.056 1.00 0.00 C ATOM 199 O ASP A 16 -1.315 10.271 -2.194 1.00 0.00 O ATOM 200 CB ASP A 16 -0.104 10.988 0.701 1.00 0.00 C ATOM 201 CG ASP A 16 0.454 12.136 -0.117 1.00 0.00 C ATOM 202 OD1 ASP A 16 -0.144 12.466 -1.162 1.00 0.00 O ATOM 203 OD2 ASP A 16 1.489 12.706 0.289 1.00 0.00 O ATOM 0 H ASP A 16 1.747 10.069 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.419 8.867 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.077 11.271 1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.550 10.801 1.553 1.00 0.00 H new ATOM 208 N LEU A 17 -2.612 9.403 -0.573 1.00 0.00 N ATOM 209 CA LEU A 17 -3.833 9.457 -1.370 1.00 0.00 C ATOM 210 C LEU A 17 -5.016 9.915 -0.522 1.00 0.00 C ATOM 211 O LEU A 17 -5.247 9.397 0.569 1.00 0.00 O ATOM 212 CB LEU A 17 -4.128 8.086 -1.980 1.00 0.00 C ATOM 213 CG LEU A 17 -5.498 7.926 -2.640 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.539 8.663 -3.970 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.828 6.454 -2.835 1.00 0.00 C ATOM 0 H LEU A 17 -2.738 9.026 0.366 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.683 10.180 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.361 7.869 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.034 7.334 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.250 8.362 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.521 8.538 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.348 9.723 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.777 8.257 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.807 6.360 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.073 5.993 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.841 5.953 -1.867 1.00 0.00 H new ATOM 227 N ASN A 18 -5.763 10.887 -1.035 1.00 0.00 N ATOM 228 CA ASN A 18 -6.924 11.414 -0.326 1.00 0.00 C ATOM 229 C ASN A 18 -8.216 10.829 -0.888 1.00 0.00 C ATOM 230 O ASN A 18 -8.631 11.166 -1.997 1.00 0.00 O ATOM 231 CB ASN A 18 -6.957 12.940 -0.422 1.00 0.00 C ATOM 232 CG ASN A 18 -6.698 13.436 -1.832 1.00 0.00 C ATOM 233 OD1 ASN A 18 -5.558 14.088 -2.029 1.00 0.00 O flip ATOM 234 ND2 ASN A 18 -7.513 13.235 -2.733 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.586 11.326 -1.939 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.841 11.125 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.929 13.302 -0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.210 13.360 0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.376 12.729 -2.536 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.325 13.574 -3.676 1.00 0.00 H new ATOM 241 N ILE A 19 -8.847 9.951 -0.115 1.00 0.00 N ATOM 242 CA ILE A 19 -10.092 9.321 -0.535 1.00 0.00 C ATOM 243 C ILE A 19 -11.131 9.360 0.581 1.00 0.00 C ATOM 244 O ILE A 19 -10.803 9.608 1.741 1.00 0.00 O ATOM 245 CB ILE A 19 -9.867 7.858 -0.961 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.153 7.272 -1.548 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.393 7.029 0.223 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.944 5.958 -2.268 1.00 0.00 C ATOM 0 H ILE A 19 -8.516 9.660 0.805 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.460 9.887 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.094 7.833 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.876 7.126 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.587 7.992 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.238 5.998 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.456 7.437 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.145 7.058 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.897 5.601 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.245 6.102 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.538 5.223 -1.573 1.00 0.00 H new ATOM 260 N SER A 20 -12.387 9.112 0.221 1.00 0.00 N ATOM 261 CA SER A 20 -13.475 9.120 1.191 1.00 0.00 C ATOM 262 C SER A 20 -13.723 7.719 1.742 1.00 0.00 C ATOM 263 O SER A 20 -13.304 6.725 1.150 1.00 0.00 O ATOM 264 CB SER A 20 -14.754 9.661 0.550 1.00 0.00 C ATOM 265 OG SER A 20 -14.622 11.035 0.229 1.00 0.00 O ATOM 0 H SER A 20 -12.675 8.903 -0.735 1.00 0.00 H new ATOM 0 HA SER A 20 -13.187 9.771 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.980 9.094 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.593 9.523 1.232 1.00 0.00 H new ATOM 0 HG SER A 20 -15.452 11.356 -0.181 1.00 0.00 H new ATOM 271 N GLU A 21 -14.408 7.650 2.880 1.00 0.00 N ATOM 272 CA GLU A 21 -14.710 6.371 3.511 1.00 0.00 C ATOM 273 C GLU A 21 -15.742 5.593 2.699 1.00 0.00 C ATOM 274 O GLU A 21 -16.767 6.139 2.292 1.00 0.00 O ATOM 275 CB GLU A 21 -15.226 6.589 4.935 1.00 0.00 C ATOM 276 CG GLU A 21 -16.173 5.502 5.414 1.00 0.00 C ATOM 277 CD GLU A 21 -16.671 5.741 6.826 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.376 6.748 7.043 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.355 4.921 7.714 1.00 0.00 O ATOM 0 H GLU A 21 -14.763 8.463 3.382 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.789 5.789 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.376 6.644 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.736 7.551 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.026 5.444 4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.665 4.538 5.370 1.00 0.00 H new ATOM 286 N GLY A 22 -15.462 4.315 2.466 1.00 0.00 N ATOM 287 CA GLY A 22 -16.374 3.483 1.703 1.00 0.00 C ATOM 288 C GLY A 22 -16.088 3.523 0.215 1.00 0.00 C ATOM 289 O GLY A 22 -16.921 3.116 -0.595 1.00 0.00 O ATOM 0 H GLY A 22 -14.620 3.841 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.304 2.454 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.398 3.812 1.882 1.00 0.00 H new ATOM 293 N ARG A 23 -14.908 4.017 -0.146 1.00 0.00 N ATOM 294 CA ARG A 23 -14.516 4.112 -1.547 1.00 0.00 C ATOM 295 C ARG A 23 -13.353 3.173 -1.851 1.00 0.00 C ATOM 296 O ARG A 23 -12.740 2.614 -0.943 1.00 0.00 O ATOM 297 CB ARG A 23 -14.128 5.551 -1.894 1.00 0.00 C ATOM 298 CG ARG A 23 -15.298 6.520 -1.868 1.00 0.00 C ATOM 299 CD ARG A 23 -15.085 7.677 -2.832 1.00 0.00 C ATOM 300 NE ARG A 23 -16.347 8.279 -3.254 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.262 7.638 -3.973 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.055 6.384 -4.349 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.386 8.253 -4.319 1.00 0.00 N ATOM 0 H ARG A 23 -14.207 4.357 0.512 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.369 3.816 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.368 5.893 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.676 5.567 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.215 5.992 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.429 6.907 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.463 8.435 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.542 7.323 -3.708 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.536 9.244 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.192 5.909 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.759 5.894 -4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.548 9.219 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.088 7.760 -4.871 1.00 0.00 H new ATOM 317 N MET A 24 -13.055 3.004 -3.136 1.00 0.00 N ATOM 318 CA MET A 24 -11.965 2.133 -3.559 1.00 0.00 C ATOM 319 C MET A 24 -10.647 2.899 -3.615 1.00 0.00 C ATOM 320 O MET A 24 -10.547 3.933 -4.274 1.00 0.00 O ATOM 321 CB MET A 24 -12.273 1.524 -4.929 1.00 0.00 C ATOM 322 CG MET A 24 -11.616 0.172 -5.154 1.00 0.00 C ATOM 323 SD MET A 24 -11.996 -0.523 -6.774 1.00 0.00 S ATOM 324 CE MET A 24 -11.584 -2.245 -6.508 1.00 0.00 C ATOM 0 H MET A 24 -13.553 3.459 -3.901 1.00 0.00 H new ATOM 0 HA MET A 24 -11.868 1.332 -2.826 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.352 1.417 -5.035 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.943 2.213 -5.706 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.536 0.276 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.945 -0.521 -4.379 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.621 -2.464 -6.969 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.528 -2.445 -5.438 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.352 -2.876 -6.955 1.00 0.00 H new ATOM 334 N ALA A 25 -9.639 2.385 -2.918 1.00 0.00 N ATOM 335 CA ALA A 25 -8.328 3.020 -2.890 1.00 0.00 C ATOM 336 C ALA A 25 -7.239 2.052 -3.338 1.00 0.00 C ATOM 337 O ALA A 25 -7.370 0.839 -3.177 1.00 0.00 O ATOM 338 CB ALA A 25 -8.026 3.547 -1.494 1.00 0.00 C ATOM 0 H ALA A 25 -9.706 1.530 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.343 3.857 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.043 4.019 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.782 4.279 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.036 2.721 -0.783 1.00 0.00 H new ATOM 344 N GLU A 26 -6.165 2.596 -3.903 1.00 0.00 N ATOM 345 CA GLU A 26 -5.055 1.778 -4.376 1.00 0.00 C ATOM 346 C GLU A 26 -3.730 2.521 -4.230 1.00 0.00 C ATOM 347 O GLU A 26 -3.634 3.709 -4.540 1.00 0.00 O ATOM 348 CB GLU A 26 -5.271 1.381 -5.838 1.00 0.00 C ATOM 349 CG GLU A 26 -6.554 0.602 -6.074 1.00 0.00 C ATOM 350 CD GLU A 26 -6.731 0.196 -7.524 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.756 -0.303 -8.123 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.844 0.379 -8.060 1.00 0.00 O ATOM 0 H GLU A 26 -6.041 3.599 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.016 0.877 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.284 2.281 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.425 0.780 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.553 -0.290 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.405 1.208 -5.764 1.00 0.00 H new ATOM 359 N LEU A 27 -2.711 1.814 -3.754 1.00 0.00 N ATOM 360 CA LEU A 27 -1.391 2.406 -3.565 1.00 0.00 