USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 910 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 76 SER OG : rot 175:sc= 1.17 USER MOD Set 1.2: A 78 TYR OH : rot 165:sc= -0.0757! USER MOD Single : A 1 SER N :NH3+ -171:sc= -0.167 (180deg=-0.242) USER MOD Single : A 1 SER OG : rot -17:sc= -1.24! USER MOD Single : A 3 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 13 THR OG1 : rot -61:sc= 0.798 USER MOD Single : A 17 THR OG1 : rot -36:sc= 0.816 USER MOD Single : A 18 GLN : amide:sc= -0.502 K(o=-0.5,f=-2!) USER MOD Single : A 27 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 32 SER OG : rot -31:sc= -2.95! USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 41 GLN : amide:sc= -0.445 K(o=-0.44,f=-5.1!) USER MOD Single : A 43 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00595 USER MOD Single : A 50 ASN : amide:sc= -4.98! C(o=-5!,f=-7.4!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.635 F(o=-1.7!,f=-0.64) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc=-0.00409 X(o=-0.0041,f=-0.0029) USER MOD Single : A 67 TYR OH : rot 84:sc= -1.74 USER MOD Single : A 69 THR OG1 : rot 156:sc= 0.718 USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= -0.0341 (180deg=-0.368) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.334) USER MOD Single : A 83 SER OG : rot 87:sc= 0.915 USER MOD Single : A 88 THR OG1 : rot -24:sc= 0.0679! USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0.827 (180deg=0.822) USER MOD Single : A 91 THR OG1 : rot 120:sc= -2.22 USER MOD Single : A 92 SER OG : rot 180:sc= -0.856 USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= -0.0792 (180deg=-0.656) USER MOD Single : A 94 SER OG : rot 95:sc= -0.501! USER MOD Single : A 100 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 101 ASN : amide:sc= -2.25 K(o=-2.2,f=-2.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 115 LYS NZ :NH3+ -134:sc= -0.332 (180deg=-1.09) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.821 -0.151 -3.290 1.00 0.00 N ATOM 2 CA SER A 1 7.341 1.257 -3.202 1.00 0.00 C ATOM 3 C SER A 1 8.530 2.188 -2.947 1.00 0.00 C ATOM 4 O SER A 1 9.641 1.918 -3.358 1.00 0.00 O ATOM 5 CB SER A 1 6.344 1.380 -2.053 1.00 0.00 C ATOM 6 OG SER A 1 7.033 1.233 -0.819 1.00 0.00 O ATOM 0 H1 SER A 1 7.044 -0.763 -3.613 1.00 0.00 H new ATOM 0 H2 SER A 1 8.610 -0.207 -3.966 1.00 0.00 H new ATOM 0 H3 SER A 1 8.144 -0.467 -2.353 1.00 0.00 H new ATOM 0 HA SER A 1 6.857 1.536 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.844 2.348 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.570 0.618 -2.144 1.00 0.00 H new ATOM 0 HG SER A 1 7.907 0.820 -0.980 1.00 0.00 H new ATOM 14 N TRP A 2 8.306 3.282 -2.271 1.00 0.00 N ATOM 15 CA TRP A 2 9.427 4.226 -1.992 1.00 0.00 C ATOM 16 C TRP A 2 9.982 4.746 -3.319 1.00 0.00 C ATOM 17 O TRP A 2 9.837 4.119 -4.346 1.00 0.00 O ATOM 18 CB TRP A 2 10.517 3.504 -1.205 1.00 0.00 C ATOM 19 CG TRP A 2 9.880 2.499 -0.301 1.00 0.00 C ATOM 20 CD1 TRP A 2 9.938 1.156 -0.457 1.00 0.00 C ATOM 21 CD2 TRP A 2 9.074 2.738 0.883 1.00 0.00 C ATOM 22 NE1 TRP A 2 9.233 0.558 0.571 1.00 0.00 N ATOM 23 CE2 TRP A 2 8.679 1.492 1.420 1.00 0.00 C ATOM 24 CE3 TRP A 2 8.655 3.908 1.539 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.897 1.406 2.570 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.865 3.828 2.697 1.00 0.00 C ATOM 27 CH2 TRP A 2 7.488 2.578 3.213 1.00 0.00 C ATOM 0 H TRP A 2 7.398 3.563 -1.901 1.00 0.00 H new ATOM 0 HA TRP A 2 9.069 5.068 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 2 11.210 3.011 -1.887 1.00 0.00 H new ATOM 0 HB3 TRP A 2 11.098 4.220 -0.623 1.00 0.00 H new ATOM 0 HD1 TRP A 2 10.451 0.637 -1.253 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.135 -0.451 0.687 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.942 4.874 1.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.609 0.442 2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 7.546 4.733 3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 2 6.883 2.522 4.106 1.00 0.00 H new ATOM 38 N GLN A 3 10.582 5.904 -3.315 1.00 0.00 N ATOM 39 CA GLN A 3 11.107 6.482 -4.587 1.00 0.00 C ATOM 40 C GLN A 3 12.275 5.655 -5.136 1.00 0.00 C ATOM 41 O GLN A 3 12.116 4.868 -6.047 1.00 0.00 O ATOM 42 CB GLN A 3 11.574 7.915 -4.331 1.00 0.00 C ATOM 43 CG GLN A 3 10.375 8.860 -4.418 1.00 0.00 C ATOM 44 CD GLN A 3 10.423 9.858 -3.261 1.00 0.00 C ATOM 45 OE1 GLN A 3 11.470 10.098 -2.692 1.00 0.00 O ATOM 46 NE2 GLN A 3 9.325 10.456 -2.886 1.00 0.00 N ATOM 0 H GLN A 3 10.732 6.477 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 3 10.307 6.470 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.039 7.988 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.330 8.200 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.386 9.391 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.447 8.290 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.446 10.255 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.346 11.124 -2.116 1.00 0.00 H new ATOM 55 N THR A 4 13.454 5.853 -4.615 1.00 0.00 N ATOM 56 CA THR A 4 14.639 5.105 -5.131 1.00 0.00 C ATOM 57 C THR A 4 14.394 3.594 -5.098 1.00 0.00 C ATOM 58 O THR A 4 15.023 2.846 -5.818 1.00 0.00 O ATOM 59 CB THR A 4 15.859 5.437 -4.274 1.00 0.00 C ATOM 60 OG1 THR A 4 15.749 6.773 -3.795 1.00 0.00 O ATOM 61 CG2 THR A 4 17.127 5.290 -5.119 1.00 0.00 C ATOM 0 H THR A 4 13.650 6.501 -3.853 1.00 0.00 H new ATOM 0 HA THR A 4 14.811 5.404 -6.165 1.00 0.00 H new ATOM 0 HB THR A 4 15.911 4.754 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.530 6.988 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 4 18.000 5.526 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.205 4.265 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.080 5.973 -5.967 1.00 0.00 H new ATOM 69 N TYR A 5 13.500 3.126 -4.272 1.00 0.00 N ATOM 70 CA TYR A 5 13.255 1.655 -4.216 1.00 0.00 C ATOM 71 C TYR A 5 12.202 1.262 -5.259 1.00 0.00 C ATOM 72 O TYR A 5 12.162 0.138 -5.720 1.00 0.00 O ATOM 73 CB TYR A 5 12.773 1.266 -2.817 1.00 0.00 C ATOM 74 CG TYR A 5 13.603 1.980 -1.768 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.876 2.470 -2.093 1.00 0.00 C ATOM 76 CD2 TYR A 5 13.103 2.149 -0.467 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.644 3.126 -1.125 1.00 0.00 C ATOM 78 CE2 TYR A 5 13.874 2.804 0.500 1.00 0.00 C ATOM 79 CZ TYR A 5 15.143 3.292 0.172 1.00 0.00 C ATOM 80 OH TYR A 5 15.901 3.937 1.127 1.00 0.00 O ATOM 0 H TYR A 5 12.933 3.690 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 5 14.184 1.128 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.721 1.526 -2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 5 12.851 0.187 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.264 2.341 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.123 1.773 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.623 3.504 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.489 2.933 1.501 1.00 0.00 H new ATOM 0 HH TYR A 5 15.405 3.968 1.972 1.00 0.00 H new ATOM 90 N VAL A 6 11.357 2.177 -5.638 1.00 0.00 N ATOM 91 CA VAL A 6 10.313 1.863 -6.655 1.00 0.00 C ATOM 92 C VAL A 6 10.999 1.520 -7.982 1.00 0.00 C ATOM 93 O VAL A 6 10.454 0.835 -8.824 1.00 0.00 O ATOM 94 CB VAL A 6 9.409 3.103 -6.833 1.00 0.00 C ATOM 95 CG1 VAL A 6 9.119 3.380 -8.316 1.00 0.00 C ATOM 96 CG2 VAL A 6 8.077 2.881 -6.106 1.00 0.00 C ATOM 0 H VAL A 6 11.343 3.134 -5.286 1.00 0.00 H new ATOM 0 HA VAL A 6 9.708 1.015 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 6 9.936 3.960 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.480 4.259 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.056 3.558 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.614 2.519 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.442 3.758 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.577 2.007 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.264 2.720 -5.044 1.00 0.00 H new ATOM 106 N ASP A 7 12.168 2.041 -8.187 1.00 0.00 N ATOM 107 CA ASP A 7 12.878 1.799 -9.474 1.00 0.00 C ATOM 108 C ASP A 7 12.982 0.302 -9.800 1.00 0.00 C ATOM 109 O ASP A 7 12.623 -0.119 -10.881 1.00 0.00 O ATOM 110 CB ASP A 7 14.276 2.432 -9.419 1.00 0.00 C ATOM 111 CG ASP A 7 15.267 1.481 -8.742 1.00 0.00 C ATOM 112 OD1 ASP A 7 15.156 1.295 -7.541 1.00 0.00 O ATOM 113 OD2 ASP A 7 16.124 0.959 -9.436 1.00 0.00 O ATOM 0 H ASP A 7 12.669 2.627 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 7 12.297 2.263 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.617 2.664 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 7 14.234 3.374 -8.872 1.00 0.00 H new ATOM 118 N THR A 8 13.477 -0.508 -8.904 1.00 0.00 N ATOM 119 CA THR A 8 13.594 -1.963 -9.233 1.00 0.00 C ATOM 120 C THR A 8 13.796 -2.801 -7.966 1.00 0.00 C ATOM 121 O THR A 8 13.439 -3.962 -7.927 1.00 0.00 O ATOM 122 CB THR A 8 14.785 -2.177 -10.172 1.00 0.00 C ATOM 123 OG1 THR A 8 14.954 -3.567 -10.408 1.00 0.00 O ATOM 124 CG2 THR A 8 16.054 -1.611 -9.534 1.00 0.00 C ATOM 0 H THR A 8 13.800 -0.236 -7.976 1.00 0.00 H new ATOM 0 HA THR A 8 12.670 -2.281 -9.715 1.00 0.00 H new ATOM 0 HB THR A 8 14.598 -1.665 -11.116 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.715 -3.707 -11.010 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.899 -1.765 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.925 -0.544 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.244 -2.120 -8.589 1.00 0.00 H new ATOM 132 N ASN A 9 14.371 -2.249 -6.938 1.00 0.00 N ATOM 133 CA ASN A 9 14.583 -3.054 -5.705 1.00 0.00 C ATOM 134 C ASN A 9 13.233 -3.438 -5.100 1.00 0.00 C ATOM 135 O ASN A 9 12.700 -4.482 -5.397 1.00 0.00 O ATOM 136 CB ASN A 9 15.392 -2.241 -4.692 1.00 0.00 C ATOM 137 CG ASN A 9 16.876 -2.593 -4.818 1.00 0.00 C ATOM 138 OD1 ASN A 9 17.468 -3.115 -3.894 1.00 0.00 O ATOM 139 ND2 ASN A 9 17.506 -2.328 -5.930 1.00 0.00 N ATOM 0 H ASN A 9 14.701 -1.285 -6.896 1.00 0.00 H new ATOM 0 HA ASN A 9 15.132 -3.961 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.245 -1.175 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.043 -2.450 -3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.495 -2.559 -6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.009 -1.890 -6.706 1.00 0.00 H new ATOM 146 N LEU A 10 12.681 -2.614 -4.248 1.00 0.00 N ATOM 147 CA LEU A 10 11.369 -2.959 -3.624 1.00 0.00 C ATOM 148 C LEU A 10 10.297 -3.132 -4.703 1.00 0.00 C ATOM 149 O LEU A 10 9.306 -3.805 -4.496 1.00 0.00 O ATOM 150 CB LEU A 10 10.943 -1.849 -2.662 1.00 0.00 C ATOM 151 CG LEU A 10 11.232 -2.284 -1.223 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.991 -1.174 -0.490 1.00 0.00 C ATOM 153 CD2 LEU A 10 9.912 -2.558 -0.500 1.00 0.00 C ATOM 0 H LEU A 10 13.080 -1.721 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 10 11.480 -3.895 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.481 -0.929 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.881 -1.636 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 10 11.839 -3.189 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.195 -1.487 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.932 -0.977 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.387 -0.267 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.116 -2.868 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.307 -1.651 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.371 -3.350 -1.018 1.00 0.00 H new ATOM 165 N VAL A 11 10.475 -2.538 -5.851 1.00 0.00 N ATOM 166 CA VAL A 11 9.448 -2.690 -6.922 1.00 0.00 C ATOM 167 C VAL A 11 9.786 -3.921 -7.765 1.00 0.00 C ATOM 168 O VAL A 11 9.012 -4.854 -7.849 1.00 0.00 O ATOM 169 CB VAL A 11 9.413 -1.416 -7.799 1.00 0.00 C ATOM 170 CG1 VAL A 11 9.123 -1.763 -9.265 1.00 0.00 C ATOM 171 CG2 VAL A 11 8.305 -0.494 -7.288 1.00 0.00 C ATOM 0 H VAL A 11 11.279 -1.959 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 11 8.462 -2.824 -6.477 1.00 0.00 H new ATOM 0 HB VAL A 11 10.386 -0.928 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.104 -0.849 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.902 -2.425 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.157 -2.262 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.271 0.408 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.346 -1.009 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.507 -0.223 -6.252 1.00 0.00 H new ATOM 181 N GLY A 12 10.935 -3.931 -8.384 1.00 0.00 N ATOM 182 CA GLY A 12 11.318 -5.109 -9.210 1.00 0.00 C ATOM 183 C GLY A 12 10.960 -6.373 -8.435 1.00 0.00 C ATOM 184 O GLY A 12 10.512 -7.353 -8.997 1.00 0.00 O ATOM 0 H GLY A 12 11.622 -3.178 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.795 -5.089 -10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.385 -5.088 -9.430 1.00 0.00 H new ATOM 188 N THR A 13 11.133 -6.337 -7.139 1.00 0.00 N ATOM 189 CA THR A 13 10.788 -7.515 -6.297 1.00 0.00 C ATOM 190 C THR A 13 11.541 -7.451 -4.972 1.00 0.00 C ATOM 191 O THR A 13 12.072 -8.435 -4.498 1.00 0.00 O ATOM 192 CB THR A 13 11.178 -8.794 -7.012 1.00 0.00 C ATOM 193 OG1 THR A 13 11.282 -9.860 -6.078 1.00 0.00 O ATOM 194 CG2 THR A 13 12.521 -8.581 -7.715 1.00 0.00 C ATOM 0 H THR A 13 11.501 -5.535 -6.627 1.00 0.00 H new ATOM 0 HA THR A 13 9.714 -7.504 -6.113 1.00 0.00 H new ATOM 0 HB THR A 13 10.416 -9.050 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.973 -9.649 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.810 -9.496 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.429 -7.770 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.282 -8.326 -6.977 1.00 0.00 H new ATOM 202 N GLY A 14 11.554 -6.323 -4.337 1.00 0.00 N ATOM 203 CA GLY A 14 12.225 -6.245 -3.015 1.00 0.00 C ATOM 204 C GLY A 14 11.148 -6.519 -1.972 1.00 0.00 C ATOM 205 O GLY A 14 11.245 -6.117 -0.829 1.00 0.00 O ATOM 0 H