USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 723 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 36 GLN : amide:sc= -16.4! C(o=-20!,f=-25!) USER MOD Set 1.2: A 48 ASN : amide:sc= -3.86! C(o=-20!,f=-35!) USER MOD Set 2.1: A 37 CYS SG : rot -148:sc= -12.5! USER MOD Set 2.2: A 47 CYS SG : rot -85:sc= -22.8! USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -0.0103 F(o=-5.1,f=-4.3) USER MOD Set 3.2: A 30 THR OG1 : rot -130:sc= 0 USER MOD Set 3.3: A 32 TYR OH : rot 15:sc= -0.0361 USER MOD Set 3.4: A 103 ASN : amide:sc= -4.24! C(o=-4.3!,f=-4.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.16! USER MOD Single : A 10 SER OG : rot 151:sc= -1.79! USER MOD Single : A 11 SER OG : rot 52:sc= 1.16 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0599 USER MOD Single : A 17 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.233) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.22) USER MOD Single : A 62 SER OG : rot 41:sc= 0.549 USER MOD Single : A 64 SER OG : rot 180:sc= -0.381 USER MOD Single : A 65 THR OG1 : rot 50:sc= -0.384 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= 0.0154 USER MOD Single : A 72 SER OG : rot 60:sc= 1.15 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00102 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.41) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.059 12.287 -5.380 1.00 0.00 N ATOM 12 CA ALA A 2 3.765 11.206 -4.722 1.00 0.00 C ATOM 13 C ALA A 2 5.071 11.725 -4.136 1.00 0.00 C ATOM 14 O ALA A 2 6.001 12.044 -4.874 1.00 0.00 O ATOM 15 CB ALA A 2 4.030 10.087 -5.725 1.00 0.00 C ATOM 0 HA ALA A 2 3.156 10.810 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.561 9.274 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.082 9.717 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.636 10.470 -6.546 1.00 0.00 H new ATOM 21 N PRO A 3 5.138 11.809 -2.806 1.00 0.00 N ATOM 22 CA PRO A 3 6.296 12.278 -2.075 1.00 0.00 C ATOM 23 C PRO A 3 7.396 11.227 -2.135 1.00 0.00 C ATOM 24 O PRO A 3 7.236 10.194 -2.781 1.00 0.00 O ATOM 25 CB PRO A 3 5.803 12.473 -0.643 1.00 0.00 C ATOM 26 CG PRO A 3 4.698 11.426 -0.520 1.00 0.00 C ATOM 27 CD PRO A 3 4.063 11.443 -1.909 1.00 0.00 C ATOM 0 HA PRO A 3 6.712 13.199 -2.484 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.598 12.309 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.424 13.482 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.097 10.443 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.979 11.685 0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.649 10.468 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.244 12.161 -1.960 1.00 0.00 H new ATOM 35 N THR A 4 8.517 11.494 -1.460 1.00 0.00 N ATOM 36 CA THR A 4 9.633 10.570 -1.444 1.00 0.00 C ATOM 37 C THR A 4 9.587 9.723 -0.181 1.00 0.00 C ATOM 38 O THR A 4 9.823 10.224 0.916 1.00 0.00 O ATOM 39 CB THR A 4 10.941 11.353 -1.521 1.00 0.00 C ATOM 40 OG1 THR A 4 11.240 11.636 -2.870 1.00 0.00 O ATOM 41 CG2 THR A 4 12.068 10.523 -0.913 1.00 0.00 C ATOM 0 H THR A 4 8.667 12.346 -0.920 1.00 0.00 H new ATOM 0 HA THR A 4 9.570 9.905 -2.305 1.00 0.00 H new ATOM 0 HB THR A 4 10.839 12.287 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.079 12.140 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.002 11.082 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.837 10.304 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.171 