C ATOM 361 C LEU A 27 -0.397 1.856 -4.583 1.00 0.00 C ATOM 362 O LEU A 27 -0.001 0.692 -4.514 1.00 0.00 O ATOM 363 CB LEU A 27 -0.887 2.136 -2.146 1.00 0.00 C ATOM 364 CG LEU A 27 -1.453 3.040 -1.050 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.391 2.344 0.300 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.698 4.361 -1.006 1.00 0.00 C ATOM 0 H LEU A 27 -2.773 0.830 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.478 3.482 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.117 1.102 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.199 2.231 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.498 3.249 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.798 3.002 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.976 1.425 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.355 2.105 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.114 4.992 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.355 4.171 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.794 4.867 -1.967 1.00 0.00 H new ATOM 378 N LYS A 28 0.005 2.701 -5.527 1.00 0.00 N ATOM 379 CA LYS A 28 0.955 2.302 -6.557 1.00 0.00 C ATOM 380 C LYS A 28 2.262 1.821 -5.935 1.00 0.00 C ATOM 381 O LYS A 28 2.785 2.442 -5.009 1.00 0.00 O ATOM 382 CB LYS A 28 1.230 3.470 -7.507 1.00 0.00 C ATOM 383 CG LYS A 28 1.812 4.691 -6.817 1.00 0.00 C ATOM 384 CD LYS A 28 0.720 5.610 -6.295 1.00 0.00 C ATOM 385 CE LYS A 28 1.171 7.063 -6.286 1.00 0.00 C ATOM 386 NZ LYS A 28 1.236 7.631 -7.661 1.00 0.00 N ATOM 0 H LYS A 28 -0.313 3.667 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 28 0.516 1.479 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.918 3.140 -8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.301 3.751 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.448 4.374 -5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.446 5.237 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.170 5.508 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.441 5.308 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.483 7.653 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.152 7.136 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.278 8.669 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.085 7.275 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.390 7.347 -8.194 1.00 0.00 H new ATOM 400 N CYS A 29 2.785 0.714 -6.450 1.00 0.00 N ATOM 401 CA CYS A 29 4.032 0.150 -5.945 1.00 0.00 C ATOM 402 C CYS A 29 4.599 -0.877 -6.920 1.00 0.00 C ATOM 403 O CYS A 29 3.918 -1.829 -7.299 1.00 0.00 O ATOM 404 CB CYS A 29 3.807 -0.497 -4.578 1.00 0.00 C ATOM 405 SG CYS A 29 5.088 -1.681 -4.102 1.00 0.00 S ATOM 0 H CYS A 29 2.365 0.189 -7.217 1.00 0.00 H new ATOM 0 HA CYS A 29 4.752 0.961 -5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.752 0.286 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.842 -1.004 -4.582 1.00 0.00 H new ATOM 0 HG CYS A 29 4.811 -2.173 -2.931 1.00 0.00 H new ATOM 411 N ARG A 30 5.849 -0.675 -7.323 1.00 0.00 N ATOM 412 CA ARG A 30 6.507 -1.581 -8.257 1.00 0.00 C ATOM 413 C ARG A 30 7.780 -2.161 -7.646 1.00 0.00 C ATOM 414 O ARG A 30 8.653 -1.424 -7.188 1.00 0.00 O ATOM 415 CB ARG A 30 6.840 -0.853 -9.560 1.00 0.00 C ATOM 416 CG ARG A 30 5.616 -0.338 -10.300 1.00 0.00 C ATOM 417 CD ARG A 30 5.851 -0.291 -11.801 1.00 0.00 C ATOM 418 NE ARG A 30 6.801 0.754 -12.173 1.00 0.00 N ATOM 419 CZ ARG A 30 6.466 2.030 -12.332 1.00 0.00 C ATOM 420 NH1 ARG A 30 5.210 2.416 -12.151 1.00 0.00 N ATOM 421 NH2 ARG A 30 7.387 2.922 -12.671 1.00 0.00 N ATOM 0 H ARG A 30 6.427 0.108 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 30 5.821 -2.400 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.500 -0.014 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.391 -1.529 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.762 -0.980 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.364 0.659 -9.939 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.224 -1.257 -12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.903 -0.118 -12.311 1.00 0.00 H new ATOM 0 HE ARG A 30 7.775 0.490 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.499 1.733 -11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.955 3.396 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.354 2.629 -12.810 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.128 3.901 -12.793 1.00 0.00 H new ATOM 435 N THR A 31 7.878 -3.487 -7.643 1.00 0.00 N ATOM 436 CA THR A 31 9.042 -4.166 -7.087 1.00 0.00 C ATOM 437 C THR A 31 9.679 -5.094 -8.115 1.00 0.00 C ATOM 438 O THR A 31 9.015 -5.620 -9.009 1.00 0.00 O ATOM 439 CB THR A 31 8.671 -4.983 -5.835 1.00 0.00 C ATOM 440 OG1 THR A 31 7.726 -6.003 -6.177 1.00 0.00 O ATOM 441 CG2 THR A 31 8.086 -4.084 -4.756 1.00 0.00 C ATOM 0 H THR A 31 7.165 -4.112 -8.019 1.00 0.00 H new ATOM 0 HA THR A 31 9.757 -3.392 -6.808 1.00 0.00 H new ATOM 0 HB THR A 31 9.579 -5.445 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.946 -6.828 -5.695 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.832 -4.683 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.819 -3.327 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.188 -3.597 -5.136 1.00 0.00 H new ATOM 449 N PRO A 32 10.998 -5.301 -7.988 1.00 0.00 N ATOM 450 CA PRO A 32 11.754 -6.168 -8.897 1.00 0.00 C ATOM 451 C PRO A 32 11.405 -7.641 -8.717 1.00 0.00 C ATOM 452 O PRO A 32 10.722 -8.031 -7.770 1.00 0.00 O ATOM 453 CB PRO A 32 13.211 -5.911 -8.502 1.00 0.00 C ATOM 454 CG PRO A 32 13.145 -5.463 -7.083 1.00 0.00 C ATOM 455 CD PRO A 32 11.853 -4.707 -6.947 1.00 0.00 C ATOM 0 HA PRO A 32 11.537 -5.951 -9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.814 -6.813 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.665 -5.150 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.172 -6.315 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.996 -4.829 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.420 -4.828 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.995 -3.638 -7.105 1.00 0.00 H new ATOM 463 N PRO A 33 11.885 -8.481 -9.647 1.00 0.00 N ATOM 464 CA PRO A 33 11.637 -9.926 -9.612 1.00 0.00 C ATOM 465 C PRO A 33 12.376 -10.613 -8.469 1.00 0.00 C ATOM 466 O PRO A 33 13.378 -10.102 -7.969 1.00 0.00 O ATOM 467 CB PRO A 33 12.171 -10.410 -10.962 1.00 0.00 C ATOM 468 CG PRO A 33 13.194 -9.399 -11.349 1.00 0.00 C ATOM 469 CD PRO A 33 12.706 -8.086 -10.803 1.00 0.00 C ATOM 0 HA PRO A 33 10.584 -10.155 -9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.609 -11.405 -10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.375 -10.471 -11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.170 -9.654 -10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.307 -9.353 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.534 -7.442 -10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.122 -7.536 -11.541 1.00 0.00 H new ATOM 477 N MET A 34 11.875 -11.774 -8.060 1.00 0.00 N ATOM 478 CA MET A 34 12.489 -12.532 -6.976 1.00 0.00 C ATOM 479 C MET A 34 12.609 -11.680 -5.716 1.00 0.00 C ATOM 480 O MET A 34 13.667 -11.627 -5.090 1.00 0.00 O ATOM 481 CB MET A 34 13.871 -13.037 -7.398 1.00 0.00 C ATOM 482 CG MET A 34 13.911 -13.586 -8.814 1.00 0.00 C ATOM 483 SD MET A 34 15.392 -14.562 -9.139 1.00 0.00 S ATOM 484 CE MET A 34 14.713 -16.219 -9.139 1.00 0.00 C ATOM 0 H MET A 34 11.046 -12.210 -8.463 1.00 0.00 H new ATOM 0 HA MET A 34 11.849 -13.386 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 34 14.588 -12.221 -7.313 1.00 0.00 H new ATOM 0 HB3 MET A 34 14.191 -13.816 -6.706 1.00 0.00 H new ATOM 0 HG2 MET A 34 13.029 -14.203 -8.985 1.00 0.00 H new ATOM 0 HG3 MET A 34 13.863 -12.758 -9.522 1.00 0.00 H new ATOM 0 HE1 MET A 34 15.510 -16.939 -9.328 1.00 0.00 H new ATOM 0 HE2 MET A 34 14.259 -16.426 -8.170 1.00 0.00 H new ATOM 0 HE3 MET A 34 13.957 -16.302 -9.919 1.00 0.00 H new ATOM 494 N SER A 35 11.517 -11.016 -5.351 1.00 0.00 N ATOM 495 CA SER A 35 11.501 -10.163 -4.168 1.00 0.00 C ATOM 496 C SER A 35 10.272 -10.446 -3.311 1.00 0.00 C ATOM 497 O SER A 35 9.347 -11.135 -3.741 1.00 0.00 O ATOM 498 CB SER A 35 11.524 -8.689 -4.576 1.00 0.00 C ATOM 499 OG SER A 35 12.595 -8.421 -5.464 1.00 0.00 O ATOM 0 H SER A 35 10.632 -11.052 -5.857 1.00 0.00 H new ATOM 0 HA SER A 35 12.391 -10.384 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.579 -8.425 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.619 -8.064 -3.688 1.00 0.00 H new ATOM 0 HG SER A 35 12.244 -8.294 -6.370 1.00 0.00 H new ATOM 505 N SER A 36 10.270 -9.911 -2.094 1.00 0.00 N ATOM 506 CA SER A 36 9.157 -10.108 -1.173 1.00 0.00 C ATOM 507 C SER A 36 8.356 -8.821 -1.006 1.00 0.00 C ATOM 508 O SER A 36 8.889 -7.793 -0.588 1.00 0.00 O ATOM 509 CB SER A 36 9.671 -10.583 0.187 1.00 0.00 C ATOM 510 OG SER A 36 8.606 -10.744 1.107 1.00 0.00 O ATOM 0 H SER A 36 11.027 -9.337 -1.723 1.00 0.00 H new ATOM 0 HA SER A 36 8.501 -10.871 -1.592 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.200 -11.529 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.389 -9.863 0.580 1.00 0.00 H new ATOM 0 HG SER A 36 8.961 -11.050 1.968 1.00 0.00 H new ATOM 516 N VAL A 37 7.069 -8.885 -1.335 1.00 0.00 N ATOM 517 CA VAL A 37 6.192 -7.726 -1.221 1.00 0.00 C ATOM 518 C VAL A 37 5.374 -7.780 0.065 1.00 0.00 C ATOM 519 O VAL A 37 4.646 -8.742 0.310 1.00 0.00 O ATOM 520 CB VAL A 37 5.233 -7.627 -2.422 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.200 -6.535 -2.192 1.00 0.00 C ATOM 522 CG2 VAL A 37 6.012 -7.375 -3.705 1.00 0.00 C ATOM 0 H VAL A 37 6.611 -9.728 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 37 6.833 -6.845 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 37 4.706 -8.576 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.531 -6.480 