GLY A 14 11.133 -5.455 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.030 -6.976 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.672 -5.263 -2.863 1.00 0.00 H new ATOM 209 N ALA A 15 10.105 -7.193 -2.395 1.00 0.00 N ATOM 210 CA ALA A 15 8.965 -7.508 -1.497 1.00 0.00 C ATOM 211 C ALA A 15 7.745 -7.672 -2.394 1.00 0.00 C ATOM 212 O ALA A 15 6.827 -8.412 -2.102 1.00 0.00 O ATOM 213 CB ALA A 15 8.732 -6.358 -0.515 1.00 0.00 C ATOM 0 H ALA A 15 10.001 -7.543 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 15 9.160 -8.409 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.894 -6.601 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.628 -6.206 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.508 -5.446 -1.069 1.00 0.00 H new ATOM 219 N VAL A 16 7.752 -6.984 -3.506 1.00 0.00 N ATOM 220 CA VAL A 16 6.628 -7.081 -4.465 1.00 0.00 C ATOM 221 C VAL A 16 7.187 -6.876 -5.874 1.00 0.00 C ATOM 222 O VAL A 16 8.030 -6.030 -6.092 1.00 0.00 O ATOM 223 CB VAL A 16 5.600 -5.993 -4.153 1.00 0.00 C ATOM 224 CG1 VAL A 16 4.921 -6.299 -2.816 1.00 0.00 C ATOM 225 CG2 VAL A 16 6.309 -4.639 -4.065 1.00 0.00 C ATOM 0 H VAL A 16 8.502 -6.353 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 16 6.145 -8.055 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 16 4.849 -5.964 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.188 -5.523 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.420 -7.265 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.671 -6.327 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.580 -3.860 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.058 -4.671 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.795 -4.420 -5.016 1.00 0.00 H new ATOM 235 N THR A 17 6.726 -7.629 -6.836 1.00 0.00 N ATOM 236 CA THR A 17 7.247 -7.449 -8.224 1.00 0.00 C ATOM 237 C THR A 17 6.563 -6.237 -8.863 1.00 0.00 C ATOM 238 O THR A 17 6.746 -5.948 -10.029 1.00 0.00 O ATOM 239 CB THR A 17 6.951 -8.699 -9.054 1.00 0.00 C ATOM 240 OG1 THR A 17 7.438 -8.512 -10.375 1.00 0.00 O ATOM 241 CG2 THR A 17 5.442 -8.945 -9.094 1.00 0.00 C ATOM 0 H THR A 17 6.018 -8.355 -6.724 1.00 0.00 H new ATOM 0 HA THR A 17 8.325 -7.289 -8.191 1.00 0.00 H new ATOM 0 HB THR A 17 7.443 -9.560 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.307 -7.579 -10.643 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.234 -9.836 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.070 -9.088 -8.080 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.945 -8.086 -9.545 1.00 0.00 H new ATOM 249 N GLN A 18 5.786 -5.523 -8.098 1.00 0.00 N ATOM 250 CA GLN A 18 5.091 -4.318 -8.633 1.00 0.00 C ATOM 251 C GLN A 18 4.673 -3.441 -7.456 1.00 0.00 C ATOM 252 O GLN A 18 4.504 -3.917 -6.351 1.00 0.00 O ATOM 253 CB GLN A 18 3.844 -4.729 -9.417 1.00 0.00 C ATOM 254 CG GLN A 18 4.234 -5.652 -10.572 1.00 0.00 C ATOM 255 CD GLN A 18 2.988 -5.999 -11.389 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.651 -5.308 -12.329 1.00 0.00 O ATOM 257 NE2 GLN A 18 2.283 -7.049 -11.065 1.00 0.00 N ATOM 0 H GLN A 18 5.601 -5.724 -7.115 1.00 0.00 H new ATOM 0 HA GLN A 18 5.763 -3.776 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.140 -5.236 -8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.338 -3.844 -9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.974 -5.165 -11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.694 -6.562 -10.186 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.566 -7.629 -10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.449 -7.289 -11.601 1.00 0.00 H new ATOM 266 N ALA A 19 4.501 -2.168 -7.672 1.00 0.00 N ATOM 267 CA ALA A 19 4.095 -1.287 -6.541 1.00 0.00 C ATOM 268 C ALA A 19 3.685 0.088 -7.062 1.00 0.00 C ATOM 269 O ALA A 19 3.786 0.378 -8.238 1.00 0.00 O ATOM 270 CB ALA A 19 5.269 -1.131 -5.574 1.00 0.00 C ATOM 0 H ALA A 19 4.622 -1.702 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 19 3.247 -1.739 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.975 -0.487 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.556 -2.110 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.115 -0.685 -6.097 1.00 0.00 H new ATOM 276 N ALA A 20 3.226 0.939 -6.186 1.00 0.00 N ATOM 277 CA ALA A 20 2.808 2.301 -6.611 1.00 0.00 C ATOM 278 C ALA A 20 2.670 3.191 -5.378 1.00 0.00 C ATOM 279 O ALA A 20 1.812 2.981 -4.545 1.00 0.00 O ATOM 280 CB ALA A 20 1.456 2.222 -7.330 1.00 0.00 C ATOM 0 H ALA A 20 3.123 0.747 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 20 3.555 2.717 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.150 3.221 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.547 1.581 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.708 1.808 -6.654 1.00 0.00 H new ATOM 286 N ILE A 21 3.498 4.187 -5.251 1.00 0.00 N ATOM 287 CA ILE A 21 3.393 5.079 -4.067 1.00 0.00 C ATOM 288 C ILE A 21 2.258 6.074 -4.298 1.00 0.00 C ATOM 289 O ILE A 21 2.475 7.206 -4.682 1.00 0.00 O ATOM 290 CB ILE A 21 4.707 5.831 -3.867 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.855 4.824 -3.816 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.653 6.610 -2.550 1.00 0.00 C ATOM 293 CD1 ILE A 21 7.156 5.550 -3.488 1.00 0.00 C ATOM 0 H ILE A 21 4.239 4.421 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 21 3.188 4.486 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 21 4.863 6.526 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.651 4.063 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.944 4.310 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.591 7.147 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.828 7.322 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.502 5.916 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.975 4.831 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.361 6.295 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.063 6.043 -2.521 1.00 0.00 H new ATOM 305 N LEU A 22 1.044 5.653 -4.070 1.00 0.00 N ATOM 306 CA LEU A 22 -0.113 6.570 -4.280 1.00 0.00 C ATOM 307 C LEU A 22 0.041 7.784 -3.358 1.00 0.00 C ATOM 308 O LEU A 22 1.141 8.184 -3.027 1.00 0.00 O ATOM 309 CB LEU A 22 -1.430 5.838 -3.969 1.00 0.00 C ATOM 310 CG LEU A 22 -1.307 4.345 -4.311 1.00 0.00 C ATOM 311 CD1 LEU A 22 -2.697 3.702 -4.339 1.00 0.00 C ATOM 312 CD2 LEU A 22 -0.648 4.173 -5.684 1.00 0.00 C ATOM 0 H LEU A 22 0.803 4.716 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.135 6.898 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.679 5.957 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.244 6.283 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.694 3.862 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.603 2.644 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.167 3.810 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.311 4.195 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.565 3.112 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.256 4.665 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.346 4.620 -5.669 1.00 0.00 H new ATOM 324 N GLY A 23 -1.042 8.379 -2.941 1.00 0.00 N ATOM 325 CA GLY A 23 -0.938 9.567 -2.043 1.00 0.00 C ATOM 326 C GLY A 23 -2.242 9.741 -1.263 1.00 0.00 C ATOM 327 O GLY A 23 -3.322 9.656 -1.814 1.00 0.00 O ATOM 0 H GLY A 23 -1.992 8.097 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.104 9.441 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.732 10.462 -2.630 1.00 0.00 H new ATOM 331 N LEU A 24 -2.152 9.984 0.016 1.00 0.00 N ATOM 332 CA LEU A 24 -3.387 10.163 0.831 1.00 0.00 C ATOM 333 C LEU A 24 -3.918 11.588 0.651 1.00 0.00 C ATOM 334 O LEU A 24 -4.872 11.988 1.288 1.00 0.00 O ATOM 335 CB LEU A 24 -3.065 9.922 2.307 1.00 0.00 C ATOM 336 CG LEU A 24 -1.810 10.707 2.693 1.00 0.00 C ATOM 337 CD1 LEU A 24 -2.135 11.655 3.846 1.00 0.00 C ATOM 338 CD2 LEU A 24 -0.714 9.732 3.131 1.00 0.00 C ATOM 0 H LEU A 24 -1.276 10.066 0.532 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.143 9.450 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.905 10.232 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.911 8.858 2.487 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.465 11.283 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.240 12.214 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.916 12.349 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.481 11.079 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.181 10.290 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.061 9.156 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.481 9.054 2.310 1.00 0.00 H new ATOM 350 N ASP A 25 -3.309 12.357 -0.211 1.00 0.00 N ATOM 351 CA ASP A 25 -3.781 13.754 -0.425 1.00 0.00 C ATOM 352 C ASP A 25 -4.353 13.891 -1.838 1.00 0.00 C ATOM 353 O ASP A 25 -5.016 14.857 -2.159 1.00 0.00 O ATOM 354 CB ASP A 25 -2.606 14.719 -0.256 1.00 0.00 C ATOM 355 CG ASP A 25 -1.357 14.118 -0.906 1.00 0.00 C ATOM 356 OD1 ASP A 25 -0.682 13.348 -0.243 1.00 0.00 O ATOM 357 OD2 ASP A 25 -1.098 14.439 -2.054 1.00 0.00 O ATOM 0 H ASP A 25 -2.506 12.078 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.556 13.991 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.841 15.680 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.424 14.906 0.802 1.00 0.00 H new ATOM 362 N GLY A 26 -4.099 12.931 -2.686 1.00 0.00 N ATOM 363 CA GLY A 26 -4.626 13.008 -4.078 1.00 0.00 C ATOM 364 C GLY A 26 -3.546 13.577 -4.999 1.00 0.00 C ATOM 365 O GLY A 26 -3.536 14.752 -5.307 1.00 0.00 O ATOM 0 H GLY A 26 -3.550 12.098 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.927 12.018 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.514 13.639 -4.108 1.00 0.00 H new ATOM 369 N ASN A 27 -2.631 12.755 -5.435 1.00 0.00 N ATOM 370 CA ASN A 27 -1.549 13.256 -6.328 1.00 0.00 C ATOM 371 C ASN A 27 -0.451 12.190 -6.448 1.00 0.00 C ATOM 372 O ASN A 27 0.695 12.461 -6.156 1.00 0.00 O ATOM 373 CB ASN A 27 -0.950 14.526 -5.722 1.00 0.00 C ATOM 374 CG ASN A 27 -1.075 15.681 -6.719 1.00 0.00 C ATOM 375 OD1 ASN A 27 -1.929 15.665 -7.583 1.00 0.00 O ATOM 376 ND2 ASN A 27 -0.254 16.692 -6.633 1.00 0.00 N ATOM 0 H ASN A 27 -2.586 11.761 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.958 13.471 -7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.465 14.776 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.098 14.362 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.330 17.468 -7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.463 16.706 -5.908 1.00 0.00 H new ATOM 383 N THR A 28 -0.805 10.987 -6.862 1.00 0.00 N ATOM 384 CA THR A 28 0.197 9.873 -7.002 1.00 0.00 C ATOM 385 C THR A 28 1.624 10.418 -7.112 1.00 0.00 C ATOM 386 O THR A 28 1.903 11.309 -7.891 1.00 0.00 O ATOM 387 CB THR A 28 -0.127 9.058 -8.257 1.00 0.00 C ATOM 388 OG1 THR A 28 -1.332 8.332 -8.049 1.00 0.00 O ATOM 389 CG2 THR A 28 1.016 8.084 -8.545 1.00 0.00 C ATOM 0 H THR A 28 -1.760 10.729 -7.112 1.00 0.00 H new ATOM 0 HA THR A 28 0.137 9.245 -6.113 1.00 0.00 H new ATOM 0 HB THR A 28 -0.249 9.730 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.543 7.811 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.784 7.505 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.938 8.642 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.142 7.410 -7.698 1.00 0.00 H new ATOM 397 N TRP A 29 2.527 9.892 -6.329 1.00 0.00 N ATOM 398 CA TRP A 29 3.934 10.381 -6.377 1.00 0.00 C ATOM 399 C TRP A 29 4.712 9.590 -7.428 1.00 0.00 C ATOM 400 O TRP A 29 5.444 10.149 -8.222 1.00 0.00 O ATOM 401 CB TRP A 29 4.590 10.189 -5.007 1.00 0.00 C ATOM 402 CG TRP A 29 3.950 11.100 -4.005 1.00 0.00 C ATOM 403 CD1 TRP A 29 2.699 11.610 -4.101 1.00 0.00 C ATOM 404 CD2 TRP A 29 4.506 11.617 -2.760 1.00 0.00 C ATOM 405 NE1 TRP A 29 2.452 12.402 -2.995 1.00 0.00 N ATOM 406 CE2 TRP A 29 3.534 12.438 -2.140 1.00 0.00 C ATOM 407 CE3 TRP A 29 5.744 11.455 -2.112 1.00 0.00 C ATOM 408 CZ2 TRP A 29 3.780 13.075 -0.925 1.00 0.00 C ATOM 409 CZ3 TRP A 29 5.995 12.096 -0.887 1.00 0.00 C ATOM 410 CH2 TRP A 29 5.014 12.904 -0.295 1.00 0.00 C ATOM 0 H TRP A 29 2.350 9.144 -5.658 1.00 0.00 H new ATOM 0 HA TRP A 29 3.941 11.439 -6.638 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.488 9.152 -4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.658 10.398 -5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.007 11.428 -4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.577 12.899 -2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.506 10.834 -2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.021 13.697 -0.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.949 11.965 -0.399 1.00 0.00 H new ATOM 0 HH2 TRP A 29 5.213 13.393 0.647 1.00 0.00 H new ATOM 421 N ALA A 30 4.564 8.294 -7.442 1.00 0.00 N ATOM 422 CA ALA A 30 5.301 7.476 -8.445 1.00 0.00 C ATOM 423 C ALA A 30 4.714 6.063 -8.496 1.00 0.00 C ATOM 424 O ALA A 30 3.989 5.644 -7.615 1.00 0.00 O ATOM 425 CB ALA A 30 6.778 7.396 -8.050 1.00 0.00 C ATOM 0 H ALA A 30 3.967 7.768 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 30 5.207 7.941 -9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.319 6.798 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.201 8.400 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.867 6.933 -7.067 1.00 0.00 H new ATOM 431 N THR A 31 5.032 5.324 -9.525 1.00 0.00 N ATOM 432 CA THR A 31 4.510 3.933 -9.649 1.00 0.00 C ATOM 433 C THR A 31 5.428 3.141 -10.583 1.00 0.00 C ATOM 434 O THR A 31 6.377 3.674 -11.123 1.00 0.00 O ATOM 435 CB THR A 31 3.090 3.959 -10.223 1.00 0.00 C ATOM 436 OG1 THR A 31 2.667 2.630 -10.496 1.00 0.00 O ATOM 437 CG2 THR A 31 3.071 4.776 -11.515 1.00 0.00 C ATOM 0 H THR A 31 5.635 5.627 -10.290 1.00 0.00 H new ATOM 0 HA THR A 31 4.485 3.462 -8.666 1.00 0.00 H new ATOM 0 HB THR A 31 2.416 4.416 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.758 2.645 -10.862 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.059 4.792 -11.