9.589 -1.466 1.00 0.00 H new ATOM 49 N ALA A 5 9.280 8.433 -0.338 1.00 0.00 N ATOM 50 CA ALA A 5 9.203 7.523 0.787 1.00 0.00 C ATOM 51 C ALA A 5 10.084 6.309 0.529 1.00 0.00 C ATOM 52 O ALA A 5 10.046 5.731 -0.555 1.00 0.00 O ATOM 53 CB ALA A 5 7.752 7.102 1.001 1.00 0.00 C ATOM 0 H ALA A 5 9.081 8.002 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 5 9.560 8.021 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.693 6.417 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.144 7.983 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.382 6.604 0.105 1.00 0.00 H new ATOM 59 N THR A 6 10.880 5.922 1.529 1.00 0.00 N ATOM 60 CA THR A 6 11.762 4.780 1.401 1.00 0.00 C ATOM 61 C THR A 6 11.111 3.550 2.015 1.00 0.00 C ATOM 62 O THR A 6 10.889 3.499 3.223 1.00 0.00 O ATOM 63 CB THR A 6 13.091 5.087 2.085 1.00 0.00 C ATOM 64 OG1 THR A 6 12.867 5.938 3.187 1.00 0.00 O ATOM 65 CG2 THR A 6 14.027 5.774 1.095 1.00 0.00 C ATOM 0 H THR A 6 10.925 6.390 2.434 1.00 0.00 H new ATOM 0 HA THR A 6 11.948 4.577 0.346 1.00 0.00 H new ATOM 0 HB THR A 6 13.545 4.158 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.720 6.134 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.976 5.993 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.201 5.117 0.243 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.573 6.703 0.750 1.00 0.00 H new ATOM 73 N VAL A 7 10.805 2.555 1.179 1.00 0.00 N ATOM 74 CA VAL A 7 10.182 1.331 1.641 1.00 0.00 C ATOM 75 C VAL A 7 11.180 0.185 1.564 1.00 0.00 C ATOM 76 O VAL A 7 12.127 0.235 0.783 1.00 0.00 O ATOM 77 CB VAL A 7 8.951 1.035 0.789 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.299 2.347 0.362 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.368 0.248 -0.450 1.00 0.00 C ATOM 0 H VAL A 7 10.983 2.582 0.175 1.00 0.00 H new ATOM 0 HA VAL A 7 9.870 1.446 2.679 1.00 0.00 H new ATOM 0 HB VAL A 7 8.240 0.449 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.420 2.135 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.001 2.910 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.010 2.934 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.489 0.036 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.080 0.835 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.833 -0.690 -0.146 1.00 0.00 H new ATOM 89 N THR A 8 10.966 -0.852 2.377 1.00 0.00 N ATOM 90 CA THR A 8 11.848 -2.001 2.393 1.00 0.00 C ATOM 91 C THR A 8 11.730 -2.763 1.081 1.00 0.00 C ATOM 92 O THR A 8 10.896 -2.433 0.241 1.00 0.00 O ATOM 93 CB THR A 8 11.489 -2.900 3.574 1.00 0.00 C ATOM 94 OG1 THR A 8 12.671 -3.388 4.168 1.00 0.00 O ATOM 95 CG2 THR A 8 10.644 -4.072 3.083 1.00 0.00 C ATOM 0 H THR A 8 10.185 -0.911 3.031 1.00 0.00 H new ATOM 0 HA THR A 8 12.880 -1.669 2.505 1.00 0.00 H new ATOM 0 HB THR A 8 10.923 -2.327 4.308 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.442 -3.964 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.388 -4.714 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.731 -3.695 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.209 -4.646 2.349 1.00 0.00 H new ATOM 103 N PRO A 9 12.569 -3.787 0.907 1.00 0.00 N ATOM 104 CA PRO A 9 12.602 -4.624 -0.273 1.00 0.00 C ATOM 105 C PRO A 9 11.380 -5.531 -0.288 1.00 0.00 C ATOM 106 O PRO A 9 11.201 -6.351 0.610 1.00 0.00 O ATOM 107 CB PRO A 9 13.886 -5.439 -0.139 1.00 0.00 C ATOM 108 CG PRO A 9 14.056 -5.558 1.374 1.00 0.00 C ATOM 109 CD PRO A 9 13.562 -4.202 1.875 1.00 0.00 C ATOM 0 HA PRO A 9 12.586 -4.052 -1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.796 -6.416 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.734 -4.936 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.469 -6.380 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.094 -5.739 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.131 -4.282 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.378 -3.482 1.937 1.00 0.00 H new ATOM 117 N SER A 10 10.537 -5.382 -1.313 1.00 0.00 N ATOM 118 CA SER A 10 9.338 -6.187 -1.438 1.00 0.00 C ATOM 119 C SER A 10 9.415 -7.035 -2.700 1.00 0.00 C ATOM 120 O SER A 10 8.457 -7.100 -3.467 1.00 0.00 O ATOM 121 CB SER A 10 8.115 -5.274 -1.474 1.00 0.00 C ATOM 122 OG SER A 10 7.188 -5.694 -0.499 1.00 0.00 O ATOM 0 H SER A 10 10.671 -4.707 -2.066 1.00 0.00 H new ATOM 0 HA SER A 10 9.252 -6.854 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.412 -4.242 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.657 -5.301 -2.463 1.00 0.00 H new ATOM 0 HG SER A 10 6.668 -4.923 -0.188 1.00 0.00 H new ATOM 128 N SER A 11 10.560 -7.688 -2.913 1.00 0.00 N ATOM 129 CA SER A 11 10.755 -8.529 -4.076 1.00 0.00 C ATOM 130 C SER A 11 11.167 -9.928 -3.640 1.00 0.00 C ATOM 131 O SER A 11 12.306 -10.142 -3.231 1.00 0.00 O ATOM 132 CB SER A 11 11.817 -7.909 -4.980 1.00 0.00 C ATOM 133 OG SER A 11 13.064 -7.933 -4.323 1.00 0.00 O ATOM 0 H SER A 11 11.364 -7.644 -2.287 1.00 0.00 H new ATOM 0 HA SER A 11 9.822 -8.605 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.878 -8.460 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.545 -6.883 -5.229 1.00 0.00 H new ATOM 0 HG SER A 11 13.251 -8.842 -4.009 1.00 0.00 H new ATOM 139 N GLY A 12 10.238 -10.882 -3.729 1.00 0.00 N ATOM 140 CA GLY A 12 10.515 -12.252 -3.344 1.00 0.00 C ATOM 141 C GLY A 12 10.170 -12.466 -1.876 1.00 0.00 C ATOM 142 O GLY A 12 10.767 -13.311 -1.213 1.00 0.00 O ATOM 0 H GLY A 12 9.288 -10.723 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.936 -12.936 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.567 -12.480 -3.515 1.00 0.00 H new ATOM 146 N LEU A 13 9.204 -11.697 -1.370 1.00 0.00 N ATOM 147 CA LEU A 13 8.785 -11.805 0.013 1.00 0.00 C ATOM 148 C LEU A 13 7.549 -12.689 0.111 1.00 0.00 C ATOM 149 O LEU A 13 6.605 -12.527 -0.659 1.00 0.00 O ATOM 150 CB LEU A 13 8.499 -10.413 0.568 1.00 0.00 C ATOM 151 CG LEU A 13 9.570 -9.442 0.081 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.834 -8.393 1.158 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.857 -10.208 -0.210 1.00 0.00 C ATOM 0 H LEU A 13 8.700 -10.992 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 13 9.581 -12.260 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.514 -10.076 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.486 -10.440 1.658 1.00 0.00 H new ATOM 0 HG LEU A 13 9.227 -8.950 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.599 -7.699 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.915 -7.845 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.177 -8.885 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.622 -9.514 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.200 -10.701 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.669 -10.957 -0.980 1.00 0.00 H new ATOM 165 N SER A 14 7.558 -13.626 1.062 1.00 