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.622 -6.764 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.705 -5.578 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.319 -7.308 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.567 -6.441 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.709 -8.196 -3.875 1.00 0.00 H new ATOM 532 N LYS A 38 5.499 -6.741 0.883 1.00 0.00 N ATOM 533 CA LYS A 38 4.771 -6.668 2.144 1.00 0.00 C ATOM 534 C LYS A 38 4.220 -5.264 2.373 1.00 0.00 C ATOM 535 O LYS A 38 4.734 -4.289 1.826 1.00 0.00 O ATOM 536 CB LYS A 38 5.682 -7.066 3.307 1.00 0.00 C ATOM 537 CG LYS A 38 5.952 -8.559 3.384 1.00 0.00 C ATOM 538 CD LYS A 38 6.429 -8.968 4.768 1.00 0.00 C ATOM 539 CE LYS A 38 6.059 -10.410 5.081 1.00 0.00 C ATOM 540 NZ LYS A 38 7.007 -11.028 6.049 1.00 0.00 N ATOM 0 H LYS A 38 6.098 -5.937 0.695 1.00 0.00 H new ATOM 0 HA LYS A 38 3.934 -7.364 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.631 -6.538 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.228 -6.739 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.044 -9.107 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.703 -8.833 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.510 -8.846 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.989 -8.308 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.049 -10.445 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.051 -10.991 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.721 -12.010 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.967 -11.017 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.996 -10.489 6.938 1.00 0.00 H new ATOM 554 N TRP A 39 3.174 -5.170 3.186 1.00 0.00 N ATOM 555 CA TRP A 39 2.555 -3.884 3.489 1.00 0.00 C ATOM 556 C TRP A 39 2.305 -3.739 4.986 1.00 0.00 C ATOM 557 O TRP A 39 1.431 -4.402 5.546 1.00 0.00 O ATOM 558 CB TRP A 39 1.240 -3.735 2.723 1.00 0.00 C ATOM 559 CG TRP A 39 1.432 -3.421 1.270 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.568 -4.317 0.248 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.511 -2.120 0.677 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.727 -3.652 -0.943 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.694 -2.303 -0.707 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.442 -0.818 1.181 1.00 0.00 C ATOM 565 CZ2 TRP A 39 1.811 -1.233 -1.591 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.558 0.243 0.303 1.00 0.00 C ATOM 567 CH2 TRP A 39 1.740 0.031 -1.070 1.00 0.00 C ATOM 0 H TRP A 39 2.737 -5.968 3.647 1.00 0.00 H new ATOM 0 HA TRP A 39 3.241 -3.096 3.177 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.667 -4.658 2.815 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.647 -2.944 3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.553 -5.391 0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.850 -4.091 -1.855 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.301 -0.644 2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 1.953 -1.395 -2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.507 1.253 0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.826 0.881 -1.730 1.00 0.00 H new ATOM 578 N LEU A 40 3.076 -2.870 5.629 1.00 0.00 N ATOM 579 CA LEU A 40 2.937 -2.638 7.063 1.00 0.00 C ATOM 580 C LEU A 40 1.868 -1.587 7.344 1.00 0.00 C ATOM 581 O LEU A 40 1.891 -0.495 6.775 1.00 0.00 O ATOM 582 CB LEU A 40 4.274 -2.194 7.660 1.00 0.00 C ATOM 583 CG LEU A 40 4.456 -2.445 9.157 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.867 -2.078 9.592 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.428 -1.660 9.959 1.00 0.00 C ATOM 0 H LEU A 40 3.804 -2.314 5.181 1.00 0.00 H new ATOM 0 HA LEU A 40 2.631 -3.575 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.075 -2.705 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.396 -1.127 7.473 1.00 0.00 H new ATOM 0 HG LEU A 40 4.303 -3.507 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.978 -2.263 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.587 -2.684 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.049 -1.023 9.386 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.573 -1.851 11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.549 -0.595 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.425 -1.971 9.668 1.00 0.00 H new ATOM 597 N LEU A 41 0.933 -1.923 8.225 1.00 0.00 N ATOM 598 CA LEU A 41 -0.145 -1.008 8.584 1.00 0.00 C ATOM 599 C LEU A 41 0.273 -0.099 9.735 1.00 0.00 C ATOM 600 O LEU A 41 1.113 -0.452 10.563 1.00 0.00 O ATOM 601 CB LEU A 41 -1.401 -1.792 8.969 1.00 0.00 C ATOM 602 CG LEU A 41 -1.922 -2.779 7.923 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.265 -2.055 6.630 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.898 -3.875 7.667 1.00 0.00 C ATOM 0 H LEU A 41 0.899 -2.823 8.704 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.364 -0.387 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.195 -2.342 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.195 -1.080 9.195 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.831 -3.241 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.634 -2.773 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.034 -1.308 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.373 -1.565 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.286 -4.568 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.028 -3.430 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.702 -4.413 8.594 1.00 0.00 H new ATOM 616 N PRO A 42 -0.327 1.099 9.792 1.00 0.00 N ATOM 617 CA PRO A 42 -0.035 2.082 10.839 1.00 0.00 C ATOM 618 C PRO A 42 -0.556 1.647 12.205 1.00 0.00 C ATOM 619 O PRO A 42 -0.447 2.384 13.184 1.00 0.00 O ATOM 620 CB PRO A 42 -0.768 3.338 10.362 1.00 0.00 C ATOM 621 CG PRO A 42 -1.870 2.828 9.499 1.00 0.00 C ATOM 622 CD PRO A 42 -1.338 1.586 8.838 1.00 0.00 C ATOM 0 HA PRO A 42 1.037 2.224 10.976 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.157 3.913 11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.102 3.998 9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.758 2.605 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.160 3.571 8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.124 0.849 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.899 1.805 7.864 1.00 0.00 H new ATOM 630 N ASN A 43 -1.122 0.446 12.262 1.00 0.00 N ATOM 631 CA ASN A 43 -1.660 -0.087 13.508 1.00 0.00 C ATOM 632 C ASN A 43 -0.690 -1.080 14.139 1.00 0.00 C ATOM 633 O ASN A 43 -0.958 -1.635 15.204 1.00 0.00 O ATOM 634 CB ASN A 43 -3.009 -0.764 13.256 1.00 0.00 C ATOM 635 CG ASN A 43 -3.112 -1.348 11.860 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.514 -0.665 10.918 1.00 0.00 O ATOM 637 ND2 ASN A 43 -2.747 -2.617 11.722 1.00 0.00 N ATOM 0 H ASN A 43 -1.220 -0.176 11.460 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.801 0.744 14.199 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.157 -1.556 13.990 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.809 -0.039 13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.794 -3.064 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.420 -3.145 12.531 1.00 0.00 H new ATOM 644 N GLY A 44 0.441 -1.298 13.474 1.00 0.00 N ATOM 645 CA GLY A 44 1.435 -2.224 13.985 1.00 0.00 C ATOM 646 C GLY A 44 1.475 -3.522 13.204 1.00 0.00 C ATOM 647 O GLY A 44 2.527 -4.150 13.080 1.00 0.00 O ATOM 0 H GLY A 44 0.686 -0.850 12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.417 -1.753 13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.221 -2.440 15.032 1.00 0.00 H new ATOM 651 N THR A 45 0.324 -3.929 12.676 1.00 0.00 N ATOM 652 CA THR A 45 0.230 -5.162 11.906 1.00 0.00 C ATOM 653 C THR A 45 0.808 -4.981 10.507 1.00 0.00 C ATOM 654 O THR A 45 1.112 -3.864 10.089 1.00 0.00 O ATOM 655 CB THR A 45 -1.229 -5.642 11.789 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.889 -5.514 13.053 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.287 -7.089 11.323 1.00 0.00 C ATOM 0 H THR A 45 -0.556 -3.422 12.768 1.00 0.00 H new ATOM 0 HA THR A 45 0.809 -5.914 12.441 1.00 0.00 H new ATOM 0 HB THR A 45 -1.736 -5.020 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.816 -5.819 12.970 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.327 -7.406 11.248 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.810 -7.176 10.347 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.766 -7.723 12.040 1.00 0.00 H new ATOM 665 N VAL A 46 0.956 -6.088 9.785 1.00 0.00 N ATOM 666 CA VAL A 46 1.496 -6.051 8.431 1.00 0.00 C ATOM 667 C VAL A 46 0.961 -7.208 7.595 1.00 0.00 C ATOM 668 O VAL A 46 1.007 -8.366 8.014 1.00 0.00 O ATOM 669 CB VAL A 46 3.035 -6.106 8.439 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.522 -7.336 9.190 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.575 -6.092 7.017 1.00 0.00 C ATOM 0 H VAL A 46 0.709 -7.021 10.115 1.00 0.00 H new ATOM 0 HA VAL A 46 1.176 -5.108 7.988 1.00 0.00 H new ATOM 0 HB VAL A 46 3.410 -5.222 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.612 -7.358 9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.165 -7.299 10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.139 -8.234 8.705 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.664 -6.131 7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.193 -6.956 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.256 -5.178 6.516 1.00 0.00 H new ATOM 681 N LEU A 47 0.454 -6.889 6.409 1.00 0.00 N ATOM 682 CA LEU A 47 -0.090 -7.903 5.512 1.00 0.00 C ATOM 683 C LEU A 47 0.880 -8.198 4.373 1.00 0.00 C ATOM 684 O LEU A 47 1.875 -7.496 4.193 1.00 0.00 O ATOM 685 CB LEU A 47 -1.435 -7.442 4.946 1.00 0.00 C ATOM 686 CG LEU A 47 -2.548 -7.206 5.967 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.742 -6.532 5.310 