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.394 5.796 -11.306 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.746 4.323 -12.242 1.00 0.00 H new ATOM 445 N SER A 32 5.162 1.876 -10.779 1.00 0.00 N ATOM 446 CA SER A 32 6.040 1.073 -11.680 1.00 0.00 C ATOM 447 C SER A 32 5.378 -0.265 -12.015 1.00 0.00 C ATOM 448 O SER A 32 5.157 -1.089 -11.149 1.00 0.00 O ATOM 449 CB SER A 32 7.371 0.806 -10.982 1.00 0.00 C ATOM 450 OG SER A 32 7.903 2.033 -10.509 1.00 0.00 O ATOM 0 H SER A 32 4.383 1.369 -10.359 1.00 0.00 H new ATOM 0 HA SER A 32 6.203 1.632 -12.601 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.228 0.114 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.070 0.335 -11.673 1.00 0.00 H new ATOM 0 HG SER A 32 7.630 2.760 -11.107 1.00 0.00 H new ATOM 456 N ALA A 33 5.088 -0.487 -13.272 1.00 0.00 N ATOM 457 CA ALA A 33 4.461 -1.775 -13.701 1.00 0.00 C ATOM 458 C ALA A 33 3.511 -2.295 -12.621 1.00 0.00 C ATOM 459 O ALA A 33 3.906 -3.029 -11.736 1.00 0.00 O ATOM 460 CB ALA A 33 5.560 -2.809 -13.948 1.00 0.00 C ATOM 0 H ALA A 33 5.261 0.176 -14.028 1.00 0.00 H new ATOM 0 HA ALA A 33 3.893 -1.605 -14.615 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.110 -3.751 -14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.229 -2.449 -14.730 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.126 -2.965 -13.030 1.00 0.00 H new ATOM 466 N GLY A 34 2.263 -1.927 -12.685 1.00 0.00 N ATOM 467 CA GLY A 34 1.298 -2.411 -11.660 1.00 0.00 C ATOM 468 C GLY A 34 -0.122 -2.341 -12.220 1.00 0.00 C ATOM 469 O GLY A 34 -0.653 -3.312 -12.722 1.00 0.00 O ATOM 0 H GLY A 34 1.870 -1.314 -13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.538 -3.436 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.375 -1.804 -10.758 1.00 0.00 H new ATOM 473 N PHE A 35 -0.743 -1.197 -12.131 1.00 0.00 N ATOM 474 CA PHE A 35 -2.132 -1.061 -12.648 1.00 0.00 C ATOM 475 C PHE A 35 -2.554 0.408 -12.587 1.00 0.00 C ATOM 476 O PHE A 35 -1.996 1.193 -11.848 1.00 0.00 O ATOM 477 CB PHE A 35 -3.078 -1.889 -11.776 1.00 0.00 C ATOM 478 CG PHE A 35 -3.002 -1.393 -10.352 1.00 0.00 C ATOM 479 CD1 PHE A 35 -1.811 -1.525 -9.629 1.00 0.00 C ATOM 480 CD2 PHE A 35 -4.118 -0.791 -9.756 1.00 0.00 C ATOM 481 CE1 PHE A 35 -1.735 -1.061 -8.313 1.00 0.00 C ATOM 482 CE2 PHE A 35 -4.040 -0.325 -8.436 1.00 0.00 C ATOM 483 CZ PHE A 35 -2.846 -0.461 -7.716 1.00 0.00 C ATOM 0 H PHE A 35 -0.347 -0.350 -11.722 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.174 -1.414 -13.678 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.099 -1.808 -12.148 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.805 -2.943 -11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.949 -1.986 -10.089 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.037 -0.686 -10.313 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.815 -1.167 -7.757 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.900 0.138 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.785 -0.102 -6.699 1.00 0.00 H new ATOM 493 N ALA A 36 -3.543 0.782 -13.350 1.00 0.00 N ATOM 494 CA ALA A 36 -4.007 2.196 -13.322 1.00 0.00 C ATOM 495 C ALA A 36 -5.144 2.320 -12.309 1.00 0.00 C ATOM 496 O ALA A 36 -6.193 1.728 -12.463 1.00 0.00 O ATOM 497 CB ALA A 36 -4.509 2.602 -14.709 1.00 0.00 C ATOM 0 H ALA A 36 -4.049 0.170 -13.991 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.183 2.850 -13.038 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.848 3.638 -14.685 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.700 2.502 -15.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.337 1.956 -15.000 1.00 0.00 H new ATOM 503 N VAL A 37 -4.944 3.078 -11.267 1.00 0.00 N ATOM 504 CA VAL A 37 -6.013 3.228 -10.243 1.00 0.00 C ATOM 505 C VAL A 37 -7.057 4.232 -10.735 1.00 0.00 C ATOM 506 O VAL A 37 -6.811 5.420 -10.795 1.00 0.00 O ATOM 507 CB VAL A 37 -5.396 3.729 -8.935 1.00 0.00 C ATOM 508 CG1 VAL A 37 -6.498 3.913 -7.891 1.00 0.00 C ATOM 509 CG2 VAL A 37 -4.379 2.704 -8.425 1.00 0.00 C ATOM 0 H VAL A 37 -4.087 3.599 -11.081 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.493 2.264 -10.073 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.896 4.682 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.060 4.270 -6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.224 4.641 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.996 2.960 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.939 3.060 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.879 1.752 -8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.594 2.570 -9.169 1.00 0.00 H new ATOM 519 N THR A 38 -8.222 3.763 -11.090 1.00 0.00 N ATOM 520 CA THR A 38 -9.280 4.691 -11.579 1.00 0.00 C ATOM 521 C THR A 38 -9.400 5.879 -10.614 1.00 0.00 C ATOM 522 O THR A 38 -9.337 5.703 -9.413 1.00 0.00 O ATOM 523 CB THR A 38 -10.618 3.949 -11.644 1.00 0.00 C ATOM 524 OG1 THR A 38 -10.428 2.687 -12.269 1.00 0.00 O ATOM 525 CG2 THR A 38 -11.622 4.774 -12.452 1.00 0.00 C ATOM 0 H THR A 38 -8.486 2.778 -11.063 1.00 0.00 H new ATOM 0 HA THR A 38 -9.017 5.054 -12.573 1.00 0.00 H new ATOM 0 HB THR A 38 -11.001 3.801 -10.634 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.283 2.210 -12.310 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.574 4.245 -12.498 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.767 5.742 -11.972 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.241 4.923 -13.462 1.00 0.00 H new ATOM 533 N PRO A 39 -9.568 7.055 -11.167 1.00 0.00 N ATOM 534 CA PRO A 39 -9.696 8.288 -10.366 1.00 0.00 C ATOM 535 C PRO A 39 -10.960 8.234 -9.502 1.00 0.00 C ATOM 536 O PRO A 39 -11.815 7.391 -9.691 1.00 0.00 O ATOM 537 CB PRO A 39 -9.804 9.418 -11.399 1.00 0.00 C ATOM 538 CG PRO A 39 -9.785 8.773 -12.809 1.00 0.00 C ATOM 539 CD PRO A 39 -9.640 7.253 -12.626 1.00 0.00 C ATOM 0 HA PRO A 39 -8.854 8.428 -9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.723 9.985 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.976 10.118 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.702 9.007 -13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.958 9.168 -13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.488 6.720 -13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.744 6.879 -13.121 1.00 0.00 H new ATOM 547 N ALA A 40 -11.081 9.137 -8.560 1.00 0.00 N ATOM 548 CA ALA A 40 -12.287 9.164 -7.676 1.00 0.00 C ATOM 549 C ALA A 40 -12.133 8.152 -6.536 1.00 0.00 C ATOM 550 O ALA A 40 -12.478 8.427 -5.403 1.00 0.00 O ATOM 551 CB ALA A 40 -13.537 8.828 -8.493 1.00 0.00 C ATOM 0 H ALA A 40 -10.390 9.862 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.387 10.163 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.412 8.849 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.659 9.561 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.431 7.834 -8.927 1.00 0.00 H new ATOM 557 N GLN A 41 -11.625 6.984 -6.820 1.00 0.00 N ATOM 558 CA GLN A 41 -11.460 5.963 -5.745 1.00 0.00 C ATOM 559 C GLN A 41 -10.365 6.408 -4.773 1.00 0.00 C ATOM 560 O GLN A 41 -10.404 6.102 -3.598 1.00 0.00 O ATOM 561 CB GLN A 41 -11.066 4.625 -6.374 1.00 0.00 C ATOM 562 CG GLN A 41 -12.325 3.846 -6.758 1.00 0.00 C ATOM 563 CD GLN A 41 -12.049 2.348 -6.644 1.00 0.00 C ATOM 564 OE1 GLN A 41 -11.110 1.940 -5.989 1.00 0.00 O ATOM 565 NE2 GLN A 41 -12.833 1.504 -7.258 1.00 0.00 N ATOM 0 H GLN A 41 -11.317 6.692 -7.748 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.400 5.853 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.448 4.795 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.467 4.044 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.152 4.125 -6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.624 4.095 -7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.621 1.847 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.658 0.502 -7.188 1.00 0.00 H new ATOM 574 N GLY A 42 -9.386 7.122 -5.255 1.00 0.00 N ATOM 575 CA GLY A 42 -8.285 7.580 -4.361 1.00 0.00 C ATOM 576 C GLY A 42 -8.868 8.292 -3.138 1.00 0.00 C ATOM 577 O GLY A 42 -8.379 8.152 -2.035 1.00 0.00 O ATOM 0 H GLY A 42 -9.300 7.409 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.684 6.728 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.622 8.254 -4.903 1.00 0.00 H new ATOM 581 N GLN A 43 -9.906 9.060 -3.324 1.00 0.00 N ATOM 582 CA GLN A 43 -10.514 9.786 -2.172 1.00 0.00 C ATOM 583 C GLN A 43 -11.067 8.781 -1.154 1.00 0.00 C ATOM 584 O GLN A 43 -11.015 9.004 0.039 1.00 0.00 O ATOM 585 CB GLN A 43 -11.650 10.677 -2.676 1.00 0.00 C ATOM 586 CG GLN A 43 -11.699 11.960 -1.846 1.00 0.00 C ATOM 587 CD GLN A 43 -13.136 12.479 -1.791 1.00 0.00 C ATOM 588 OE1 GLN A 43 -14.031 11.886 -2.361 1.00 0.00 O ATOM 589 NE2 GLN A 43 -13.400 13.568 -1.122 1.00 0.00 N ATOM 0 H GLN A 43 -10.360 9.217 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.752 10.399 -1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.498 10.918 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.600 10.148 -2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.332 11.767 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.045 12.714 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.650 14.067 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.356 13.920 -1.078 1.00 0.00 H new ATOM 598 N THR A 44 -11.596 7.681 -1.614 1.00 0.00 N ATOM 599 CA THR A 44 -12.153 6.670 -0.670 1.00 0.00 C ATOM 600 C THR A 44 -11.073 6.242 0.328 1.00 0.00 C ATOM 601 O THR A 44 -11.346 6.010 1.491 1.00 0.00 O ATOM 602 CB THR A 44 -12.630 5.447 -1.457 1.00 0.00 C ATOM 603 OG1 THR A 44 -13.679 5.830 -2.337 1.00 0.00 O ATOM 604 CG2 THR A 44 -13.138 4.380 -0.487 1.00 0.00 C ATOM 0 H THR A 44 -11.667 7.438 -2.602 1.00 0.00 H new ATOM 0 HA THR A 44 -12.991 7.108 -0.128 1.00 0.00 H new ATOM 0 HB THR A 44 -11.800 5.042 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.984 5.048 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.477 3.510 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.332 4.086 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.967 4.782 0.095 1.00 0.00 H new ATOM 612 N LEU A 45 -9.851 6.130 -0.115 1.00 0.00 N ATOM 613 CA LEU A 45 -8.757 5.711 0.809 1.00 0.00 C ATOM 614 C LEU A 45 -8.555 6.777 1.892 1.00 0.00 C ATOM 615 O LEU A 45 -8.321 6.469 3.044 1.00 0.00 O ATOM 616 CB LEU A 45 -7.461 5.538 0.014 1.00 0.00 C ATOM 617 CG LEU A 45 -6.714 4.300 0.511 1.00 0.00 C ATOM 618 CD1 LEU A 45 -7.303 3.049 -0.143 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.234 4.415 0.139 1.00 0.00 C ATOM 0 H LEU A 45 -9.562 6.310 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.026 4.766 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.685 5.438 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.834 6.422 0.125 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.816 4.227 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.770 2.167 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.358 2.964 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.202 3.123 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.700 3.533 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.136 4.488 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.810 5.306 0.603 1.00 0.00 H new ATOM 631 N ALA A 46 -8.637 8.028 1.529 1.00 0.00 N ATOM 632 CA ALA A 46 -8.441 9.112 2.536 1.00 0.00 C ATOM 633 C ALA A 46 -9.630 9.151 3.501 1.00 0.00 C ATOM 634 O ALA A 46 -9.510 9.589 4.628 1.00 0.00 O ATOM 635 CB ALA A 46 -8.325 10.457 1.818 1.00 0.00 C ATOM 0 H ALA A 46 -8.831 8.347 0.580 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.529 8.916 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.182 11.250 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.474 10.434 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.237 10.647 1.252 1.00 0.00 H new ATOM 641 N SER A 47 -10.776 8.701 3.071 1.00 0.00 N ATOM 642 CA SER A 47 -11.965 8.722 3.969 1.00 0.00 C ATOM 643 C SER A 47 -12.016 7.432 4.791 1.00 0.00 C ATOM 644 O SER A 47 -12.687 7.354 5.801 1.00 0.00 O ATOM 645 CB SER A 47 -13.237 8.840 3.130 1.00 0.00 C ATOM 646 OG SER A 47 -14.334 8.316 3.866 1.00 0.00 O ATOM 0 H SER A 47 -10.941 8.320 2.139 1.00 0.00 H new ATOM 0 HA SER A 47 -11.891 9.576 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.422 9.883 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.120 8.296 2.193 1.00 0.00 H new ATOM 0 HG SER A 47 -15.152 8.391 3.332 1.00 0.00 H new ATOM 652 N ALA A 48 -11.315 6.418 4.367 1.00 0.00 N ATOM 653 CA ALA A 48 -11.327 5.137 5.127 1.00 0.00 C ATOM 654 C ALA A 48 -10.514 5.297 6.415 1.00 0.00 C ATOM 655 O ALA A 48 -10.789 4.666 7.416 1.00 0.00 O ATOM 656 CB ALA A 48 -10.713 4.029 4.268 1.00 0.00 C ATOM 0 H ALA A 48 -10.735 6.421 3.528 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.354 4.874 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.721 3.091 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.294 3.914 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.686 4.292 4.015 1.00 0.00 H new ATOM 662 N PHE A 49 -9.512 6.132 6.395 1.00 0.00 N ATOM 663 CA PHE A 49 -8.680 6.326 7.618 1.00 0.00 C ATOM 664 C PHE A 49 -9.573 6.712 8.801 1.00 0.00 C ATOM 665 O PHE A 49 -9.455 6.167 9.880 1.00 0.00 O ATOM 666 CB PHE A 49 -7.652 7.434 7.370 1.00 0.00 C ATOM 667 CG PHE A 49 -6.778 7.070 6.190 1.00 0.00 C ATOM 668 CD1 PHE A 49 -6.614 5.729 5.824 1.00 0.00 C ATOM 669 CD2 PHE A 49 -6.130 8.077 5.464 1.00 0.00 C ATOM 670 CE1 PHE A 49 -5.803 5.395 4.733 1.00 0.00 C ATOM 671 CE2 PHE A 49 -5.319 7.744 4.373 1.00 0.00 C ATOM 672 CZ PHE A 49 -5.155 6.402 4.007 1.00 0.00 C ATOM 0 H PHE A 49 -9.233 6.688 5.587 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.163 5.395 7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.161 