0.00 N ATOM 166 CA SER A 14 6.440 -14.528 1.255 1.00 0.00 C ATOM 167 C SER A 14 5.580 -14.043 2.414 1.00 0.00 C ATOM 168 O SER A 14 6.021 -13.223 3.217 1.00 0.00 O ATOM 169 CB SER A 14 6.964 -15.936 1.522 1.00 0.00 C ATOM 170 OG SER A 14 8.122 -15.862 2.324 1.00 0.00 O ATOM 0 H SER A 14 8.334 -13.773 1.708 1.00 0.00 H new ATOM 0 HA SER A 14 5.824 -14.548 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.200 -16.531 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.192 -16.435 0.580 1.00 0.00 H new ATOM 0 HG SER A 14 8.458 -16.766 2.497 1.00 0.00 H new ATOM 176 N ASP A 15 4.349 -14.553 2.499 1.00 0.00 N ATOM 177 CA ASP A 15 3.435 -14.171 3.557 1.00 0.00 C ATOM 178 C ASP A 15 4.153 -14.217 4.899 1.00 0.00 C ATOM 179 O ASP A 15 4.956 -15.114 5.144 1.00 0.00 O ATOM 180 CB ASP A 15 2.233 -15.110 3.553 1.00 0.00 C ATOM 181 CG ASP A 15 2.359 -16.159 4.649 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.279 -16.996 4.530 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.532 -16.104 5.585 1.00 0.00 O ATOM 0 H ASP A 15 3.969 -15.234 1.841 1.00 0.00 H new ATOM 0 HA ASP A 15 3.083 -13.153 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.318 -14.536 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.153 -15.600 2.583 1.00 0.00 H new ATOM 188 N GLY A 16 3.861 -13.247 5.769 1.00 0.00 N ATOM 189 CA GLY A 16 4.481 -13.188 7.078 1.00 0.00 C ATOM 190 C GLY A 16 5.558 -12.112 7.102 1.00 0.00 C ATOM 191 O GLY A 16 5.918 -11.614 8.167 1.00 0.00 O ATOM 0 H GLY A 16 3.198 -12.495 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.727 -12.975 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.918 -14.156 7.325 1.00 0.00 H new ATOM 195 N THR A 17 6.073 -11.753 5.924 1.00 0.00 N ATOM 196 CA THR A 17 7.103 -10.739 5.821 1.00 0.00 C ATOM 197 C THR A 17 6.512 -9.368 6.112 1.00 0.00 C ATOM 198 O THR A 17 5.334 -9.128 5.855 1.00 0.00 O ATOM 199 CB THR A 17 7.715 -10.778 4.423 1.00 0.00 C ATOM 200 OG1 THR A 17 8.119 -12.095 4.124 1.00 0.00 O ATOM 201 CG2 THR A 17 8.925 -9.850 4.372 1.00 0.00 C ATOM 0 H THR A 17 5.787 -12.155 5.031 1.00 0.00 H new ATOM 0 HA THR A 17 7.886 -10.936 6.553 1.00 0.00 H new ATOM 0 HB THR A 17 6.975 -10.450 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.504 -12.485 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.363 -9.877 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.613 -8.832 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.665 -10.177 5.102 1.00 0.00 H new ATOM 209 N VAL A 18 7.335 -8.465 6.652 1.00 0.00 N ATOM 210 CA VAL A 18 6.893 -7.124 6.976 1.00 0.00 C ATOM 211 C VAL A 18 7.736 -6.107 6.219 1.00 0.00 C ATOM 212 O VAL A 18 8.947 -6.037 6.411 1.00 0.00 O ATOM 213 CB VAL A 18 7.002 -6.903 8.482 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.471 -6.783 8.874 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.267 -5.620 8.862 1.00 0.00 C ATOM 0 H VAL A 18 8.314 -8.649 6.871 1.00 0.00 H new ATOM 0 HA VAL A 18 5.852 -6.998 6.678 1.00 0.00 H new ATOM 0 HB VAL A 18 6.555 -7.747 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.549 -6.625 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.996 -7.699 8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.920 -5.939 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.344 -5.461 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.714 -4.776 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.217 -5.706 8.582 1.00 0.00 H new ATOM 225 N VAL A 19 7.090 -5.318 5.357 1.00 0.00 N ATOM 226 CA VAL A 19 7.781 -4.311 4.577 1.00 0.00 C ATOM 227 C VAL A 19 7.876 -3.018 5.374 1.00 0.00 C ATOM 228 O VAL A 19 7.240 -2.882 6.416 1.00 0.00 O ATOM 229 CB VAL A 19 7.035 -4.085 3.265 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.318 -5.369 2.858 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.013 -2.967 3.449 1.00 0.00 C ATOM 0 H VAL A 19 6.085 -5.364 5.187 1.00 0.00 H new ATOM 0 HA VAL A 19 8.792 -4.650 4.351 1.00 0.00 H new ATOM 0 HB VAL A 19 7.745 -3.805 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.785 -5.207 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.048 -6.168 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.608 -5.651 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.479 -2.804 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.303 -3.247 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.525 -2.050 3.739 1.00 0.00 H new ATOM 241 N LYS A 20 8.674 -2.068 4.881 1.00 0.00 N ATOM 242 CA LYS A 20 8.846 -0.794 5.550 1.00 0.00 C ATOM 243 C LYS A 20 8.423 0.338 4.624 1.00 0.00 C ATOM 244 O LYS A 20 8.486 0.202 3.404 1.00 0.00 O ATOM 245 CB LYS A 20 10.304 -0.633 5.969 1.00 0.00 C ATOM 246 CG LYS A 20 10.376 0.185 7.255 1.00 0.00 C ATOM 247 CD LYS A 20 10.372 1.672 6.914 1.00 0.00 C ATOM 248 CE LYS A 20 11.546 2.357 7.608 1.00 0.00 C ATOM 249 NZ LYS A 20 12.547 2.811 6.630 1.00 0.00 N ATOM 0 H LYS A 20 9.209 -2.166 4.018 1.00 0.00 H new ATOM 0 HA LYS A 20 8.219 -0.760 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.760 -1.611 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.868 -0.138 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.529 -0.054 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.279 -0.069 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.444 1.809 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.433 2.126 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.185 3.208 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.009 1.667 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.196 3.484 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.086 1.993 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.068 3.277 5.833 1.00 0.00 H new ATOM 263 N VAL A 21 7.993 1.459 5.208 1.00 0.00 N ATOM 264 CA VAL A 21 7.563 2.607 4.436 1.00 0.00 C ATOM 265 C VAL A 21 7.915 3.888 5.179 1.00 0.00 C ATOM 266 O VAL A 21 7.360 4.165 6.240 1.00 0.00 O ATOM 267 CB VAL A 21 6.059 2.520 4.190 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.317 3.231 5.318 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.722 3.187 2.860 1.00 0.00 C ATOM 0 H VAL A 21 7.937 1.587 6.218 1.00 0.00 H new ATOM 0 HA VAL A 21 8.075 2.616 3.474 1.00 0.00 H new ATOM 0 HB VAL A 21 5.756 1.473 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.243 3.169 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.558 2.755 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.620 4.278 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.648 3.125 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.025 4.234 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.252 2.679 2.054 1.00 0.00 H new ATOM 279 N ALA A 22 8.840 4.670 4.618 1.00 0.00 N ATOM 280 CA ALA A 22 9.261 5.915 5.229 1.00 0.00 C ATOM 281 C ALA A 22 9.048 7.065 4.255 1.00 0.00 C ATOM 282 O ALA