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.964 -8.519 6.615 1.00 0.00 C ATOM 0 H LEU A 47 0.408 -5.937 6.046 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.238 -8.819 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.275 -6.517 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.779 -8.187 4.229 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.167 -6.544 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.524 -6.372 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.435 -5.572 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.125 -7.168 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.757 -8.332 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.326 -9.204 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.107 -8.962 7.122 1.00 0.00 H new ATOM 700 N SER A 48 0.582 -9.241 3.604 1.00 0.00 N ATOM 701 CA SER A 48 1.428 -9.631 2.483 1.00 0.00 C ATOM 702 C SER A 48 0.632 -10.423 1.450 1.00 0.00 C ATOM 703 O SER A 48 -0.572 -10.630 1.604 1.00 0.00 O ATOM 704 CB SER A 48 2.614 -10.462 2.976 1.00 0.00 C ATOM 705 OG SER A 48 2.176 -11.578 3.731 1.00 0.00 O ATOM 0 H SER A 48 -0.239 -9.831 3.737 1.00 0.00 H new ATOM 0 HA SER A 48 1.801 -8.723 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.202 -10.804 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.269 -9.840 3.587 1.00 0.00 H new ATOM 0 HG SER A 48 2.953 -12.094 4.033 1.00 0.00 H new ATOM 711 N HIS A 49 1.313 -10.864 0.398 1.00 0.00 N ATOM 712 CA HIS A 49 0.671 -11.635 -0.661 1.00 0.00 C ATOM 713 C HIS A 49 -0.154 -12.778 -0.077 1.00 0.00 C ATOM 714 O HIS A 49 -1.256 -13.063 -0.545 1.00 0.00 O ATOM 715 CB HIS A 49 1.719 -12.189 -1.626 1.00 0.00 C ATOM 716 CG HIS A 49 2.161 -11.201 -2.661 1.00 0.00 C ATOM 717 ND1 HIS A 49 1.280 -10.484 -3.442 1.00 0.00 N ATOM 718 CD2 HIS A 49 3.401 -10.811 -3.041 1.00 0.00 C ATOM 719 CE1 HIS A 49 1.958 -9.697 -4.259 1.00 0.00 C ATOM 720 NE2 HIS A 49 3.247 -9.876 -4.035 1.00 0.00 N ATOM 0 H HIS A 49 2.310 -10.701 0.256 1.00 0.00 H new ATOM 0 HA HIS A 49 0.003 -10.969 -1.206 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.588 -12.519 -1.056 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.312 -13.069 -2.125 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.337 -11.169 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.531 -9.022 -4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.005 -9.397 -4.521 1.00 0.00 H new ATOM 729 N ALA A 50 0.387 -13.428 0.948 1.00 0.00 N ATOM 730 CA ALA A 50 -0.299 -14.539 1.596 1.00 0.00 C ATOM 731 C ALA A 50 -1.631 -14.090 2.189 1.00 0.00 C ATOM 732 O ALA A 50 -2.680 -14.652 1.877 1.00 0.00 O ATOM 733 CB ALA A 50 0.584 -15.146 2.677 1.00 0.00 C ATOM 0 H ALA A 50 1.298 -13.204 1.348 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.504 -15.298 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.059 -15.975 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.508 -15.511 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.818 -14.388 3.424 1.00 0.00 H new ATOM 739 N SER A 51 -1.580 -13.075 3.046 1.00 0.00 N ATOM 740 CA SER A 51 -2.783 -12.554 3.685 1.00 0.00 C ATOM 741 C SER A 51 -3.979 -12.638 2.743 1.00 0.00 C ATOM 742 O SER A 51 -3.866 -12.349 1.551 1.00 0.00 O ATOM 743 CB SER A 51 -2.565 -11.105 4.125 1.00 0.00 C ATOM 744 OG SER A 51 -3.434 -10.759 5.189 1.00 0.00 O ATOM 0 H SER A 51 -0.719 -12.597 3.314 1.00 0.00 H new ATOM 0 HA SER A 51 -2.992 -13.165 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.530 -10.968 4.438 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.734 -10.436 3.281 1.00 0.00 H new ATOM 0 HG SER A 51 -3.162 -11.235 6.001 1.00 0.00 H new ATOM 750 N ARG A 52 -5.125 -13.036 3.285 1.00 0.00 N ATOM 751 CA ARG A 52 -6.343 -13.159 2.494 1.00 0.00 C ATOM 752 C ARG A 52 -7.284 -11.986 2.756 1.00 0.00 C ATOM 753 O ARG A 52 -8.435 -11.989 2.318 1.00 0.00 O ATOM 754 CB ARG A 52 -7.053 -14.476 2.813 1.00 0.00 C ATOM 755 CG ARG A 52 -7.214 -14.737 4.301 1.00 0.00 C ATOM 756 CD ARG A 52 -8.033 -15.991 4.562 1.00 0.00 C ATOM 757 NE ARG A 52 -9.371 -15.901 3.985 1.00 0.00 N ATOM 758 CZ ARG A 52 -9.649 -16.205 2.723 1.00 0.00 C ATOM 759 NH1 ARG A 52 -8.687 -16.617 1.909 1.00 0.00 N ATOM 760 NH2 ARG A 52 -10.893 -16.098 2.271 1.00 0.00 N ATOM 0 H ARG A 52 -5.235 -13.279 4.269 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.063 -13.150 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.038 -14.471 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.493 -15.298 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.232 -14.841 4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.698 -13.881 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.516 -16.855 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.112 -16.155 5.637 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.134 -15.587 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.730 -16.701 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.904 -16.850 0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.636 -15.782 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.105 -16.332 1.301 1.00 0.00 H new ATOM 774 N HIS A 53 -6.785 -10.984 3.474 1.00 0.00 N ATOM 775 CA HIS A 53 -7.581 -9.804 3.795 1.00 0.00 C ATOM 776 C HIS A 53 -8.538 -9.468 2.655 1.00 0.00 C ATOM 777 O HIS A 53 -8.155 -9.411 1.487 1.00 0.00 O ATOM 778 CB HIS A 53 -6.669 -8.610 4.079 1.00 0.00 C ATOM 779 CG HIS A 53 -7.275 -7.601 5.004 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.324 -6.783 4.642 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.974 -7.280 6.284 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.642 -6.002 5.659 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.838 -6.284 6.668 1.00 0.00 N ATOM 0 H HIS A 53 -5.835 -10.966 3.844 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.168 -10.023 4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.735 -8.971 4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.418 -8.123 3.137 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.199 -7.724 6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.426 -5.259 5.664 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.856 -5.835 7.584 1.00 0.00 H new ATOM 792 N PRO A 54 -9.814 -9.242 3.001 1.00 0.00 N ATOM 793 CA PRO A 54 -10.852 -8.908 2.022 1.00 0.00 C ATOM 794 C PRO A 54 -10.664 -7.516 1.428 1.00 0.00 C ATOM 795 O PRO A 54 -10.662 -7.346 0.209 1.00 0.00 O ATOM 796 CB PRO A 54 -12.145 -8.969 2.840 1.00 0.00 C ATOM 797 CG PRO A 54 -11.718 -8.704 4.242 1.00 0.00 C ATOM 798 CD PRO A 54 -10.341 -9.293 4.375 1.00 0.00 C ATOM 0 HA PRO A 54 -10.839 -9.586 1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.865 -8.226 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.625 -9.943 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.706 -7.634 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.408 -9.160 4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.723 -8.718 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.376 -10.314 4.754 1.00 0.00 H new ATOM 806 N ARG A 55 -10.504 -6.524 2.298 1.00 0.00 N ATOM 807 CA ARG A 55 -10.315 -5.146 1.859 1.00 0.00 C ATOM 808 C ARG A 55 -8.917 -4.947 1.281 1.00 0.00 C ATOM 809 O ARG A 55 -8.758 -4.699 0.086 1.00 0.00 O ATOM 810 CB ARG A 55 -10.539 -4.182 3.025 1.00 0.00 C ATOM 811 CG ARG A 55 -12.004 -3.982 3.377 1.00 0.00 C ATOM 812 CD ARG A 55 -12.167 -3.107 4.610 1.00 0.00 C ATOM 813 NE ARG A 55 -11.048 -3.255 5.537 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.915 -2.569 5.437 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.751 -1.693 4.456 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.943 -2.759 6.321 1.00 0.00 N ATOM 0 H ARG A 55 -10.501 -6.648 3.310 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.046 -4.936 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.011 -4.557 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.099 -3.216 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.523 -3.525 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.473 -4.950 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.250 -2.064 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.096 -3.366 5.118 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.142 -3.922 6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.496 -1.544 3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.880 -1.168 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.066 -3.432 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.073 -2.232 6.244 1.00 0.00 H new ATOM 830 N ILE A 56 -7.907 -5.056 2.138 1.00 0.00 N ATOM 831 CA ILE A 56 -6.523 -4.889 1.713 1.00 0.00 C ATOM 832 C ILE A 56 -6.073 -6.052 0.835 1.00 0.00 C ATOM 833 O ILE A 56 -5.714 -7.117 1.336 1.00 0.00 O ATOM 834 CB ILE A 56 -5.573 -4.773 2.919 1.00 0.00 C ATOM 835 CG1 ILE A 56 -6.062 -3.685 3.878 1.00 0.00 C ATOM 836 CG2 ILE A 56 -4.156 -4.476 2.452 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.349 -3.691 5.213 1.00 0.00 C ATOM 0 H ILE A 56 -8.022 -5.259 3.131 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.480 -3.964 1.137 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.567 -5.725 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.928 -2.711 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.131 -3.814 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.497 -4.397 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.810 -5.282 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.144 -3.536 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.746 -2.894 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.504 -4.652 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.282 -3.532 5.056 1.00 0.00 H new ATOM 849 N SER A 57 -6.093 -5.838 -0.477 1.00 0.00 N ATOM 850 CA SER A 