8.379 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.037 7.577 8.259 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.113 4.952 6.383 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.256 9.112 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.677 4.360 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.820 8.521 3.814 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.529 6.144 3.165 1.00 0.00 H new ATOM 682 N ASN A 50 -10.465 7.649 8.614 1.00 0.00 N ATOM 683 CA ASN A 50 -11.356 8.059 9.738 1.00 0.00 C ATOM 684 C ASN A 50 -12.493 7.046 9.882 1.00 0.00 C ATOM 685 O ASN A 50 -12.799 6.592 10.968 1.00 0.00 O ATOM 686 CB ASN A 50 -11.938 9.446 9.451 1.00 0.00 C ATOM 687 CG ASN A 50 -12.839 9.377 8.217 1.00 0.00 C ATOM 688 OD1 ASN A 50 -13.969 8.938 8.299 1.00 0.00 O ATOM 689 ND2 ASN A 50 -12.383 9.795 7.068 1.00 0.00 N ATOM 0 H ASN A 50 -10.614 8.146 7.736 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.781 8.093 10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.508 9.798 10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.133 10.163 9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.975 9.753 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.434 10.164 6.999 1.00 0.00 H new ATOM 696 N ASN A 51 -13.117 6.681 8.796 1.00 0.00 N ATOM 697 CA ASN A 51 -14.228 5.689 8.869 1.00 0.00 C ATOM 698 C ASN A 51 -13.744 4.361 8.285 1.00 0.00 C ATOM 699 O ASN A 51 -13.493 4.248 7.102 1.00 0.00 O ATOM 700 CB ASN A 51 -15.424 6.203 8.063 1.00 0.00 C ATOM 701 CG ASN A 51 -16.722 5.670 8.673 1.00 0.00 C ATOM 702 OD1 ASN A 51 -17.262 4.587 8.187 1.00 0.00 O flip ATOM 703 ND2 ASN A 51 -17.252 6.249 9.600 1.00 0.00 N flip ATOM 0 H ASN A 51 -12.906 7.027 7.860 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.532 5.545 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.432 7.293 8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.340 5.883 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.830 7.096 9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.119 5.888 9.998 1.00 0.00 H new ATOM 710 N ALA A 52 -13.601 3.355 9.105 1.00 0.00 N ATOM 711 CA ALA A 52 -13.122 2.042 8.592 1.00 0.00 C ATOM 712 C ALA A 52 -14.270 1.030 8.601 1.00 0.00 C ATOM 713 O ALA A 52 -14.061 -0.155 8.767 1.00 0.00 O ATOM 714 CB ALA A 52 -11.989 1.529 9.483 1.00 0.00 C ATOM 0 H ALA A 52 -13.795 3.387 10.106 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.760 2.167 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.638 0.568 9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.167 2.244 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.354 1.409 10.503 1.00 0.00 H new ATOM 720 N ASP A 53 -15.481 1.483 8.423 1.00 0.00 N ATOM 721 CA ASP A 53 -16.634 0.540 8.423 1.00 0.00 C ATOM 722 C ASP A 53 -16.622 -0.293 7.135 1.00 0.00 C ATOM 723 O ASP A 53 -16.624 -1.507 7.189 1.00 0.00 O ATOM 724 CB ASP A 53 -17.944 1.325 8.518 1.00 0.00 C ATOM 725 CG ASP A 53 -18.774 0.790 9.684 1.00 0.00 C ATOM 726 OD1 ASP A 53 -18.300 0.863 10.805 1.00 0.00 O ATOM 727 OD2 ASP A 53 -19.871 0.316 9.437 1.00 0.00 O ATOM 0 H ASP A 53 -15.721 2.464 8.278 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.552 -0.126 9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.736 2.385 8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.504 1.234 7.587 1.00 0.00 H new ATOM 732 N PRO A 54 -16.613 0.382 6.010 1.00 0.00 N ATOM 733 CA PRO A 54 -16.603 -0.288 4.696 1.00 0.00 C ATOM 734 C PRO A 54 -15.328 -1.122 4.533 1.00 0.00 C ATOM 735 O PRO A 54 -15.209 -1.919 3.623 1.00 0.00 O ATOM 736 CB PRO A 54 -16.635 0.854 3.672 1.00 0.00 C ATOM 737 CG PRO A 54 -16.632 2.190 4.455 1.00 0.00 C ATOM 738 CD PRO A 54 -16.614 1.856 5.954 1.00 0.00 C ATOM 0 HA PRO A 54 -17.443 -0.971 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.772 0.797 3.009 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.524 0.780 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.761 2.788 4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.514 2.781 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.732 2.271 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.484 2.271 6.463 1.00 0.00 H new ATOM 746 N ILE A 55 -14.374 -0.948 5.408 1.00 0.00 N ATOM 747 CA ILE A 55 -13.109 -1.734 5.301 1.00 0.00 C ATOM 748 C ILE A 55 -13.050 -2.749 6.443 1.00 0.00 C ATOM 749 O ILE A 55 -12.299 -3.701 6.403 1.00 0.00 O ATOM 750 CB ILE A 55 -11.885 -0.805 5.384 1.00 0.00 C ATOM 751 CG1 ILE A 55 -12.312 0.609 5.807 1.00 0.00 C ATOM 752 CG2 ILE A 55 -11.198 -0.741 4.019 1.00 0.00 C ATOM 753 CD1 ILE A 55 -13.114 1.273 4.683 1.00 0.00 C ATOM 0 H ILE A 55 -14.415 -0.296 6.192 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.094 -2.248 4.340 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.194 -1.202 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -12.914 0.560 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.432 1.209 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.331 -0.083 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.875 -1.740 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.897 -0.354 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -13.412 2.275 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -12.498 1.338 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -14.003 0.679 4.470 1.00 0.00 H new ATOM 765 N ARG A 56 -13.838 -2.553 7.464 1.00 0.00 N ATOM 766 CA ARG A 56 -13.826 -3.507 8.607 1.00 0.00 C ATOM 767 C ARG A 56 -14.839 -4.624 8.352 1.00 0.00 C ATOM 768 O ARG A 56 -14.786 -5.675 8.958 1.00 0.00 O ATOM 769 CB ARG A 56 -14.204 -2.763 9.888 1.00 0.00 C ATOM 770 CG ARG A 56 -13.948 -3.663 11.098 1.00 0.00 C ATOM 771 CD ARG A 56 -14.522 -3.006 12.354 1.00 0.00 C ATOM 772 NE ARG A 56 -13.559 -3.158 13.481 1.00 0.00 N ATOM 773 CZ ARG A 56 -13.691 -2.429 14.558 1.00 0.00 C ATOM 774 NH1 ARG A 56 -14.668 -1.567 14.653 1.00 0.00 N ATOM 775 NH2 ARG A 56 -12.847 -2.565 15.543 1.00 0.00 N ATOM 0 H ARG A 56 -14.489 -1.773 7.556 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.830 -3.938 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.621 -1.846 9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.254 -2.471 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.408 -4.639 10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.878 -3.831 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.716 -1.950 12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.476 -3.465 12.613 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.796 -3.832 13.412 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.331 -1.461 13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.768 -1.000 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.085 -3.240 15.472 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.949 -1.997 16.384 1.00 0.00 H new ATOM 789 N ALA A 57 -15.764 -4.402 7.458 1.00 0.00 N ATOM 790 CA ALA A 57 -16.781 -5.449 7.165 1.00 0.00 C ATOM 791 C ALA A 57 -16.389 -6.196 5.889 1.00 0.00 C ATOM 792 O ALA A 57 -17.213 -6.463 5.037 1.00 0.00 O ATOM 793 CB ALA A 57 -18.148 -4.789 6.971 1.00 0.00 C ATOM 0 H ALA A 57 -15.858 -3.541 6.919 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.831 -6.152 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.894 -5.554 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.427 -4.255 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.098 -4.087 6.139 1.00 0.00 H new ATOM 799 N SER A 58 -15.136 -6.532 5.749 1.00 0.00 N ATOM 800 CA SER A 58 -14.692 -7.260 4.528 1.00 0.00 C ATOM 801 C SER A 58 -15.025 -6.425 3.289 1.00 0.00 C ATOM 802 O SER A 58 -15.790 -6.835 2.440 1.00 0.00 O ATOM 803 CB SER A 58 -15.415 -8.605 4.445 1.00 0.00 C ATOM 804 OG SER A 58 -14.466 -9.655 4.581 1.00 0.00 O ATOM 0 H SER A 58 -14.401 -6.334 6.428 1.00 0.00 H new ATOM 0 HA SER A 58 -13.616 -7.428 4.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.168 -8.676 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.938 -8.692 3.493 1.00 0.00 H new ATOM 0 HG SER A 58 -14.925 -10.519 4.530 1.00 0.00 H new ATOM 810 N GLY A 59 -14.459 -5.253 3.182 1.00 0.00 N ATOM 811 CA GLY A 59 -14.749 -4.394 1.999 1.00 0.00 C ATOM 812 C GLY A 59 -13.456 -3.757 1.491 1.00 0.00 C ATOM 813 O GLY A 59 -13.322 -2.550 1.448 1.00 0.00 O ATOM 0 H GLY A 59 -13.810 -4.855 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.206 -4.990 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.466 -3.618 2.269 1.00 0.00 H new ATOM 817 N PHE A 60 -12.504 -4.557 1.098 1.00 0.00 N ATOM 818 CA PHE A 60 -11.226 -3.994 0.582 1.00 0.00 C ATOM 819 C PHE A 60 -11.150 -4.238 -0.923 1.00 0.00 C ATOM 820 O PHE A 60 -10.715 -5.278 -1.375 1.00 0.00 O ATOM 821 CB PHE A 60 -10.049 -4.678 1.272 1.00 0.00 C ATOM 822 CG PHE A 60 -8.952 -3.669 1.511 1.00 0.00 C ATOM 823 CD1 PHE A 60 -9.236 -2.479 2.189 1.00 0.00 C ATOM 824 CD2 PHE A 60 -7.652 -3.923 1.057 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.222 -1.542 2.412 1.00 0.00 C ATOM 826 CE2 PHE A 60 -6.637 -2.985 1.281 1.00 0.00 C ATOM 827 CZ PHE A 60 -6.922 -1.795 1.959 1.00 0.00 C ATOM 0 H PHE A 60 -12.556 -5.576 1.112 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.185 -2.924 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.371 -5.113 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -9.677 -5.496 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.238 -2.284 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.432 -4.842 0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.442 -0.623 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.634 -3.180 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.139 -1.072 2.133 1.00 0.00 H new ATOM 837 N ASP A 61 -11.583 -3.290 -1.701 1.00 0.00 N ATOM 838 CA ASP A 61 -11.550 -3.466 -3.178 1.00 0.00 C ATOM 839 C ASP A 61 -11.019 -2.192 -3.838 1.00 0.00 C ATOM 840 O ASP A 61 -11.511 -1.107 -3.603 1.00 0.00 O ATOM 841 CB ASP A 61 -12.964 -3.751 -3.687 1.00 0.00 C ATOM 842 CG ASP A 61 -13.348 -5.195 -3.357 1.00 0.00 C ATOM 843 OD1 ASP A 61 -13.234 -5.567 -2.200 1.00 0.00 O ATOM 844 OD2 ASP A 61 -13.749 -5.903 -4.265 1.00 0.00 O ATOM 0 H ASP A 61 -11.959 -2.399 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.895 -4.301 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.672 -3.062 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.013 -3.588 -4.764 1.00 0.00 H new ATOM 849 N LEU A 62 -10.020 -2.320 -4.667 1.00 0.00 N ATOM 850 CA LEU A 62 -9.457 -1.122 -5.349 1.00 0.00 C ATOM 851 C LEU A 62 -10.092 -0.985 -6.733 1.00 0.00 C ATOM 852 O LEU A 62 -11.081 -1.622 -7.036 1.00 0.00 O ATOM 853 CB LEU A 62 -7.943 -1.290 -5.495 1.00 0.00 C ATOM 854 CG LEU A 62 -7.226 -0.410 -4.469 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.317 1.056 -4.898 1.00 0.00 C ATOM 856 CD2 LEU A 62 -7.886 -0.581 -3.098 1.00 0.00 C ATOM 0 H LEU A 62 -9.569 -3.204 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.669 -0.229 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.667 -2.334 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.632 -1.017 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.179 -0.706 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.806 1.682 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.846 1.180 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.364 1.352 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.375 0.046 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.934 -0.287 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.820 -1.624 -2.790 1.00 0.00 H new ATOM 868 N ALA A 63 -9.533 -0.162 -7.578 1.00 0.00 N ATOM 869 CA ALA A 63 -10.112 0.002 -8.940 1.00 0.00 C ATOM 870 C ALA A 63 -10.280 -1.375 -9.580 1.00 0.00 C ATOM 871 O ALA A 63 -9.379 -1.894 -10.208 1.00 0.00 O ATOM 872 CB ALA A 63 -9.176 0.855 -9.797 1.00 0.00 C ATOM 0 H ALA A 63 -8.705 0.401 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.081 0.496 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.602 0.974 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.053 1.835 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.205 0.365 -9.873 1.00 0.00 H new ATOM 878 N GLY A 64 -11.426 -1.972 -9.418 1.00 0.00 N ATOM 879 CA GLY A 64 -11.655 -3.320 -10.008 1.00 0.00 C ATOM 880 C GLY A 64 -10.660 -4.312 -9.402 1.00 0.00 C ATOM 881 O GLY A 64 -9.964 -5.016 -10.107 1.00 0.00 O ATOM 0 H GLY A 64 -12.216 -1.585 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.676 -3.646 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.534 -3.281 -11.091 1.00 0.00 H new ATOM 885 N VAL A 65 -10.585 -4.371 -8.101 1.00 0.00 N ATOM 886 CA VAL A 65 -9.629 -5.315 -7.455 1.00 0.00 C ATOM 887 C VAL A 65 -10.278 -5.933 -6.215 1.00 0.00 C ATOM 888 O VAL A 65 -10.641 -5.241 -5.285 1.00 0.00 O ATOM 889 CB VAL A 65 -8.367 -4.556 -7.042 1.00 0.00 C ATOM 890 CG1 VAL A 65 -7.227 -5.547 -6.810 1.00 0.00 C ATOM 891 CG2 VAL A 65 -7.972 -3.578 -8.150 1.00 0.00 C ATOM 0 H VAL A 65 -11.143 -3.808 -7.458 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.367 -6.105 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.562 -4.004 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.328 -5.005 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.506 -6.244 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.033 -6.100 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.073 -3.038 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.778 -4.129 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.783 -2.869 -8.316 1.00 0.00 H new ATOM 901 N HIS A 66 -10.424 -7.230 -6.190 1.00 0.00 N ATOM 902 CA HIS A 66 -11.045 -7.886 -5.005 1.00 0.00 C ATOM 903 C HIS A 66 -10.004 -8.011 -3.892 1.00 0.00 C ATOM 904 O HIS A 66 -8.940 -8.563 -4.085 1.00 0.00 O ATOM 905 CB HIS A 66 -11.545 -9.278 -5.393 1.00 0.00 C ATOM 906 CG HIS A 66 -12.584 -9.155 -6.473 1.00 0.00 C ATOM 