57 -5.688 -6.870 -1.425 1.00 0.00 C ATOM 851 C SER A 57 -4.357 -6.514 -2.080 1.00 0.00 C ATOM 852 O SER A 57 -4.253 -5.520 -2.800 1.00 0.00 O ATOM 853 CB SER A 57 -6.764 -7.056 -2.497 1.00 0.00 C ATOM 854 OG SER A 57 -7.891 -7.738 -1.975 1.00 0.00 O ATOM 0 H SER A 57 -6.385 -4.960 -0.907 1.00 0.00 H new ATOM 0 HA SER A 57 -5.564 -7.804 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.070 -6.083 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.352 -7.616 -3.336 1.00 0.00 H new ATOM 0 HG SER A 57 -8.565 -7.843 -2.679 1.00 0.00 H new ATOM 860 N VAL A 58 -3.342 -7.332 -1.825 1.00 0.00 N ATOM 861 CA VAL A 58 -2.017 -7.105 -2.390 1.00 0.00 C ATOM 862 C VAL A 58 -1.899 -7.722 -3.779 1.00 0.00 C ATOM 863 O VAL A 58 -1.521 -8.885 -3.924 1.00 0.00 O ATOM 864 CB VAL A 58 -0.914 -7.689 -1.486 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.456 -7.476 -2.111 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.979 -7.068 -0.099 1.00 0.00 C ATOM 0 H VAL A 58 -3.411 -8.158 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.884 -6.026 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.079 -8.762 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.223 -7.895 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.494 -7.972 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.634 -6.409 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.193 -7.492 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.840 -5.990 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.951 -7.277 0.348 1.00 0.00 H new ATOM 876 N LEU A 59 -2.224 -6.935 -4.799 1.00 0.00 N ATOM 877 CA LEU A 59 -2.154 -7.402 -6.179 1.00 0.00 C ATOM 878 C LEU A 59 -0.757 -7.915 -6.510 1.00 0.00 C ATOM 879 O LEU A 59 0.241 -7.381 -6.028 1.00 0.00 O ATOM 880 CB LEU A 59 -2.537 -6.275 -7.140 1.00 0.00 C ATOM 881 CG LEU A 59 -3.748 -5.433 -6.738 1.00 0.00 C ATOM 882 CD1 LEU A 59 -4.099 -4.444 -7.838 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.939 -6.327 -6.422 1.00 0.00 C ATOM 0 H LEU A 59 -2.539 -5.970 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.860 -8.225 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.679 -5.612 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.732 -6.711 -8.120 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.493 -4.871 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.963 -3.853 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.252 -3.782 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.334 -4.987 -8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.792 -5.710 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.195 -6.917 -7.302 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.684 -6.995 -5.599 1.00 0.00 H new ATOM 895 N ASN A 60 -0.694 -8.954 -7.337 1.00 0.00 N ATOM 896 CA ASN A 60 0.582 -9.538 -7.734 1.00 0.00 C ATOM 897 C ASN A 60 1.648 -8.459 -7.897 1.00 0.00 C ATOM 898 O ASN A 60 2.593 -8.382 -7.112 1.00 0.00 O ATOM 899 CB ASN A 60 0.425 -10.317 -9.042 1.00 0.00 C ATOM 900 CG ASN A 60 -0.509 -9.627 -10.017 1.00 0.00 C ATOM 901 OD1 ASN A 60 -0.066 -8.934 -10.934 1.00 0.00 O ATOM 902 ND2 ASN A 60 -1.810 -9.813 -9.823 1.00 0.00 N ATOM 0 H ASN A 60 -1.511 -9.408 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 60 0.900 -10.222 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.403 -10.442 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.045 -11.315 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.487 -9.373 -10.447 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.132 -10.395 -9.050 1.00 0.00 H new ATOM 909 N ASP A 61 1.488 -7.627 -8.920 1.00 0.00 N ATOM 910 CA ASP A 61 2.435 -6.550 -9.186 1.00 0.00 C ATOM 911 C ASP A 61 2.993 -5.984 -7.884 1.00 0.00 C ATOM 912 O ASP A 61 4.189 -5.720 -7.773 1.00 0.00 O ATOM 913 CB ASP A 61 1.762 -5.438 -9.993 1.00 0.00 C ATOM 914 CG ASP A 61 0.898 -5.979 -11.115 1.00 0.00 C ATOM 915 OD1 ASP A 61 1.346 -6.915 -11.810 1.00 0.00 O ATOM 916 OD2 ASP A 61 -0.226 -5.466 -11.299 1.00 0.00 O ATOM 0 H ASP A 61 0.711 -7.678 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 61 3.261 -6.961 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.149 -4.830 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.526 -4.783 -10.411 1.00 0.00 H new ATOM 921 N GLY A 62 2.117 -5.799 -6.901 1.00 0.00 N ATOM 922 CA GLY A 62 2.541 -5.265 -5.620 1.00 0.00 C ATOM 923 C GLY A 62 1.750 -4.037 -5.214 1.00 0.00 C ATOM 924 O GLY A 62 2.237 -3.197 -4.456 1.00 0.00 O ATOM 0 H GLY A 62 1.121 -6.009 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.431 -6.034 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.600 -5.012 -5.668 1.00 0.00 H new ATOM 928 N THR A 63 0.525 -3.930 -5.719 1.00 0.00 N ATOM 929 CA THR A 63 -0.334 -2.795 -5.407 1.00 0.00 C ATOM 930 C THR A 63 -1.289 -3.125 -4.266 1.00 0.00 C ATOM 931 O THR A 63 -1.826 -4.231 -4.193 1.00 0.00 O ATOM 932 CB THR A 63 -1.153 -2.356 -6.636 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.274 -1.975 -7.700 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.070 -1.193 -6.287 1.00 0.00 C ATOM 0 H THR A 63 0.105 -4.616 -6.346 1.00 0.00 H new ATOM 0 HA THR A 63 0.320 -1.978 -5.104 1.00 0.00 H new ATOM 0 HB THR A 63 -1.766 -3.198 -6.957 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.802 -1.699 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.638 -0.900 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.757 -1.496 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.472 -0.349 -5.944 1.00 0.00 H new ATOM 942 N LEU A 64 -1.496 -2.160 -3.377 1.00 0.00 N ATOM 943 CA LEU A 64 -2.388 -2.349 -2.238 1.00 0.00 C ATOM 944 C LEU A 64 -3.758 -1.735 -2.511 1.00 0.00 C ATOM 945 O LEU A 64 -3.922 -0.516 -2.470 1.00 0.00 O ATOM 946 CB LEU A 64 -1.779 -1.726 -0.980 1.00 0.00 C ATOM 947 CG LEU A 64 -2.159 -2.386 0.346 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.734 -3.846 0.358 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.532 -1.636 1.513 1.00 0.00 C ATOM 0 H LEU A 64 -1.059 -1.240 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.515 -3.420 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.694 -1.749 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.074 -0.677 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.243 -2.345 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.013 -4.298 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.230 -4.376 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.654 -3.912 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.813 -2.119 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.447 -1.646 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.887 -0.605 1.516 1.00 0.00 H new ATOM 961 N ASN A 65 -4.738 -2.588 -2.787 1.00 0.00 N ATOM 962 CA ASN A 65 -6.095 -2.130 -3.065 1.00 0.00 C ATOM 963 C ASN A 65 -6.966 -2.219 -1.816 1.00 0.00 C ATOM 964 O ASN A 65 -6.763 -3.085 -0.965 1.00 0.00 O ATOM 965 CB ASN A 65 -6.714 -2.958 -4.193 1.00 0.00 C ATOM 966 CG ASN A 65 -8.166 -2.598 -4.444 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.431 -1.973 -5.585 1.00 0.00 O flip ATOM 968 ND2 ASN A 65 -9.038 -2.879 -3.622 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.619 -3.600 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.043 -1.087 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.141 -2.806 -5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.643 -4.017 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.788 -3.360 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.010 -2.631 -3.805 1.00 0.00 H new ATOM 975 N PHE A 66 -7.936 -1.317 -1.713 1.00 0.00 N ATOM 976 CA PHE A 66 -8.839 -1.293 -0.568 1.00 0.00 C ATOM 977 C PHE A 66 -10.295 -1.289 -1.023 1.00 0.00 C ATOM 978 O PHE A 66 -10.881 -0.232 -1.256 1.00 0.00 O ATOM 979 CB PHE A 66 -8.561 -0.064 0.302 1.00 0.00 C ATOM 980 CG PHE A 66 -7.213 -0.090 0.962 1.00 0.00 C ATOM 981 CD1 PHE A 66 -6.054 -0.094 0.203 1.00 0.00 C ATOM 982 CD2 PHE A 66 -7.104 -0.110 2.344 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.812 -0.117 0.807 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.864 -0.133 2.954 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.717 -0.137 2.185 1.00 0.00 C ATOM 0 H PHE A 66 -8.117 -0.593 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.663 -2.194 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.638 0.832 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.331 0.010 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.122 -0.079 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.998 -0.108 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.917 -0.119 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.792 -0.148 4.032 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.747 -0.156 2.660 1.00 0.00 H new ATOM 995 N SER A 67 -10.873 -2.480 -1.147 1.00 0.00 N ATOM 996 CA SER A 67 -12.259 -2.615 -1.579 1.00 0.00 C ATOM 997 C SER A 67 -13.109 -1.465 -1.048 1.00 0.00 C ATOM 998 O SER A 67 -14.003 -0.969 -1.734 1.00 0.00 O ATOM 999 CB SER A 67 -12.835 -3.951 -1.104 1.00 0.00 C ATOM 1000 OG SER A 67 -14.098 -4.201 -1.696 1.00 0.00 O ATOM 0 H SER A 67 -10.403 -3.365 -0.954 1.00 0.00 H new ATOM 0 HA SER A 67 -12.278 -2.585 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.146 -4.757 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.934 -3.943 -0.019 1.00 0.00 H new ATOM 0 HG SER A 67 -14.444 -5.061 -1.378 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.822 -1.044 0.181 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.559 0.049 0.805 1.00 0.00 C ATOM 1008 C HIS A 68 -12.863 0.514 2.081 1.00 0.00 C ATOM 1009 O HIS A 68 -12.847 -0.197 3.086 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.990 -0.387 1.122 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.075 -1.427 2.196 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.606 -2.714 2.037 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.579 -1.364 3.451 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -14.818 -3.398 3.147 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.407 -2.602 4.021 1.00 0.00 N ATOM 0 H HIS A 68 -12.085 -1.443 0.763 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.588 0.882 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.568 0.486 1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.452 -0.775 0.214 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.032 -0.501 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.554 -4.432 3.312 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.688 -2.864 4.966 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.287 1.711 2.032 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.589 2.271 3.184 1.00 0.00 C ATOM 1026 C VAL A 69 -12.569 2.653 4.288 1.00 0.00 C ATOM 1027 O VAL A 69 -13.785 2.559 4.114 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.765 3.512 2.792 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.628 3.125 1.858 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.658 4.563 2.150 1.00 0.00 C ATOM 0 H VAL A 69 -12.290 2.312 1.208 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.915 1.498 3.552 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.331 3.939 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.057 4.015 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.974 2.410 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.037 2.673 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.059 5.433 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.122 4.149 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.434 4.861 2.855 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.033 3.085 5.424 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.860 3.482 6.558 1.00 0.00 C ATOM 1042 C LEU A 70 -12.179 4.579 7.370 1.00 0.00 C ATOM 1043 O LEU A 70 -10.962 4.759 7.294 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.149 2.275 7.451 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.534 0.983 6.730 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.222 -0.226 7.598 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.007 1.003 6.350 1.00 0.00 C ATOM 0 H LEU A 70 -11.029 3.169 5.584 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.801 3.873 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.266 2.079 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.955 2.539 8.135 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.945 0.910 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.503 -1.136 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.155 -0.249 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.784 -0.160 8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.263 0.076 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.614 1.100 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.201 1.848 5.689 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.970 5.309 8.149 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.443 6.387 8.978 1.00 0.00 C ATOM 1061 C LEU A 71 -11.453 5.850 10.006 1.00 0.00 C ATOM 1062 O LEU A 71 -10.741 6.615 10.656 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.586 7.117 9.687 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.535 7.911 8.788 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.560 8.661 9.625 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.753 8.875 7.908 1.00 0.00 C ATOM 0 H LEU A 71 -13.978 5.174 8.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.919 7.088 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.171 6.383 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.155 7.800 10.420 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.066 7.211 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.227 9.220 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.141 7.950 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.048 9.351 10.295 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.444 9.432 7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.196 9.570 8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.059 8.315 7.282 1.00 0.00 H new ATOM 1078 N SER A 72 -11.412 4.529 10.146 1.00 0.00 N ATOM 1079 CA SER A 72 -10.510 3.888 11.096 1.00 0.00 C ATOM 1080 C SER A 72 -9.255 3.377 10.395 1.00 0.00 C ATOM 1081 O SER A 72 -8.345 2.849 11.034 1.00 0.00 O ATOM 1082 CB SER A 72 -11.219 2.732 11.805 1.00 0.00 C ATOM 1083 OG SER A 72 -12.367 3.187 12.499 1.00 0.00 O ATOM 0 H SER A 72 -11.993 3.881 9.614 1.00 0.00 H new ATOM 0 HA SER A 72 -10.214 4.632 11.836 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.507 1.976 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.533 2.255 12.504 1.00 0.00 H new ATOM 0 HG SER A 72 -12.803 2.429 12.942 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.216 3.538 9.077 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.073 3.095 8.286 1.00 0.00 C ATOM 1091 C ASP A 73 -7.111 4.250 8.026 1.00 0.00 C ATOM 1092 O ASP A 73 -6.003 4.049 7.527 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.544 2.498 6.959 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.855 1.018 7.068 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -7.921 0.234 7.340 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.031 0.644 6.881 1.00 0.00 O ATOM 0 H ASP A 73 -9.962 3.972 8.534 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.546 2.328 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.433 3.029 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.774 2.650 6.202 1.00 0.00 H new ATOM 1101 N THR A 74 -7.542 5.460 8.367 1.00 0.00 N ATOM 1102 CA THR A 74 -6.721 6.648 8.168 1.00 0.00 C ATOM 1103 C THR A 74 -5.391 6.526 8.903 1.00 0.00 C ATOM 1104 O THR A 74 -5.354 6.207 10.091 1.00 0.00 O ATOM 1105 CB THR A 74 -7.446 7.919 8.649 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.657 8.102 7.908 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.557 9.143 8.486 1.00 0.00 C ATOM 0 H THR A 74 -8.455 5.643 8.783 1.00 0.00 H new ATOM 0 HA THR A 74 -6.535 6.728 7.097 1.00 0.00 H new ATOM 0 HB THR A 74 -7.682 7.798 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.113 8.911 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.090 10.029 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.648 9.014 9.074 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.295 9.265 7.435 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.299 6.783 8.189 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.982 6.697 8.792 1.00 0.00 C ATOM 1117 C GLY A 75 -1.871 6.704 7.760 1.00 0.00 C ATOM 1118 O GLY A 75 -1.985 7.349 6.718 1.00 0.00 O ATOM 0 H GLY A 75 -4.303 7.049 7.204 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.844 7.534 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.916 5.785 9.386 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.791 5.984 8.050 1.00 0.00 N ATOM 1123 CA VAL A 76 0.345 5.910 7.140 1.00 0.00 C ATOM 1124 C VAL A 76 0.716 4.461 6.842 1.00 0.00 C ATOM 1125 O VAL A 76 0.971 3.675 7.754 1.00 0.00 O ATOM 1126 CB VAL A 76 1.575 6.635 7.718 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.823 6.286 6.922 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.347 8.139 7.735 1.00 0.00 C ATOM 0 H VAL A 76 -0.680 5.444 8.908 1.00 0.00 H new ATOM 0 HA VAL A 76 0.043 6.403 6.216 1.00 0.00 H new ATOM 0 HB VAL A 76 1.723 6.301 8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.682 6.807 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.994 5.210 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.689 6.590 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.226 8.636 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.173 8.492 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.478 8.368 8.352 1.00 0.00 H new ATOM 1138 N TYR A 77 0.746 4.116 5.560 1.00 0.00 N ATOM 1139 CA TYR A 77 1.084 2.761 5.141 1.00 0.00 C ATOM 1140 C TYR A 77 2.523 2.690 4.637 1.00 0.00 C ATOM 1141 O TYR A 77 2.960 3.528 3.848 1.00 0.00 O ATOM 1142 CB TYR A 77 0.125 2.289 4.047 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.310 2.176 4.507 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.082 3.311 4.726 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.896 0.934 4.723 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.393 3.212 5.148 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.207 0.826 5.143 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.952 1.968 5.355 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.259 1.865 5.773 1.00 0.00 O ATOM 0 H TYR A 77 0.540 4.756 4.793 1.00 0.00 H new ATOM 0 HA TYR A 77 0.988 2.105 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.175 2.983 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.457 1.318 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.649 4.287 4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.316 0.038 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.978 4.104 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.647 -0.147 5.305 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.473 2.615 6.366 1.00 0.00 H new ATOM 1159 N THR A 78 3.255 1.681 5.099 1.00 0.00 N ATOM 1160 CA THR A 78 4.644 1.499 4.697 1.00 0.00 C ATOM 1161 C THR A 78 4.812 0.242 3.851 1.00 0.00 C ATOM 1162 O THR A 78 4.300 -0.823 4.197 1.00 0.00 O ATOM 1163 CB THR A 78 5.576 1.407 5.921 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.321 2.499 6.813 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.035 1.425 5.493 1.00 0.00 C ATOM 0 H THR A 78 2.909 0.978 5.752 1.00 0.00 H new ATOM 0 HA THR A 78 4.918 2.372 4.105 1.00 0.00 H new ATOM 