907 ND1 HIS A 66 -12.536 -9.909 -7.634 1.00 0.00 N ATOM 908 CD2 HIS A 66 -13.704 -8.369 -6.581 1.00 0.00 C ATOM 909 CE1 HIS A 66 -13.597 -9.563 -8.385 1.00 0.00 C ATOM 910 NE2 HIS A 66 -14.343 -8.628 -7.789 1.00 0.00 N ATOM 0 H HIS A 66 -10.140 -7.863 -6.938 1.00 0.00 H new ATOM 0 HA HIS A 66 -11.884 -7.285 -4.655 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.714 -9.891 -5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.968 -9.780 -4.523 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -14.038 -7.657 -5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.819 -9.989 -9.352 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -15.197 -8.197 -8.144 1.00 0.00 H new ATOM 918 N TYR A 67 -10.298 -7.501 -2.726 1.00 0.00 N ATOM 919 CA TYR A 67 -9.315 -7.592 -1.610 1.00 0.00 C ATOM 920 C TYR A 67 -10.052 -7.648 -0.268 1.00 0.00 C ATOM 921 O TYR A 67 -11.232 -7.371 -0.184 1.00 0.00 O ATOM 922 CB TYR A 67 -8.405 -6.364 -1.635 1.00 0.00 C ATOM 923 CG TYR A 67 -7.027 -6.768 -2.098 1.00 0.00 C ATOM 924 CD1 TYR A 67 -6.794 -7.035 -3.451 1.00 0.00 C ATOM 925 CD2 TYR A 67 -5.983 -6.876 -1.173 1.00 0.00 C ATOM 926 CE1 TYR A 67 -5.516 -7.411 -3.880 1.00 0.00 C ATOM 927 CE2 TYR A 67 -4.705 -7.252 -1.601 1.00 0.00 C ATOM 928 CZ TYR A 67 -4.472 -7.519 -2.955 1.00 0.00 C ATOM 929 OH TYR A 67 -3.212 -7.888 -3.377 1.00 0.00 O ATOM 0 H TYR A 67 -11.173 -7.027 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.719 -8.497 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.817 -5.607 -2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.350 -5.918 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.600 -6.951 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.164 -6.669 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.336 -7.618 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.899 -7.336 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.733 -7.099 -3.706 1.00 0.00 H new ATOM 939 N VAL A 68 -9.359 -8.000 0.782 1.00 0.00 N ATOM 940 CA VAL A 68 -10.012 -8.070 2.121 1.00 0.00 C ATOM 941 C VAL A 68 -9.376 -7.026 3.041 1.00 0.00 C ATOM 942 O VAL A 68 -8.523 -6.264 2.631 1.00 0.00 O ATOM 943 CB VAL A 68 -9.817 -9.465 2.724 1.00 0.00 C ATOM 944 CG1 VAL A 68 -11.037 -9.830 3.570 1.00 0.00 C ATOM 945 CG2 VAL A 68 -9.649 -10.496 1.604 1.00 0.00 C ATOM 0 H VAL A 68 -8.368 -8.242 0.770 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.079 -7.873 2.015 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.924 -9.463 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.899 -10.822 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.155 -9.101 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.929 -9.827 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.511 -11.486 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.539 -10.497 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.778 -10.240 1.001 1.00 0.00 H new ATOM 955 N THR A 69 -9.780 -6.981 4.280 1.00 0.00 N ATOM 956 CA THR A 69 -9.189 -5.982 5.213 1.00 0.00 C ATOM 957 C THR A 69 -8.826 -6.664 6.532 1.00 0.00 C ATOM 958 O THR A 69 -9.684 -7.047 7.301 1.00 0.00 O ATOM 959 CB THR A 69 -10.202 -4.866 5.478 1.00 0.00 C ATOM 960 OG1 THR A 69 -11.181 -4.862 4.446 1.00 0.00 O ATOM 961 CG2 THR A 69 -9.479 -3.518 5.503 1.00 0.00 C ATOM 0 H THR A 69 -10.491 -7.590 4.685 1.00 0.00 H new ATOM 0 HA THR A 69 -8.290 -5.558 4.765 1.00 0.00 H new ATOM 0 HB THR A 69 -10.688 -5.034 6.439 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.007 -4.453 4.780 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.199 -2.722 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.728 -3.522 6.293 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.994 -3.348 4.542 1.00 0.00 H new ATOM 969 N LEU A 70 -7.558 -6.815 6.800 1.00 0.00 N ATOM 970 CA LEU A 70 -7.137 -7.466 8.071 1.00 0.00 C ATOM 971 C LEU A 70 -6.699 -6.390 9.065 1.00 0.00 C ATOM 972 O LEU A 70 -6.749 -6.579 10.265 1.00 0.00 O ATOM 973 CB LEU A 70 -5.969 -8.416 7.797 1.00 0.00 C ATOM 974 CG LEU A 70 -6.427 -9.860 7.996 1.00 0.00 C ATOM 975 CD1 LEU A 70 -7.618 -10.148 7.080 1.00 0.00 C ATOM 976 CD2 LEU A 70 -5.279 -10.810 7.651 1.00 0.00 C ATOM 0 H LEU A 70 -6.795 -6.515 6.193 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.971 -8.032 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.604 -8.276 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.139 -8.191 8.467 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.723 -10.008 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.945 -11.178 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.436 -9.471 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.322 -10.001 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.605 -11.841 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.984 -10.662 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.429 -10.605 8.302 1.00 0.00 H new ATOM 988 N ARG A 71 -6.274 -5.260 8.572 1.00 0.00 N ATOM 989 CA ARG A 71 -5.834 -4.164 9.480 1.00 0.00 C ATOM 990 C ARG A 71 -6.117 -2.816 8.815 1.00 0.00 C ATOM 991 O ARG A 71 -5.576 -2.502 7.773 1.00 0.00 O ATOM 992 CB ARG A 71 -4.332 -4.295 9.750 1.00 0.00 C ATOM 993 CG ARG A 71 -4.111 -4.986 11.098 1.00 0.00 C ATOM 994 CD ARG A 71 -3.627 -3.957 12.122 1.00 0.00 C ATOM 995 NE ARG A 71 -4.336 -4.173 13.416 1.00 0.00 N ATOM 996 CZ ARG A 71 -3.889 -3.618 14.510 1.00 0.00 C ATOM 997 NH1 ARG A 71 -2.820 -2.867 14.476 1.00 0.00 N ATOM 998 NH2 ARG A 71 -4.512 -3.815 15.641 1.00 0.00 N ATOM 0 H ARG A 71 -6.212 -5.048 7.576 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.377 -4.229 10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.858 -4.869 8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.866 -3.310 9.754 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.038 -5.447 11.439 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.377 -5.785 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.550 -4.049 12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.815 -2.948 11.756 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.172 -4.756 13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.333 -2.713 13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.473 -2.435 15.332 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.346 -4.402 15.668 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.164 -3.382 16.497 1.00 0.00 H new ATOM 1012 N ALA A 72 -6.963 -2.014 9.404 1.00 0.00 N ATOM 1013 CA ALA A 72 -7.276 -0.689 8.798 1.00 0.00 C ATOM 1014 C ALA A 72 -7.874 0.238 9.857 1.00 0.00 C ATOM 1015 O ALA A 72 -9.061 0.496 9.871 1.00 0.00 O ATOM 1016 CB ALA A 72 -8.281 -0.874 7.659 1.00 0.00 C ATOM 0 H ALA A 72 -7.450 -2.219 10.277 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.359 -0.247 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.510 0.095 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.854 -1.529 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.196 -1.320 8.050 1.00 0.00 H new ATOM 1022 N ASP A 73 -7.060 0.746 10.744 1.00 0.00 N ATOM 1023 CA ASP A 73 -7.584 1.660 11.797 1.00 0.00 C ATOM 1024 C ASP A 73 -6.438 2.095 12.710 1.00 0.00 C ATOM 1025 O ASP A 73 -6.395 3.217 13.175 1.00 0.00 O ATOM 1026 CB ASP A 73 -8.646 0.934 12.625 1.00 0.00 C ATOM 1027 CG ASP A 73 -9.380 1.944 13.510 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -10.044 2.809 12.962 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -9.267 1.835 14.720 1.00 0.00 O ATOM 0 H ASP A 73 -6.057 0.567 10.784 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.029 2.537 11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.353 0.429 11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.180 0.165 13.241 1.00 0.00 H new ATOM 1034 N ASP A 74 -5.513 1.216 12.979 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.377 1.578 13.870 1.00 0.00 C ATOM 1036 C ASP A 74 -3.391 2.480 13.123 1.00 0.00 C ATOM 1037 O ASP A 74 -3.443 3.690 13.227 1.00 0.00 O ATOM 1038 CB ASP A 74 -3.661 0.305 14.329 1.00 0.00 C ATOM 1039 CG ASP A 74 -4.223 -0.132 15.683 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -4.534 0.737 16.482 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -4.334 -1.328 15.898 1.00 0.00 O ATOM 0 H ASP A 74 -5.495 0.262 12.620 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.761 2.114 14.738 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.797 -0.488 13.593 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.589 0.486 14.409 1.00 0.00 H new ATOM 1046 N ARG A 75 -2.483 1.907 12.378 1.00 0.00 N ATOM 1047 CA ARG A 75 -1.493 2.743 11.643 1.00 0.00 C ATOM 1048 C ARG A 75 -1.301 2.211 10.221 1.00 0.00 C ATOM 1049 O ARG A 75 -1.557 2.896 9.250 1.00 0.00 O ATOM 1050 CB ARG A 75 -0.148 2.692 12.372 1.00 0.00 C ATOM 1051 CG ARG A 75 -0.219 3.526 13.653 1.00 0.00 C ATOM 1052 CD ARG A 75 1.134 4.198 13.919 1.00 0.00 C ATOM 1053 NE ARG A 75 2.237 3.447 13.227 1.00 0.00 N ATOM 1054 CZ ARG A 75 2.389 2.157 13.382 1.00 0.00 C ATOM 1055 NH1 ARG A 75 1.696 1.507 14.276 1.00 0.00 N ATOM 1056 NH2 ARG A 75 3.278 1.522 12.666 1.00 0.00 N ATOM 0 H ARG A 75 -2.385 0.900 12.248 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.862 3.768 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.106 1.660 12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.642 3.072 11.724 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.998 4.283 13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.490 2.890 14.496 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.111 5.229 13.566 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.326 4.232 14.991 1.00 0.00 H new ATOM 0 HE ARG A 75 2.882 3.955 12.622 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.027 2.005 14.863 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.823 0.501 14.388 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.848 2.032 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.402 0.516 12.782 1.00 0.00 H new ATOM 1070 N SER A 76 -0.828 1.004 10.094 1.00 0.00 N ATOM 1071 CA SER A 76 -0.590 0.433 8.738 1.00 0.00 C ATOM 1072 C SER A 76 -1.838 -0.295 8.237 1.00 0.00 C ATOM 1073 O SER A 76 -2.731 -0.620 8.995 1.00 0.00 O ATOM 1074 CB SER A 76 0.566 -0.558 8.809 1.00 0.00 C ATOM 1075 OG SER A 76 1.469 -0.156 9.833 1.00 0.00 O ATOM 0 H SER A 76 -0.595 0.386 10.871 1.00 0.00 H new ATOM 0 HA SER A 76 -0.352 1.245 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.189 -1.560 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.082 -0.602 7.850 1.00 0.00 H new ATOM 0 HG SER A 76 2.171 -0.832 9.934 1.00 0.00 H new ATOM 1081 N ILE A 77 -1.895 -0.559 6.958 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.071 -1.270 6.384 1.00 0.00 C ATOM 1083 C ILE A 77 -2.600 -2.214 5.272 1.00 0.00 C ATOM 1084 O ILE A 77 -2.858 -1.982 4.108 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.047 -0.251 5.786 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -4.536 0.706 6.875 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.247 -0.984 5.184 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -4.168 2.141 6.494 1.00 0.00 C ATOM 0 H ILE A 77 -1.171 -0.310 6.283 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.567 -1.838 7.171 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.535 0.317 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.616 0.616 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.085 0.445 7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.941 -0.259 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.905 -1.661 4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.752 -1.556 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.516 2.824 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.086 2.225 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.640 2.398 5.546 1.00 0.00 H new ATOM 1100 N TYR A 78 -1.925 -3.282 5.606 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.468 -4.217 4.535 1.00 0.00 C ATOM 1102 C TYR A 78 -2.561 -5.254 4.283 1.00 0.00 C ATOM 1103 O TYR A 78 -2.744 -6.177 5.051 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.177 -4.945 4.943 1.00 0.00 C ATOM 1105 CG TYR A 78 0.497 -4.258 6.107 1.00 0.00 C ATOM 1106 CD1 TYR A 78 0.124 -4.582 7.418 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.511 -3.317 5.881 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.761 -3.963 8.500 1.00 0.00 C ATOM 1109 CE2 TYR A 78 2.149 -2.701 6.964 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.774 -3.025 8.273 1.00 0.00 C ATOM 1111 OH TYR A 78 2.402 -2.415 9.341 1.00 0.00 O ATOM 0 H TYR A 78 -1.673 -3.545 6.559 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.268 -3.637 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.408 -5.976 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.506 -4.981 4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.655 -5.309 7.594 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.800 -3.067 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.470 -4.210 9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.930 -1.976 6.790 1.00 0.00 H new ATOM 0 HH TYR A 78 3.224 -1.980 9.032 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.289 -5.109 3.210 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.372 -6.086 2.908 1.00 0.00 C ATOM 1123 C GLY A 79 -3.756 -7.452 2.602 1.00 0.00 C ATOM 1124 O GLY A 79 -2.559 -7.581 2.435 1.00 0.00 O ATOM 0 H GLY A 79 -3.181 -4.357 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.053 -6.164 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.960 -5.742 2.057 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.565 -8.472 2.526 1.00 0.00 N ATOM 1129 CA LYS A 80 -4.028 -9.829 2.231 1.00 0.00 C ATOM 1130 C LYS A 80 -5.076 -10.631 1.456 1.00 0.00 C ATOM 1131 O LYS A 80 -6.265 -10.457 1.636 1.00 0.00 O ATOM 1132 CB LYS A 80 -3.707 -10.548 3.541 1.00 0.00 