0 HB THR A 78 5.376 0.466 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.916 2.433 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.673 1.359 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.232 0.577 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.246 2.352 4.960 1.00 0.00 H new ATOM 1173 N CYS A 79 5.530 0.374 2.741 1.00 0.00 N ATOM 1174 CA CYS A 79 5.764 -0.753 1.845 1.00 0.00 C ATOM 1175 C CYS A 79 7.180 -1.294 2.011 1.00 0.00 C ATOM 1176 O CYS A 79 8.152 -0.540 1.975 1.00 0.00 O ATOM 1177 CB CYS A 79 5.533 -0.332 0.393 1.00 0.00 C ATOM 1178 SG CYS A 79 6.319 1.234 -0.056 1.00 0.00 S ATOM 0 H CYS A 79 5.960 1.249 2.440 1.00 0.00 H new ATOM 0 HA CYS A 79 5.060 -1.544 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 79 5.907 -1.116 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.461 -0.252 0.215 1.00 0.00 H new ATOM 0 HG CYS A 79 6.822 1.140 -1.251 1.00 0.00 H new ATOM 1184 N MET A 80 7.289 -2.606 2.194 1.00 0.00 N ATOM 1185 CA MET A 80 8.587 -3.249 2.366 1.00 0.00 C ATOM 1186 C MET A 80 8.990 -4.007 1.105 1.00 0.00 C ATOM 1187 O MET A 80 8.195 -4.759 0.540 1.00 0.00 O ATOM 1188 CB MET A 80 8.552 -4.204 3.561 1.00 0.00 C ATOM 1189 CG MET A 80 7.958 -3.586 4.816 1.00 0.00 C ATOM 1190 SD MET A 80 8.239 -4.593 6.285 1.00 0.00 S ATOM 1191 CE MET A 80 6.555 -4.933 6.790 1.00 0.00 C ATOM 0 H MET A 80 6.494 -3.245 2.227 1.00 0.00 H new ATOM 0 HA MET A 80 9.328 -2.472 2.553 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.973 -5.088 3.292 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.566 -4.540 3.777 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.391 -2.597 4.970 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.886 -3.446 4.675 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.369 -4.480 7.764 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.864 -4.516 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.406 -6.011 6.857 1.00 0.00 H new ATOM 1201 N VAL A 81 10.229 -3.804 0.669 1.00 0.00 N ATOM 1202 CA VAL A 81 10.737 -4.469 -0.525 1.00 0.00 C ATOM 1203 C VAL A 81 12.103 -5.096 -0.265 1.00 0.00 C ATOM 1204 O VAL A 81 13.098 -4.392 -0.089 1.00 0.00 O ATOM 1205 CB VAL A 81 10.851 -3.489 -1.708 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.293 -4.221 -2.966 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.528 -2.773 -1.934 1.00 0.00 C ATOM 0 H VAL A 81 10.899 -3.185 1.125 1.00 0.00 H new ATOM 0 HA VAL A 81 10.023 -5.252 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 81 11.606 -2.741 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.368 -3.513 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.265 -4.684 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.563 -4.991 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.626 -2.084 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.751 -3.505 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.258 -2.216 -1.037 1.00 0.00 H new ATOM 1217 N THR A 82 12.144 -6.424 -0.243 1.00 0.00 N ATOM 1218 CA THR A 82 13.387 -7.147 -0.005 1.00 0.00 C ATOM 1219 C THR A 82 13.797 -7.955 -1.231 1.00 0.00 C ATOM 1220 O THR A 82 13.096 -8.879 -1.639 1.00 0.00 O ATOM 1221 CB THR A 82 13.263 -8.095 1.203 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.425 -7.506 2.204 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.631 -8.399 1.795 1.00 0.00 C ATOM 0 H THR A 82 11.330 -7.021 -0.387 1.00 0.00 H new ATOM 0 HA THR A 82 14.152 -6.400 0.206 1.00 0.00 H new ATOM 0 HB THR A 82 12.817 -9.029 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.350 -8.115 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.518 -9.070 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.257 -8.874 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.099 -7.471 2.124 1.00 0.00 H new ATOM 1231 N ASN A 83 14.938 -7.600 -1.813 1.00 0.00 N ATOM 1232 CA ASN A 83 15.441 -8.294 -2.993 1.00 0.00 C ATOM 1233 C ASN A 83 16.890 -8.728 -2.792 1.00 0.00 C ATOM 1234 O ASN A 83 17.658 -8.063 -2.097 1.00 0.00 O ATOM 1235 CB ASN A 83 15.334 -7.392 -4.225 1.00 0.00 C ATOM 1236 CG ASN A 83 15.895 -8.048 -5.472 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.794 -7.510 -6.118 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.365 -9.216 -5.815 1.00 0.00 N ATOM 0 H ASN A 83 15.531 -6.837 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 83 14.831 -9.184 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.289 -7.133 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.867 -6.460 -4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.702 -9.705 -6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.621 -9.624 -5.249 1.00 0.00 H new ATOM 1245 N VAL A 84 17.257 -9.849 -3.405 1.00 0.00 N ATOM 1246 CA VAL A 84 18.613 -10.372 -3.295 1.00 0.00 C ATOM 1247 C VAL A 84 19.645 -9.287 -3.578 1.00 0.00 C ATOM 1248 O VAL A 84 20.745 -9.302 -3.025 1.00 0.00 O ATOM 1249 CB VAL A 84 18.842 -11.548 -4.264 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.660 -11.095 -5.705 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.224 -12.148 -4.056 1.00 0.00 C ATOM 0 H VAL A 84 16.634 -10.412 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 84 18.733 -10.726 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 84 18.101 -12.319 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.826 -11.938 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.647 -10.716 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.377 -10.306 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.369 -12.977 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.982 -11.387 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.313 -12.511 -3.032 1.00 0.00 H new ATOM 1261 N ALA A 85 19.283 -8.345 -4.443 1.00 0.00 N ATOM 1262 CA ALA A 85 20.177 -7.249 -4.798 1.00 0.00 C ATOM 1263 C ALA A 85 20.244 -6.212 -3.682 1.00 0.00 C ATOM 1264 O ALA A 85 21.326 -5.802 -3.266 1.00 0.00 O ATOM 1265 CB ALA A 85 19.726 -6.600 -6.098 1.00 0.00 C ATOM 0 H ALA A 85 18.377 -8.319 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 85 21.177 -7.659 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.402 -5.784 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.737 -7.341 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.715 -6.210 -5.978 1.00 0.00 H new ATOM 1271 N GLY A 86 19.078 -5.790 -3.202 1.00 0.00 N ATOM 1272 CA GLY A 86 19.027 -4.803 -2.139 1.00 0.00 C ATOM 1273 C GLY A 86 17.680 -4.768 -1.444 1.00 0.00 C ATOM 1274 O GLY A 86 16.851 -5.656 -1.638 1.00 0.00 O ATOM 0 H GLY A 86 18.168 -6.114 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.804 -5.022 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.245 -3.818 -2.551 1.00 0.00 H new ATOM 1278 N ASN A 87 17.462 -3.740 -0.630 1.00 0.00 N ATOM 1279 CA ASN A 87 16.207 -3.595 0.098 1.00 0.00 C ATOM 1280 C ASN A 87 15.743 -2.142 0.097 1.00 0.00 C ATOM 1281 O ASN A 87 16.538 -1.225 0.305 1.00 0.00 O ATOM 1282 CB ASN A 87 16.368 -4.090 1.537 1.00 0.00 C ATOM 1283 CG ASN A 87 17.323 -5.263 1.641 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.021 -6.337 0.920 1.00 0.00 O flip ATOM 1285 ND2 ASN A 87 18.319 -5.205 2.361 1.00 0.00 N flip ATOM 0 H ASN A 87 18.138 -2.996 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 87 15.452 -4.199 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.731 -3.273 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.394 -4.382 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 87 18.512 -4.359 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.952 -6.003 2.421 1.00 0.00 H new ATOM 1292 N SER A 88 14.450 -1.939 -0.138 1.00 0.00 N ATOM 1293 CA SER A 88 13.880 -0.597 -0.169 1.00 0.00 C ATOM 1294 C SER A 88 12.497 -0.580 0.476 1.00 0.00 C ATOM 1295 O SER A 88 11.782 -1.581 0.464 1.00 0.00 O ATOM 1296 CB SER A 88 13.789 -0.092 -1.610 1.00 0.00 C ATOM 1297 OG SER A 88 15.079 0.075 -2.174 1.00 0.00 O ATOM 0 H SER A 88 13.778 -2.687 -0.310 1.00 0.00 H new ATOM 0 HA SER A 88 14.536 0.063 0.399 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.215 -0.797 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.253 0.857 -1.633 1.00 0.00 H new ATOM 0 HG SER A 88 15.357 -0.759 -2.607 1.00 0.00 H new ATOM 1303 N ASN A 89 12.128 0.567 1.038 1.00 0.00 N ATOM 1304 CA ASN A 89 10.831 0.716 1.688 1.00 0.00 C ATOM 1305 C ASN A 89 10.381 2.174 1.676 1.00 0.00 C ATOM 1306 O ASN A 89 11.179 3.082 1.906 1.00 0.00 O ATOM 1307 CB ASN A 89 10.898 0.203 3.128 1.00 0.00 C ATOM 1308 CG ASN A 89 11.893 -0.929 3.293 1.00 0.00 C ATOM 1309 OD1 ASN A 89 13.072 -0.787 2.969 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.421 -2.063 3.799 1.00 0.00 N ATOM 0 H ASN A 89 12.708 1.406 1.056 1.00 0.00 H new ATOM 0 HA ASN A 89 10.103 0.125 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.172 1.024 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.910 -0.138 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.043 -2.860 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.436 -2.137 4.054 1.00 0.00 H new ATOM 1317 N ALA A 90 9.098 2.389 1.408 1.00 0.00 N ATOM 1318 CA ALA A 90 8.541 3.735 1.368 1.00 0.00 C ATOM 1319 C ALA A 90 7.270 3.829 2.206 1.00 0.00 C ATOM 1320 O ALA A 90 6.792 2.827 2.739 1.00 0.00 O ATOM 1321 CB ALA A 90 8.259 4.148 -0.069 1.00 0.00 C ATOM 0 H ALA A 90 8.424 1.648 1.215 1.00 0.00 H new ATOM 0 HA ALA A 90 9.277 4.418 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.843 5.156 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.186 4.130 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.545 3.455 -0.513 1.00 0.00 H new ATOM 1327 N SER A 91 6.728 5.037 2.319 1.00 0.00 N ATOM 1328 CA SER A 91 5.515 5.261 3.096 1.00 0.00 C ATOM 1329 C SER A 91 4.487 6.044 2.284 1.00 0.00 C ATOM 1330 O SER A 91 4.769 6.496 1.175 1.00 0.00 O ATOM 1331 CB SER A 91 5.843 6.014 4.387 1.00 0.00 C ATOM 1332 OG SER A 91 6.637 5.221 5.252 1.00 0.00 O ATOM 0 H SER A 91 7.110 5.876 1.882 1.00 0.00 H new ATOM 0 HA SER A 91 5.090 4.290 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.370 6.938 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.919 6.296 4.892 1.00 0.00 H new ATOM 0 HG SER A 91 6.834 5.725 6.069 1.00 0.00 H new ATOM 1338 N ALA A 92 3.293 6.200 2.847 1.00 0.00 N ATOM 1339 CA ALA A 92 2.223 6.930 2.178 1.00 0.00 C ATOM 1340 C ALA A 92 1.043 7.158 3.117 1.00 0.00 C ATOM 1341 O ALA A 92 0.620 6.248 3.830 1.00 0.00 O ATOM 1342 CB ALA A 92 1.771 6.180 0.933 1.00 0.00 C ATOM 0 H ALA A 92 3.043 5.831 3.764 1.00 0.00 H new ATOM 0 HA ALA A 92 2.612 7.904 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.972 6.736 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.612 6.073 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.406 5.193 1.216 1.00 0.00 H new ATOM 1348 N TYR A 93 0.518 8.378 3.114 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.611 8.726 3.968 1.00 0.00 C ATOM 1350 C TYR A 93 -1.935 8.467 3.255 1.00 0.00 C ATOM 1351 O TYR A 93 -2.007 8.496 2.025 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.525 10.194 4.390 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.501 10.569 5.482 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -1.172 10.403 6.822 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -2.752 11.088 5.174 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -2.060 10.743 7.823 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.647 11.433 6.169 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.296 11.258 7.492 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.185 11.599 8.485 1.00 0.00 O ATOM 0 H TYR A 93 0.856 9.143 2.530 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.569 8.096 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.488 10.406 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.707 10.825 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.205 10.001 7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.030 11.224 4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.788 10.606 8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.615 11.837 5.913 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.008 11.947 8.082 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.980 8.216 4.035 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.303 7.952 3.479 1.00 0.00 C ATOM 1371 C LEU A 94 -5.387 8.635 4.307 1.00 0.00 C ATOM 1372 O LEU A 94 -5.704 8.200 5.413 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.563 6.446 3.422 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.980 6.024 3.034 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.145 6.030 1.522 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.301 4.649 3.602 1.00 0.00 C ATOM 0 H LEU A 94 -2.938 8.190 5.054 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.333 8.358 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.866 6.004 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.333 6.021 4.399 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.681 6.743 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.160 5.727 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.958 7.034 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.435 5.334 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.314 4.365 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.594 3.919 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.226 4.678 4.689 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.953 9.707 3.762 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.003 10.450 4.450 1.00 0.00 C ATOM 1390 C ASN A 95 -8.379 9.884 4.113 1.00 0.00 C ATOM 1391 O ASN A 95 -8.729 9.729 2.943 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.941 11.931 4.071 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.982 12.759 4.800 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.664 12.266 5.698 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.107 14.023 4.415 1.00 0.00 N ATOM 0 H ASN A 95 -5.702 10.081 2.847 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.841 10.350 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.948 12.320 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.086 12.034 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.791 14.629 4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.519 14.388 3.666 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.157 9.578 5.147 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.496 9.032 4.961 1.00 0.00 C ATOM 1404 C VAL A 96 -11.550 9.933 5.594 1.00 0.00 C ATOM 1405 O VAL A 96 -11.574 10.118 6.810 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.614 7.620 5.565 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.987 7.031 5.280 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.515 6.716 5.025 1.00 0.00 C ATOM 0 H VAL A 96 -8.883 9.699 6.122 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.669 8.976 3.886 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.494 7.695 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.052 6.033 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.755 7.669 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.140 6.968 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.614 5.722 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.602 6.646 3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.541 7.132 5.285 1.00 0.00 H new ATOM 1418 N SER A 97 -12.421 10.491 4.759 1.00 0.00 N ATOM 1419 CA SER A 97 -13.477 11.377 5.237 1.00 0.00 C ATOM 1420 C SER A 97 -14.844 10.713 5.103 1.00 0.00 C ATOM 1421 O SER A 97 -15.122 10.032 4.116 1.00 0.00 O ATOM 1422 CB SER A 97 -13.458 12.693 4.458 1.00 0.00 C ATOM 1423 OG SER A 97 -13.943 13.762 5.252 1.00 0.00 O ATOM 0 H SER A 97 -12.417 10.346 3.749 1.00 0.00 H new ATOM 0 HA SER A 97 -13.295 11.585 6.291 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.441 12.911 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.068 12.597 3.560 1.00 0.00 H new ATOM 0 HG SER A 97 -13.919 14.592 4.732 1.00 0.00 H new ATOM 1429 N SER A 98 -15.694 10.917 6.104 1.00 0.00 N ATOM 1430 CA SER A 98 -17.032 10.336 6.102 1.00 0.00 C ATOM 1431 C SER A 98 -17.741 10.609 4.778 1.00 0.00 C ATOM 1432 O SER A 98 -17.651 11.706 4.229 1.00 0.00 O ATOM 1433 CB SER A 98 -17.857 10.898 7.261 1.00 0.00 C ATOM 1434 OG SER A 98 -18.959 10.057 7.557 1.00 0.00 O ATOM 0 H SER A 98 -15.480 11.480 6.927 1.00 0.00 H new ATOM 0 HA SER A 98 -16.933 9.258 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.226 11.001 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.215 11.896 7.007 1.00 0.00 H new ATOM 0 HG SER A 98 -19.470 10.437 8.302 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.445 9.602 4.272 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.159 9.752 3.018 1.00 0.00 C ATOM 1442 C GLY A 99 -20.350 10.684 3.136 1.00 0.00 C ATOM 1443 O GLY A 99 -20.894 10.895 4.220 1.00 0.00 O ATOM 0 H GLY A 99 -18.534 8.684 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.477 10.134 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.499 8.774 2.678 1.00 0.00 H new ATOM 1447 N PRO A 100 -20.770 11.260 2.001 1.00 0.00 N ATOM 1448 CA PRO A 100 -21.907 12.184 1.956 1.00 0.00 C ATOM 1449 C PRO A 100 -23.236 11.480 2.206 1.00 0.00 C ATOM 1450 O PRO A 100 -24.265 12.128 2.404 1.00 0.00 O ATOM 1451 CB PRO A 100 -21.857 12.740 0.530 1.00 0.00 C ATOM 1452 CG PRO A 100 -21.161 11.687 -0.262 1.00 0.00 C ATOM 1453 CD PRO A 100 -20.169 11.053 0.672 1.00 0.00 C ATOM 0 HA PRO A 100 -21.840 12.949 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -22.858 12.929 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -21.317 13.686 0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -21.870 10.949 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -20.660 12.118 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.032 9.994 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -19.189 11.524 0.597 1.00 0.00 H new ATOM 1461 N SER A 101 -23.208 10.152 2.197 1.00 0.00 N ATOM 1462 CA SER A 101 -24.413 9.360 2.420 1.00 0.00 C ATOM 1463 C SER A 101 -25.024 9.673 3.782 1.00 0.00 C ATOM 1464 O SER A 101 -24.339 10.147 4.689 1.00 0.00 O ATOM 1465 CB SER A 101 -24.092 7.867 2.324 1.00 0.00 C ATOM 1466 OG SER A 101 -23.850 7.483 0.981 1.00 0.00 O ATOM 0 H SER A 101 -22.365 9.601 2.038 1.00 0.00 H new ATOM 0 HA SER A 101 -25.137 9.620 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.218 7.640 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.922 7.287 2.728 1.00 0.00 H new ATOM 0 HG SER A 101 -23.646 6.525 0.946 1.00 0.00 H new ATOM 1472 N SER A 102 -26.319 9.405 3.918 1.00 0.00 N ATOM 1473 CA SER A 102 -27.025 9.662 5.168 1.00 0.00 C ATOM 1474 C SER A 102 -27.854 8.450 5.582 1.00 0.00 C ATOM 1475 O SER A 102 -27.930 7.458 4.857 1.00 0.00 O ATOM 1476 CB SER A 102 -27.929 10.888 5.025 1.00 0.00 C ATOM 1477 OG SER A 102 -27.210 12.083 5.270 1.00 0.00 O ATOM 0 H SER A 102 -26.900 9.010 3.179 1.00 0.00 H new ATOM 0 HA SER A 102 -26.283 9.855 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.354 10.915 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.763 10.812 5.723 1.00 0.00 H new ATOM 0 HG SER A 102 -27.810 12.852 5.171 1.00 0.00 H new ATOM 1483 N GLY A 103 -28.475 8.538 6.755 1.00 0.00 N ATOM 1484 CA GLY A 103 -29.291 7.442 7.246 1.00 0.00 C ATOM 1485 C GLY A 103 -28.458 6.282 7.753 1.00 0.00 C ATOM 1486 O GLY A 103 -27.373 6.015 7.237 1.00 0.00 O ATOM 0 H GLY A 103 -28.428 9.348 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -29.933 7.803 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -29.945 7.094 6.447 1.00 0.00 H new TER 1490 GLY A 103