C ATOM 1133 CG LYS A 80 -2.812 -11.755 3.256 1.00 0.00 C ATOM 1134 CD LYS A 80 -2.391 -12.404 4.575 1.00 0.00 C ATOM 1135 CE LYS A 80 -1.429 -13.558 4.292 1.00 0.00 C ATOM 1136 NZ LYS A 80 -2.142 -14.627 3.535 1.00 0.00 N ATOM 0 H LYS A 80 -5.576 -8.424 2.656 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.120 -9.739 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.207 -9.866 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.628 -10.872 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.344 -12.477 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.931 -11.443 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.911 -11.666 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.268 -12.770 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.574 -13.200 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.040 -13.959 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.599 -15.512 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.086 -14.773 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.239 -14.342 2.540 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.643 -11.504 0.591 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.613 -12.314 -0.200 1.00 0.00 C ATOM 1152 C LYS A 81 -5.183 -13.784 -0.202 1.00 0.00 C ATOM 1153 O LYS A 81 -6.002 -14.679 -0.286 1.00 0.00 O ATOM 1154 CB LYS A 81 -5.647 -11.797 -1.639 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.022 -11.199 -1.939 1.00 0.00 C ATOM 1156 CD LYS A 81 -7.268 -11.218 -3.449 1.00 0.00 C ATOM 1157 CE LYS A 81 -8.400 -12.197 -3.771 1.00 0.00 C ATOM 1158 NZ LYS A 81 -8.834 -12.005 -5.184 1.00 0.00 N ATOM 0 H LYS A 81 -3.660 -11.693 0.397 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.603 -12.229 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.873 -11.044 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.434 -12.610 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.798 -11.768 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.076 -10.177 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.527 -10.219 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.358 -11.513 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.063 -13.222 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.240 -12.034 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.774 -12.429 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.879 -10.988 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.152 -12.463 -5.822 1.00 0.00 H new ATOM 1172 N GLY A 82 -3.907 -14.042 -0.124 1.00 0.00 N ATOM 1173 CA GLY A 82 -3.422 -15.450 -0.136 1.00 0.00 C ATOM 1174 C GLY A 82 -2.432 -15.610 -1.288 1.00 0.00 C ATOM 1175 O GLY A 82 -1.251 -15.806 -1.084 1.00 0.00 O ATOM 0 H GLY A 82 -3.176 -13.334 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.943 -15.694 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.259 -16.138 -0.257 1.00 0.00 H new ATOM 1179 N SER A 83 -2.904 -15.507 -2.500 1.00 0.00 N ATOM 1180 CA SER A 83 -1.993 -15.629 -3.669 1.00 0.00 C ATOM 1181 C SER A 83 -1.410 -14.247 -3.975 1.00 0.00 C ATOM 1182 O SER A 83 -0.402 -14.114 -4.640 1.00 0.00 O ATOM 1183 CB SER A 83 -2.777 -16.134 -4.882 1.00 0.00 C ATOM 1184 OG SER A 83 -3.146 -15.028 -5.696 1.00 0.00 O ATOM 0 H SER A 83 -3.884 -15.343 -2.730 1.00 0.00 H new ATOM 0 HA SER A 83 -1.192 -16.334 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.171 -16.836 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.666 -16.673 -4.556 1.00 0.00 H new ATOM 0 HG SER A 83 -2.419 -14.825 -6.322 1.00 0.00 H new ATOM 1190 N ALA A 84 -2.046 -13.218 -3.483 1.00 0.00 N ATOM 1191 CA ALA A 84 -1.549 -11.834 -3.727 1.00 0.00 C ATOM 1192 C ALA A 84 -1.878 -10.968 -2.508 1.00 0.00 C ATOM 1193 O ALA A 84 -2.657 -11.350 -1.659 1.00 0.00 O ATOM 1194 CB ALA A 84 -2.233 -11.255 -4.968 1.00 0.00 C ATOM 0 H ALA A 84 -2.894 -13.278 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.471 -11.851 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.869 -10.243 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.007 -11.879 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.311 -11.230 -4.811 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.292 -9.805 -2.409 1.00 0.00 N ATOM 1201 CA GLY A 85 -1.578 -8.929 -1.236 1.00 0.00 C ATOM 1202 C GLY A 85 -1.186 -7.485 -1.558 1.00 0.00 C ATOM 1203 O GLY A 85 -0.463 -7.222 -2.497 1.00 0.00 O ATOM 0 H GLY A 85 -0.631 -9.425 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.637 -8.980 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.024 -9.280 -0.365 1.00 0.00 H new ATOM 1207 N VAL A 86 -1.658 -6.546 -0.780 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.312 -5.120 -1.037 1.00 0.00 C ATOM 1209 C VAL A 86 -0.817 -4.473 0.260 1.00 0.00 C ATOM 1210 O VAL A 86 -1.587 -4.165 1.148 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.548 -4.372 -1.549 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.594 -4.267 -0.435 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.143 -2.966 -1.997 1.00 0.00 C ATOM 0 H VAL A 86 -2.268 -6.707 0.022 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.526 -5.069 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.973 -4.919 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.469 -3.734 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.887 -5.267 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.171 -3.725 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.021 -2.433 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.714 -2.425 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.405 -3.037 -2.796 1.00 0.00 H new ATOM 1223 N ILE A 87 0.466 -4.262 0.377 1.00 0.00 N ATOM 1224 CA ILE A 87 1.007 -3.634 1.614 1.00 0.00 C ATOM 1225 C ILE A 87 0.808 -2.119 1.532 1.00 0.00 C ATOM 1226 O ILE A 87 1.612 -1.407 0.963 1.00 0.00 O ATOM 1227 CB ILE A 87 2.499 -3.956 1.737 1.00 0.00 C ATOM 1228 CG1 ILE A 87 2.675 -5.446 2.043 1.00 0.00 C ATOM 1229 CG2 ILE A 87 3.116 -3.130 2.868 1.00 0.00 C ATOM 1230 CD1 ILE A 87 3.709 -6.047 1.090 1.00 0.00 C ATOM 0 H ILE A 87 1.162 -4.498 -0.331 1.00 0.00 H new ATOM 0 HA ILE A 87 0.484 -4.023 2.488 1.00 0.00 H new ATOM 0 HB ILE A 87 2.998 -3.712 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.996 -5.580 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.722 -5.965 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.178 -3.363 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.993 -2.069 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.617 -3.369 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.833 -7.107 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.369 -5.927 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.663 -5.536 1.219 1.00 0.00 H new ATOM 1242 N THR A 88 -0.264 -1.622 2.086 1.00 0.00 N ATOM 1243 CA THR A 88 -0.524 -0.157 2.029 1.00 0.00 C ATOM 1244 C THR A 88 -0.164 0.495 3.366 1.00 0.00 C ATOM 1245 O THR A 88 -0.875 0.368 4.343 1.00 0.00 O ATOM 1246 CB THR A 88 -2.005 0.082 1.724 1.00 0.00 C ATOM 1247 OG1 THR A 88 -2.756 0.010 2.927 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.501 -0.983 0.745 1.00 0.00 C ATOM 0 H THR A 88 -0.972 -2.169 2.576 1.00 0.00 H new ATOM 0 HA THR A 88 0.090 0.285 1.244 1.00 0.00 H new ATOM 0 HB THR A 88 -2.130 1.070 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.269 -0.529 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.556 -0.814 0.527 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.926 -0.924 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.376 -1.971 1.188 1.00 0.00 H new ATOM 1256 N VAL A 89 0.931 1.207 3.412 1.00 0.00 N ATOM 1257 CA VAL A 89 1.331 1.883 4.679 1.00 0.00 C ATOM 1258 C VAL A 89 1.329 3.397 4.455 1.00 0.00 C ATOM 1259 O VAL A 89 1.572 3.872 3.364 1.00 0.00 O ATOM 1260 CB VAL A 89 2.732 1.427 5.094 1.00 0.00 C ATOM 1261 CG1 VAL A 89 3.063 1.995 6.475 1.00 0.00 C ATOM 1262 CG2 VAL A 89 2.776 -0.102 5.150 1.00 0.00 C ATOM 0 H VAL A 89 1.565 1.349 2.626 1.00 0.00 H new ATOM 0 HA VAL A 89 0.627 1.624 5.470 1.00 0.00 H new ATOM 0 HB VAL A 89 3.461 1.786 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.060 1.671 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.031 3.084 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.334 1.635 7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.774 -0.427 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.047 -0.461 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.538 -0.509 4.167 1.00 0.00 H new ATOM 1272 N LYS A 90 1.045 4.158 5.475 1.00 0.00 N ATOM 1273 CA LYS A 90 1.016 5.639 5.311 1.00 0.00 C ATOM 1274 C LYS A 90 2.421 6.215 5.498 1.00 0.00 C ATOM 1275 O LYS A 90 3.242 5.665 6.205 1.00 0.00 O ATOM 1276 CB LYS A 90 0.072 6.245 6.352 1.00 0.00 C ATOM 1277 CG LYS A 90 -1.373 6.110 5.871 1.00 0.00 C ATOM 1278 CD LYS A 90 -2.319 6.634 6.952 1.00 0.00 C ATOM 1279 CE LYS A 90 -2.208 8.157 7.036 1.00 0.00 C ATOM 1280 NZ LYS A 90 -3.537 8.733 7.387 1.00 0.00 N ATOM 0 H LYS A 90 0.832 3.820 6.413 1.00 0.00 H new ATOM 0 HA LYS A 90 0.663 5.882 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.196 5.739 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.316 7.295 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.514 6.670 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.598 5.067 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.345 6.346 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.070 6.187 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.468 8.438 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.865 8.560 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.474 9.771 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.242 8.434 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.823 8.397 8.329 1.00 0.00 H new ATOM 1294 N THR A 91 2.700 7.327 4.871 1.00 0.00 N ATOM 1295 CA THR A 91 4.046 7.953 5.012 1.00 0.00 C ATOM 1296 C THR A 91 3.896 9.476 4.973 1.00 0.00 C ATOM 1297 O THR A 91 2.831 10.006 5.211 1.00 0.00 O ATOM 1298 CB THR A 91 4.953 7.501 3.863 1.00 0.00 C ATOM 1299 OG1 THR A 91 4.730 8.331 2.732 1.00 0.00 O ATOM 1300 CG2 THR A 91 4.640 6.050 3.503 1.00 0.00 C ATOM 0 H THR A 91 2.051 7.830 4.266 1.00 0.00 H new ATOM 0 HA THR A 91 4.491 7.648 5.959 1.00 0.00 H new ATOM 0 HB THR A 91 5.996 7.578 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.565 8.783 2.489 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.286 5.730 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.812 5.414 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.598 5.968 3.195 1.00 0.00 H new ATOM 1308 N SER A 92 4.953 10.183 4.678 1.00 0.00 N ATOM 1309 CA SER A 92 4.861 11.670 4.626 1.00 0.00 C ATOM 1310 C SER A 92 4.009 12.086 3.425 1.00 0.00 C ATOM 1311 O SER A 92 4.518 12.373 2.360 1.00 0.00 O ATOM 1312 CB SER A 92 6.262 12.265 4.485 1.00 0.00 C ATOM 1313 OG SER A 92 6.193 13.674 4.661 1.00 0.00 O ATOM 0 H SER A 92 5.874 9.796 4.471 1.00 0.00 H new ATOM 0 HA SER A 92 4.402 12.037 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.932 11.827 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.673 12.029 3.503 1.00 0.00 H new ATOM 0 HG SER A 92 7.090 14.059 4.573 1.00 0.00 H new ATOM 1319 N LYS A 93 2.714 12.124 3.588 1.00 0.00 N ATOM 1320 CA LYS A 93 1.833 12.522 2.457 1.00 0.00 C ATOM 1321 C LYS A 93 1.991 11.520 1.312 1.00 0.00 C ATOM 1322 O LYS A 93 1.586 11.772 0.194 1.00 0.00 O ATOM 1323 CB LYS A 93 2.226 13.920 1.978 1.00 0.00 C ATOM 1324 CG LYS A 93 2.269 14.871 3.175 1.00 0.00 C ATOM 1325 CD LYS A 93 3.714 15.300 3.436 1.00 0.00 C ATOM 1326 CE LYS A 93 4.236 16.085 2.232 1.00 0.00 C ATOM 1327 NZ LYS A 93 3.427 17.324 2.060 1.00 0.00 N ATOM 0 H LYS A 93 2.230 11.896 4.456 1.00 0.00 H new ATOM 0 HA LYS A 93 0.794 12.531 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.199 13.889 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.509 14.279 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.649 15.746 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.859 14.380 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.766 15.914 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.339 14.424 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.286 16.340 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.179 15.472 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.973 18.023 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.550 17.098 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.192 17.718 2.994 1.00 0.00 H new ATOM 1341 N SER A 94 2.578 10.386 1.581 1.00 0.00 N ATOM 1342 CA SER A 94 2.763 9.368 0.508 1.00 0.00 C ATOM 1343 C SER A 94 2.232 8.016 0.990 1.00 0.00 C ATOM 1344 O SER A 94 2.225 7.724 2.170 1.00 0.00 O ATOM 1345 CB SER A 94 4.250 9.242 0.173 1.00 0.00 C ATOM 1346 OG SER A 94 4.434 9.411 -1.226 1.00 0.00 O ATOM 0 H SER A 94 2.938 10.120 2.498 1.00 0.00 H new ATOM 0 HA SER A 94 2.216 9.677 -0.383 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.822 9.992 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.623 8.267 0.485 1.00 0.00 H new ATOM 0 HG SER A 94 4.656 10.346 -1.416 1.00 0.00 H new ATOM 1352 N ILE A 95 1.785 7.187 0.086 1.00 0.00 N ATOM 1353 CA ILE A 95 1.255 5.854 0.488 1.00 0.00 C ATOM 1354 C ILE A 95 1.955 4.763 -0.323 1.00 0.00 C ATOM 1355 O ILE A 95 1.935 4.773 -1.537 1.00 0.00 O ATOM 1356 CB ILE A 95 -0.251 5.800 0.220 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -0.979 6.677 1.240 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -0.743 4.358 0.344 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -2.481 6.647 0.959 1.00 0.00 C ATOM 0 H ILE A 95 1.764 7.377 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 95 1.441 5.695 1.550 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.454 6.165 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.780 6.320 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.608 7.701 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.815 4.322 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.224 3.733 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.541 3.990 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.000 7.272 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.671 7.025 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.845 5.623 1.036 1.00 0.00 H new ATOM 1371 N LEU A 96 2.572 3.820 0.335 1.00 0.00 N ATOM 1372 CA LEU A 96 3.267 2.731 -0.406 1.00 0.00 C ATOM 1373 C LEU A 96 2.255 1.635 -0.739 1.00 0.00 C ATOM 1374 O LEU A 96 1.517 1.188 0.112 1.00 0.00 O ATOM 1375 CB LEU A 96 4.388 2.135 0.460 1.00 0.00 C ATOM 1376 CG LEU A 96 5.240 3.235 1.124 1.00 0.00 C ATOM 1377 CD1 LEU A 96 5.119 4.569 0.375 1.00 0.00 C ATOM 1378 CD2 LEU A 96 4.781 3.416 2.573 1.00 0.00 C ATOM 0 H LEU A 96 2.625 3.757 1.352 1.00 0.00 H new ATOM 0 HA LEU A 96 3.700 3.136 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.953 1.497 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.027 1.502 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 96 6.285 2.928 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.732 5.321 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.460 4.442 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.078 4.893 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.379 4.193 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.730 3.706 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.906 2.478 3.114 1.00 0.00 H new ATOM 1390 N VAL A 97 2.211 1.201 -1.966 1.00 0.00 N ATOM 1391 CA VAL A 97 1.238 0.136 -2.340 1.00 0.00 C ATOM 1392 C VAL A 97 1.991 -1.065 -2.912 1.00 0.00 C ATOM 1393 O VAL A 97 1.894 -1.368 -4.083 1.00 0.00 O ATOM 1394 CB VAL A 97 0.269 0.679 -3.390 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.523 -0.474 -4.011 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.698 1.660 -2.728 1.00 0.00 C ATOM 0 H VAL A 97 2.804 1.536 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 97 0.680 -0.174 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 97 0.833 1.189 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.212 -0.081 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.165 -1.175 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.087 -0.989 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.390 2.049 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.258 1.147 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.136 2.485 -2.290 1.00 0.00 H new ATOM 1406 N GLY A 98 2.740 -1.752 -2.096 1.00 0.00 N ATOM 1407 CA GLY A 98 3.492 -2.933 -2.601 1.00 0.00 C ATOM 1408 C GLY A 98 2.502 -3.980 -3.114 1.00 0.00 C ATOM 1409 O GLY A 98 1.927 -4.729 -2.349 1.00 0.00 O ATOM 0 H GLY A 98 2.864 -1.548 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.169 -2.633 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.106 -3.355 -1.805 1.00 0.00 H new ATOM 1413 N VAL A 99 2.297 -4.043 -4.401 1.00 0.00 N ATOM 1414 CA VAL A 99 1.342 -5.049 -4.950 1.00 0.00 C ATOM 1415 C VAL A 99 2.136 -6.233 -5.518 1.00 0.00 C ATOM 1416 O VAL A 99 3.035 -6.065 -6.322 1.00 0.00 O ATOM 1417 CB VAL A 99 0.469 -4.423 -6.055 1.00 0.00 C ATOM 1418 CG1 VAL A 99 -1.006 -4.623 -5.706 1.00 0.00 C ATOM 1419 CG2 VAL A 99 0.738 -2.918 -6.176 1.00 0.00 C ATOM 0 H VAL A 99 2.747 -3.445 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 99 0.685 -5.392 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 99 0.712 -4.908 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.627 -4.182 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.221 -5.689 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.223 -4.141 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.110 -2.498 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.508 -2.430 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.787 -2.755 -6.423 1.00 0.00 H new ATOM 1429 N TYR A 100 1.819 -7.429 -5.093 1.00 0.00 N ATOM 1430 CA TYR A 100 2.559 -8.624 -5.593 1.00 0.00 C ATOM 1431 C TYR A 100 1.586 -9.791 -5.787 1.00 0.00 C ATOM 1432 O TYR A 100 0.392 -9.650 -5.607 1.00 0.00 O ATOM 1433 CB TYR A 100 3.625 -9.018 -4.570 1.00 0.00 C ATOM 1434 CG TYR A 100 2.968 -9.291 -3.239 1.00 0.00 C ATOM 1435 CD1 TYR A 100 2.359 -8.246 -2.532 1.00 0.00 C ATOM 1436 CD2 TYR A 100 2.964 -10.588 -2.714 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.744 -8.500 -1.300 1.00 0.00 C ATOM 1438 CE2 TYR A 100 2.348 -10.842 -1.483 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.741 -9.798 -0.775 1.00 0.00 C ATOM 1440 OH TYR A 100 1.134 -10.050 0.438 1.00 0.00 O ATOM 0 H TYR A 100 1.079 -7.629 -4.420 1.00 0.00 H new ATOM 0 HA TYR A 100 3.031 -8.387 -6.547 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.162 -9.903 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.359 -8.219 -4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.364 -7.245 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.436 -11.393 -3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.272 -7.695 -0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.341 -11.844 -1.079 1.00 0.00 H new ATOM 0 HH TYR A 100 1.221 -11.001 0.656 1.00 0.00 H new ATOM 1450 N ASN A 101 2.083 -10.946 -6.157 1.00 0.00 N ATOM 1451 CA ASN A 101 1.179 -12.115 -6.364 1.00 0.00 C ATOM 1452 C ASN A 101 1.813 -13.388 -5.777 1.00 0.00 C ATOM 1453 O ASN A 101 2.012 -13.490 -4.583 1.00 0.00 O ATOM 1454 CB ASN A 101 0.913 -12.291 -7.863 1.00 0.00 C ATOM 1455 CG ASN A 101 2.231 -12.198 -8.636 1.00 0.00 C ATOM 1456 OD1 ASN A 101 2.720 -13.185 -9.151 1.00 0.00 O ATOM 1457 ND2 ASN A 101 2.828 -11.045 -8.744 1.00 0.00 N ATOM 0 H ASN A 101 3.073 -11.127 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 101 0.234 -11.937 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 101 0.440 -13.255 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.221 -11.524 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.705 -10.971 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.419 -10.216 -8.312 1.00 0.00 H new ATOM 1464 N GLU A 102 2.119 -14.365 -6.595 1.00 0.00 N ATOM 1465 CA GLU A 102 2.721 -15.624 -6.062 1.00 0.00 C ATOM 1466 C GLU A 102 4.236 -15.474 -5.935 1.00 0.00 C ATOM 1467 O GLU A 102 4.813 -15.772 -4.909 1.00 0.00 O ATOM 1468 CB GLU A 102 2.420 -16.784 -7.016 1.00 0.00 C ATOM 1469 CG GLU A 102 1.015 -16.625 -7.600 1.00 0.00 C ATOM 1470 CD GLU A 102 -0.004 -16.577 -6.463 1.00 0.00 C ATOM 1471 OE1 GLU A 102 -0.022 -17.505 -5.671 1.00 0.00 O ATOM 1472 OE2 GLU A 102 -0.747 -15.612 -6.402 1.00 0.00 O ATOM 0 H GLU A 102 1.978 -14.344 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 102 2.292 -15.825 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.157 -16.807 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.498 -17.733 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.957 -15.713 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.791 -17.456 -8.269 1.00 0.00 H new ATOM 1479 N LYS A 103 4.887 -15.034 -6.978 1.00 0.00 N ATOM 1480 CA LYS A 103 6.370 -14.881 -6.935 1.00 0.00 C ATOM 1481 C LYS A 103 6.817 -14.343 -5.570 1.00 0.00 C ATOM 1482 O LYS A 103 7.928 -14.584 -5.139 1.00 0.00 O ATOM 1483 CB LYS A 103 6.813 -13.912 -8.033 1.00 0.00 C ATOM 1484 CG LYS A 103 7.443 -14.699 -9.184 1.00 0.00 C ATOM 1485 CD LYS A 103 8.866 -15.113 -8.805 1.00 0.00 C ATOM 1486 CE LYS A 103 9.242 -16.395 -9.552 1.00 0.00 C ATOM 1487 NZ LYS A 103 8.739 -17.578 -8.797 1.00 0.00 N ATOM 0 H LYS A 103 4.453 -14.772 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 103 6.828 -15.857 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.959 -13.340 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.530 -13.195 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.843 -15.582 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.459 -14.090 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.566 -14.316 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.935 -15.273 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.815 -16.382 -10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.324 -16.457 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.995 -18.449 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.166 -17.592 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.704 -17.520 -8.709 1.00 0.00 H new ATOM 1501 N ILE A 104 5.976 -13.615 -4.887 1.00 0.00 N ATOM 1502 CA ILE A 104 6.386 -13.069 -3.561 1.00 0.00 C ATOM 1503 C ILE A 104 5.345 -13.427 -2.497 1.00 0.00 C ATOM 1504 O ILE A 104 4.165 -13.511 -2.768 1.00 0.00 O ATOM 1505 CB ILE A 104 6.505 -11.549 -3.652 1.00 0.00 C ATOM 1506 CG1 ILE A 104 7.602 -11.183 -4.653 1.00 0.00 C ATOM 1507 CG2 ILE A 104 6.857 -10.977 -2.277 1.00 0.00 C ATOM 1508 CD1 ILE A 104 7.212 -9.899 -5.385 1.00 0.00 C ATOM 0 H ILE A 104 5.031 -13.376 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 104 7.347 -13.502 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 104 5.555 -11.131 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.551 -11.046 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 104 7.743 -11.994 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.941 -9.892 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.074 -11.236 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.806 -11.394 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 104 7.992 -9.636 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 104 6.272 -10.053 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.093 -9.091 -4.664 1.00 0.00 H new ATOM 1520 N GLN A 105 5.780 -13.625 -1.282 1.00 0.00 N ATOM 1521 CA GLN A 105 4.827 -13.963 -0.188 1.00 0.00 C ATOM 1522 C GLN A 105 5.048 -12.995 0.978 1.00 0.00 C ATOM 1523 O GLN A 105 6.135 -12.481 1.152 1.00 0.00 O ATOM 1524 CB GLN A 105 5.075 -15.398 0.282 1.00 0.00 C ATOM 1525 CG GLN A 105 5.080 -16.339 -0.926 1.00 0.00 C ATOM 1526 CD GLN A 105 5.200 -17.785 -0.445 1.00 0.00 C ATOM 1527 OE1 GLN A 105 5.657 -18.037 0.653 1.00 0.00 O ATOM 1528 NE2 GLN A 105 4.808 -18.755 -1.224 1.00 0.00 N ATOM 0 H GLN A 105 6.758 -13.567 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 105 3.802 -13.878 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.028 -15.460 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.301 -15.699 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.164 -16.211 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.911 -16.094 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.424 -18.546 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.885 -19.723 -0.912 1.00 0.00 H new ATOM 1537 N PRO A 106 4.010 -12.771 1.742 1.00 0.00 N ATOM 1538 CA PRO A 106 4.074 -11.860 2.899 1.00 0.00 C ATOM 1539 C PRO A 106 5.131 -12.343 3.897 1.00 0.00 C ATOM 1540 O PRO A 106 5.699 -13.405 3.746 1.00 0.00 O ATOM 1541 CB PRO A 106 2.672 -11.915 3.520 1.00 0.00 C ATOM 1542 CG PRO A 106 1.819 -12.895 2.673 1.00 0.00 C ATOM 1543 CD PRO A 106 2.699 -13.405 1.520 1.00 0.00 C ATOM 0 HA PRO A 106 4.354 -10.845 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.725 -12.251 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.219 -10.924 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.471 -13.727 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.933 -12.393 2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.778 -14.492 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.283 -13.127 0.552 1.00 0.00 H new ATOM 1551 N GLY A 107 5.402 -11.566 4.911 1.00 0.00 N ATOM 1552 CA GLY A 107 6.425 -11.978 5.912 1.00 0.00 C ATOM 1553 C GLY A 107 7.750 -11.283 5.595 1.00 0.00 C ATOM 1554 O GLY A 107 8.358 -10.664 6.444 1.00 0.00 O ATOM 0 H GLY A 107 4.959 -10.665 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.094 -11.715 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.555 -13.060 5.892 1.00 0.00 H new ATOM 1558 N THR A 108 8.197 -11.378 4.373 1.00 0.00 N ATOM 1559 CA THR A 108 9.478 -10.720 3.991 1.00 0.00 C ATOM 1560 C THR A 108 9.172 -9.337 3.410 1.00 0.00 C ATOM 1561 O THR A 108 9.929 -8.400 3.575 1.00 0.00 O ATOM 1562 CB THR A 108 10.195 -11.580 2.941 1.00 0.00 C ATOM 1563 OG1 THR A 108 10.829 -12.674 3.585 1.00 0.00 O ATOM 1564 CG2 THR A 108 11.246 -10.743 2.204 1.00 0.00 C ATOM 0 H THR A 108 7.729 -11.884 3.621 1.00 0.00 H new ATOM 0 HA THR A 108 10.120 -10.613 4.865 1.00 0.00 H new ATOM 0 HB THR A 108 9.465 -11.948 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.286 -13.226 2.917 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.749 -11.362 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.760 -9.904 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.978 -10.367 2.919 1.00 0.00 H new ATOM 1572 N ALA A 109 8.067 -9.205 2.731 1.00 0.00 N ATOM 1573 CA ALA A 109 7.709 -7.887 2.137 1.00 0.00 C ATOM 1574 C ALA A 109 7.085 -6.994 3.210 1.00 0.00 C ATOM 1575 O ALA A 109 7.272 -5.793 3.217 1.00 0.00 O ATOM 1576 CB ALA A 109 6.702 -8.101 1.005 1.00 0.00 C ATOM 0 H ALA A 109 7.396 -9.954 2.562 1.00 0.00 H new ATOM 0 HA ALA A 109 8.606 -7.408 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.437 -7.139 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.145 -8.738 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.806 -8.579 1.401 1.00 0.00 H new ATOM 1582 N ALA A 110 6.340 -7.568 4.116 1.00 0.00 N ATOM 1583 CA ALA A 110 5.702 -6.749 5.185 1.00 0.00 C ATOM 1584 C ALA A 110 6.744 -6.395 6.249 1.00 0.00 C ATOM 1585 O ALA A 110 6.525 -5.543 7.088 1.00 0.00 O ATOM 1586 CB ALA A 110 4.566 -7.546 5.829 1.00 0.00 C ATOM 0 H ALA A 110 6.146 -8.568 4.162 1.00 0.00 H new ATOM 0 HA ALA A 110 5.302 -5.833 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.099 -6.947 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.823 -7.797 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.965 -8.462 6.264 1.00 0.00 H new ATOM 1592 N ASN A 111 7.875 -7.043 6.223 1.00 0.00 N ATOM 1593 CA ASN A 111 8.929 -6.747 7.234 1.00 0.00 C ATOM 1594 C ASN A 111 9.823 -5.612 6.732 1.00 0.00 C ATOM 1595 O ASN A 111 10.183 -4.720 7.474 1.00 0.00 O ATOM 1596 CB ASN A 111 9.777 -7.998 7.462 1.00 0.00 C ATOM 1597 CG ASN A 111 9.724 -8.391 8.939 1.00 0.00 C ATOM 1598 OD1 ASN A 111 8.674 -8.721 9.454 1.00 0.00 O ATOM 1599 ND2 ASN A 111 10.819 -8.369 9.647 1.00 0.00 N ATOM 0 H ASN A 111 8.116 -7.766 5.545 1.00 0.00 H new ATOM 0 HA ASN A 111 8.458 -6.447 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.409 -8.817 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.808 -7.811 7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.794 -8.629 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.700 -8.092 9.215 1.00 0.00 H new ATOM 1606 N VAL A 112 10.187 -5.642 5.480 1.00 0.00 N ATOM 1607 CA VAL A 112 11.062 -4.568 4.933 1.00 0.00 C ATOM 1608 C VAL A 112 10.272 -3.260 4.837 1.00 0.00 C ATOM 1609 O VAL A 112 10.828 -2.181 4.913 1.00 0.00 O ATOM 1610 CB VAL A 112 11.553 -4.974 3.542 1.00 0.00 C ATOM 1611 CG1 VAL A 112 10.409 -4.852 2.535 1.00 0.00 C ATOM 1612 CG2 VAL A 112 12.704 -4.057 3.121 1.00 0.00 C ATOM 0 H VAL A 112 9.916 -6.364 4.812 1.00 0.00 H new ATOM 0 HA VAL A 112 11.917 -4.424 5.594 1.00 0.00 H new ATOM 0 HB VAL A 112 11.900 -6.007 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.763 -5.142 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.590 -5.506 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.058 -3.821 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.055 -4.345 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.356 -3.024 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.522 -4.148 3.836 1.00 0.00 H new ATOM 1622 N VAL A 113 8.982 -3.344 4.669 1.00 0.00 N ATOM 1623 CA VAL A 113 8.161 -2.105 4.568 1.00 0.00 C ATOM 1624 C VAL A 113 7.820 -1.602 5.973 1.00 0.00 C ATOM 1625 O VAL A 113 7.486 -0.449 6.165 1.00 0.00 O ATOM 1626 CB VAL A 113 6.868 -2.409 3.807 1.00 0.00 C ATOM 1627 CG1 VAL A 113 6.019 -1.140 3.719 1.00 0.00 C ATOM 1628 CG2 VAL A 113 7.208 -2.891 2.394 1.00 0.00 C ATOM 0 H VAL A 113 8.460 -4.217 4.597 1.00 0.00 H new ATOM 0 HA VAL A 113 8.724 -1.339 4.035 1.00 0.00 H new ATOM 0 HB VAL A 113 6.312 -3.185 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.098 -1.355 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.777 -0.794 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.577 -0.365 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.287 -3.108 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 113 7.764 -2.115 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.815 -3.795 2.454 1.00 0.00 H new ATOM 1638 N GLU A 114 7.895 -2.457 6.956 1.00 0.00 N ATOM 1639 CA GLU A 114 7.567 -2.029 8.346 1.00 0.00 C ATOM 1640 C GLU A 114 8.704 -1.172 8.909 1.00 0.00 C ATOM 1641 O GLU A 114 8.475 -0.218 9.625 1.00 0.00 O ATOM 1642 CB GLU A 114 7.377 -3.265 9.226 1.00 0.00 C ATOM 1643 CG GLU A 114 5.928 -3.329 9.712 1.00 0.00 C ATOM 1644 CD GLU A 114 5.858 -4.139 11.009 1.00 0.00 C ATOM 1645 OE1 GLU A 114 6.863 -4.206 11.697 1.00 0.00 O ATOM 1646 OE2 GLU A 114 4.801 -4.676 11.290 1.00 0.00 O ATOM 0 H GLU A 114 8.169 -3.434 6.857 1.00 0.00 H new ATOM 0 HA GLU A 114 6.649 -1.442 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.623 -4.166 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.056 -3.226 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.545 -2.322 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.298 -3.788 8.950 1.00 0.00 H new ATOM 1653 N LYS A 115 9.927 -1.505 8.598 1.00 0.00 N ATOM 1654 CA LYS A 115 11.070 -0.707 9.126 1.00 0.00 C ATOM 1655 C LYS A 115 11.198 0.597 8.334 1.00 0.00 C ATOM 1656 O LYS A 115 11.416 1.654 8.894 1.00 0.00 O ATOM 1657 CB LYS A 115 12.362 -1.517 8.993 1.00 0.00 C ATOM 1658 CG LYS A 115 12.577 -1.905 7.530 1.00 0.00 C ATOM 1659 CD LYS A 115 13.892 -2.674 7.396 1.00 0.00 C ATOM 1660 CE LYS A 115 15.038 -1.829 7.957 1.00 0.00 C ATOM 1661 NZ LYS A 115 15.352 -2.274 9.343 1.00 0.00 N ATOM 0 H LYS A 115 10.184 -2.293 8.003 1.00 0.00 H new ATOM 0 HA LYS A 115 10.894 -0.474 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.208 -0.932 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.307 -2.412 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.747 -2.518 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.600 -1.012 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.828 -3.621 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.081 -2.913 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.920 -1.927 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.761 -0.775 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.449 -1.443 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.584 -2.880 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.243 -2.810 9.342 1.00 0.00 H new ATOM 1675 N LEU A 116 11.066 0.537 7.035 1.00 0.00 N ATOM 1676 CA LEU A 116 11.183 1.778 6.218 1.00 0.00 C ATOM 1677 C LEU A 116 10.244 2.848 6.779 1.00 0.00 C ATOM 1678 O LEU A 116 10.666 3.930 7.137 1.00 0.00 O ATOM 1679 CB LEU A 116 10.805 1.475 4.767 1.00 0.00 C ATOM 1680 CG LEU A 116 11.956 0.733 4.081 1.00 0.00 C ATOM 1681 CD1 LEU A 116 11.425 -0.007 2.852 1.00 0.00 C ATOM 1682 CD2 LEU A 116 13.023 1.739 3.645 1.00 0.00 C ATOM 0 H LEU A 116 10.883 -0.316 6.507 1.00 0.00 H new ATOM 0 HA LEU A 116 12.210 2.141 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.899 0.870 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.588 2.402 4.236 1.00 0.00 H new ATOM 0 HG LEU A 116 12.392 0.017 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.244 -0.535 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.663 -0.723 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 116 10.989 0.710 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.842 1.212 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.586 2.454 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.402 2.269 4.519 1.00 0.00 H new ATOM 1694 N ALA A 117 8.974 2.557 6.864 1.00 0.00 N ATOM 1695 CA ALA A 117 8.027 3.566 7.409 1.00 0.00 C ATOM 1696 C ALA A 117 8.367 3.830 8.875 1.00 0.00 C ATOM 1697 O ALA A 117 8.155 4.908 9.380 1.00 0.00 O ATOM 1698 CB ALA A 117 6.592 3.048 7.310 1.00 0.00 C ATOM 0 H ALA A 117 8.556 1.671 6.582 1.00 0.00 H new ATOM 0 HA ALA A 117 8.114 4.487 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.907 3.795 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 117 6.346 2.855 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.498 2.125 7.882 1.00 0.00 H new ATOM 1704 N ASP A 118 8.897 2.856 9.562 1.00 0.00 N ATOM 1705 CA ASP A 118 9.250 3.069 10.994 1.00 0.00 C ATOM 1706 C ASP A 118 10.149 4.301 11.112 1.00 0.00 C ATOM 1707 O ASP A 118 10.251 4.913 12.157 1.00 0.00 O ATOM 1708 CB ASP A 118 9.992 1.839 11.524 1.00 0.00 C ATOM 1709 CG ASP A 118 9.026 0.967 12.329 1.00 0.00 C ATOM 1710 OD1 ASP A 118 8.326 1.511 13.167 1.00 0.00 O ATOM 1711 OD2 ASP A 118 9.000 -0.229 12.091 1.00 0.00 O ATOM 0 H ASP A 118 9.100 1.926 9.196 1.00 0.00 H new ATOM 0 HA ASP A 118 8.343 3.222 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.409 1.268 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.828 2.148 12.151 1.00 0.00 H new ATOM 1716 N TYR A 119 10.800 4.668 10.043 1.00 0.00 N ATOM 1717 CA TYR A 119 11.697 5.858 10.080 1.00 0.00 C ATOM 1718 C TYR A 119 10.910 7.114 9.695 1.00 0.00 C ATOM 1719 O TYR A 119 11.204 8.204 10.146 1.00 0.00 O ATOM 1720 CB TYR A 119 12.840 5.654 9.085 1.00 0.00 C ATOM 1721 CG TYR A 119 14.035 5.078 9.804 1.00 0.00 C ATOM 1722 CD1 TYR A 119 14.089 3.707 10.081 1.00 0.00 C ATOM 1723 CD2 TYR A 119 15.087 5.912 10.194 1.00 0.00 C ATOM 1724 CE1 TYR A 119 15.196 3.171 10.748 1.00 0.00 C ATOM 1725 CE2 TYR A 119 16.195 5.376 10.861 1.00 0.00 C ATOM 1726 CZ TYR A 119 16.249 4.005 11.138 1.00 0.00 C ATOM 1727 OH TYR A 119 17.342 3.477 11.795 1.00 0.00 O ATOM 0 H TYR A 119 10.749 4.193 9.142 1.00 0.00 H new ATOM 0 HA TYR A 119 12.097 5.979 11.087 1.00 0.00 H new ATOM 0 HB2 TYR A 119 12.525 4.984 8.285 1.00 0.00 H new ATOM 0 HB3 TYR A 119 13.105 6.603 8.619 1.00 0.00 H new ATOM 0 HD1 TYR A 119 13.276 3.063 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 119 15.045 6.970 9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 119 15.237 2.113 10.962 1.00 0.00 H new ATOM 0 HE2 TYR A 119 17.008 6.020 11.162 1.00 0.00 H new ATOM 0 HH TYR A 119 17.982 4.192 11.993 1.00 0.00 H new ATOM 1737 N LEU A 120 9.919 6.977 8.857 1.00 0.00 N ATOM 1738 CA LEU A 120 9.126 8.162 8.438 1.00 0.00 C ATOM 1739 C LEU A 120 8.225 8.616 9.590 1.00 0.00 C ATOM 1740 O LEU A 120 8.034 9.794 9.816 1.00 0.00 O ATOM 1741 CB LEU A 120 8.264 7.771 7.243 1.00 0.00 C ATOM 1742 CG LEU A 120 9.124 7.721 5.980 1.00 0.00 C ATOM 1743 CD1 LEU A 120 9.263 6.269 5.519 1.00 0.00 C ATOM 1744 CD2 LEU A 120 8.453 8.544 4.877 1.00 0.00 C ATOM 0 H LEU A 120 9.625 6.092 8.444 1.00 0.00 H new ATOM 0 HA LEU A 120 9.795 8.979 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.802 6.799 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.455 8.490 7.115 1.00 0.00 H new ATOM 0 HG LEU A 120 10.111 8.132 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.876 6.230 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.736 5.681 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.276 5.859 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.064 8.510 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.467 8.131 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.349 9.578 5.206 1.00 0.00 H new ATOM 1756 N ILE A 121 7.668 7.687 10.314 1.00 0.00 N ATOM 1757 CA ILE A 121 6.778 8.049 11.448 1.00 0.00 C ATOM 1758 C ILE A 121 7.594 8.777 12.518 1.00 0.00 C ATOM 1759 O ILE A 121 7.052 9.403 13.408 1.00 0.00 O ATOM 1760 CB ILE A 121 6.167 6.774 12.038 1.00 0.00 C ATOM 1761 CG1 ILE A 121 5.075 6.247 11.100 1.00 0.00 C ATOM 1762 CG2 ILE A 121 5.554 7.082 13.407 1.00 0.00 C ATOM 1763 CD1 ILE A 121 5.701 5.345 10.032 1.00 0.00 C ATOM 0 H ILE A 121 7.793 6.685 10.167 1.00 0.00 H new ATOM 0 HA ILE A 121 5.979 8.703 11.098 1.00 0.00 H new ATOM 0 HB ILE A 121 6.947 6.021 12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.331 5.690 11.669 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.556 7.080 10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.120 6.173 13.824 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.329 7.455 14.077 1.00 0.00 H new ATOM 0 HG23 ILE A 121 4.776 7.837 13.296 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.921 4.973 9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.428 5.916 9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.200 4.504 10.513 1.00 0.00 H new ATOM 1775 N GLY A 122 8.895 8.701 12.439 1.00 0.00 N ATOM 1776 CA GLY A 122 9.741 9.391 13.451 1.00 0.00 C ATOM 1777 C GLY A 122 9.209 10.808 13.665 1.00 0.00 C ATOM 1778 O GLY A 122 9.234 11.334 14.760 1.00 0.00 O ATOM 0 H GLY A 122 9.407 8.192 11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.729 8.839 14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.777 9.425 13.115 1.00 0.00 H new ATOM 1782 N GLN A 123 8.721 11.425 12.625 1.00 0.00 N ATOM 1783 CA GLN A 123 8.178 12.805 12.763 1.00 0.00 C ATOM 1784 C GLN A 123 6.658 12.761 12.592 1.00 0.00 C ATOM 1785 O GLN A 123 5.912 12.948 13.532 1.00 0.00 O ATOM 1786 CB GLN A 123 8.784 13.722 11.690 1.00 0.00 C ATOM 1787 CG GLN A 123 10.090 13.123 11.160 1.00 0.00 C ATOM 1788 CD GLN A 123 10.569 13.931 9.954 1.00 0.00 C ATOM 1789 OE1 GLN A 123 9.923 13.951 8.924 1.00 0.00 O ATOM 1790 NE2 GLN A 123 11.681 14.609 10.037 1.00 0.00 N ATOM 0 H GLN A 123 8.675 11.033 11.685 1.00 0.00 H new ATOM 0 HA GLN A 123 8.433 13.196 13.748 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.077 13.853 10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.972 14.710 12.110 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.850 13.131 11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.936 12.082 10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.224 14.594 10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.007 15.154 9.239 1.00 0.00 H new ATOM 1799 N GLY A 124 6.195 12.509 11.398 1.00 0.00 N ATOM 1800 CA GLY A 124 4.725 12.445 11.164 1.00 0.00 C ATOM 1801 C GLY A 124 4.345 11.036 10.702 1.00 0.00 C ATOM 1802 O GLY A 124 3.840 10.236 11.465 1.00 0.00 O ATOM 0 H GLY A 124 6.773 12.344 10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.189 12.697 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.433 13.178 10.412 1.00 0.00 H new ATOM 1806 N PHE A 125 4.586 10.729 9.458 1.00 0.00 N ATOM 1807 CA PHE A 125 4.242 9.374 8.943 1.00 0.00 C ATOM 1808 C PHE A 125 5.357 8.874 8.023 1.00 0.00 C ATOM 1809 O PHE A 125 5.894 7.813 8.300 1.00 0.00 O ATOM 1810 CB PHE A 125 2.929 9.443 8.163 1.00 0.00 C ATOM 1811 CG PHE A 125 1.924 8.511 8.790 1.00 0.00 C ATOM 1812 CD1 PHE A 125 2.179 7.136 8.824 1.00 0.00 C ATOM 1813 CD2 PHE A 125 0.739 9.019 9.338 1.00 0.00 C ATOM 1814 CE1 PHE A 125 1.248 6.266 9.404 1.00 0.00 C ATOM 1815 CE2 PHE A 125 -0.192 8.150 9.918 1.00 0.00 C ATOM 1816 CZ PHE A 125 0.063 6.773 9.952 1.00 0.00 C ATOM 1817 OXT PHE A 125 5.656 9.560 7.058 1.00 0.00 O ATOM 0 H PHE A 125 5.007 11.359 8.775 1.00 0.00 H new ATOM 0 HA PHE A 125 4.131 8.687 9.782 1.00 0.00 H new ATOM 0 HB2 PHE A 125 2.546 10.463 8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 125 3.097 9.167 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.094 6.746 8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.544 10.081 9.313 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.444 5.204 9.429 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.107 8.541 10.339 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.654 6.102 10.401 1.00 0.00 H new TER 1827 PHE A 125