A 22 9.675 7.110 3.199 1.00 0.00 O ATOM 283 CB ALA A 22 10.730 5.812 5.631 1.00 0.00 C ATOM 0 H ALA A 22 9.308 4.454 3.738 1.00 0.00 H new ATOM 0 HA ALA A 22 8.666 6.106 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.048 6.748 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.856 4.997 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.337 5.618 4.746 1.00 0.00 H new ATOM 289 N GLY A 23 8.161 7.997 4.612 1.00 0.00 N ATOM 290 CA GLY A 23 7.874 9.138 3.766 1.00 0.00 C ATOM 291 C GLY A 23 8.899 10.239 3.999 1.00 0.00 C ATOM 292 O GLY A 23 9.351 10.441 5.124 1.00 0.00 O ATOM 0 H GLY A 23 7.633 7.976 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.887 8.835 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.873 9.513 3.977 1.00 0.00 H new ATOM 296 N ALA A 24 9.265 10.951 2.931 1.00 0.00 N ATOM 297 CA ALA A 24 10.233 12.025 3.024 1.00 0.00 C ATOM 298 C ALA A 24 9.864 13.137 2.052 1.00 0.00 C ATOM 299 O ALA A 24 9.922 12.949 0.839 1.00 0.00 O ATOM 300 CB ALA A 24 11.626 11.481 2.719 1.00 0.00 C ATOM 0 H ALA A 24 8.899 10.796 1.992 1.00 0.00 H new ATOM 0 HA ALA A 24 10.231 12.436 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.355 12.288 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.878 10.702 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.641 11.064 1.712 1.00 0.00 H new ATOM 306 N GLY A 25 9.483 14.299 2.588 1.00 0.00 N ATOM 307 CA GLY A 25 9.107 15.430 1.763 1.00 0.00 C ATOM 308 C GLY A 25 7.592 15.519 1.649 1.00 0.00 C ATOM 309 O GLY A 25 7.072 16.165 0.741 1.00 0.00 O ATOM 0 H GLY A 25 9.429 14.473 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.501 16.350 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.548 15.328 0.771 1.00 0.00 H new ATOM 313 N LEU A 26 6.883 14.868 2.574 1.00 0.00 N ATOM 314 CA LEU A 26 5.433 14.875 2.573 1.00 0.00 C ATOM 315 C LEU A 26 4.923 16.035 3.416 1.00 0.00 C ATOM 316 O LEU A 26 5.710 16.832 3.922 1.00 0.00 O ATOM 317 CB LEU A 26 4.918 13.545 3.115 1.00 0.00 C ATOM 318 CG LEU A 26 6.052 12.525 3.121 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.806 12.610 4.445 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.476 11.122 2.953 1.00 0.00 C ATOM 0 H LEU A 26 7.299 14.329 3.333 1.00 0.00 H new ATOM 0 HA LEU A 26 5.067 15.003 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.529 13.678 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.093 13.184 2.500 1.00 0.00 H new ATOM 0 HG LEU A 26 6.736 12.738 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.616 11.881 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.218 13.612 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.123 12.398 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.286 10.393 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.792 10.909 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.938 11.061 2.007 1.00 0.00 H new ATOM 332 N GLN A 27 3.599 16.128 3.567 1.00 0.00 N ATOM 333 CA GLN A 27 2.992 17.188 4.346 1.00 0.00 C ATOM 334 C GLN A 27 3.272 16.967 5.826 1.00 0.00 C ATOM 335 O GLN A 27 2.965 15.907 6.366 1.00 0.00 O ATOM 336 CB GLN A 27 1.490 17.218 4.078 1.00 0.00 C ATOM 337 CG GLN A 27 1.228 17.843 2.711 1.00 0.00 C ATOM 338 CD GLN A 27 -0.216 17.629 2.284 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.649 16.366 2.248 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -0.928 18.587 1.992 1.00 0.00 N flip ATOM 0 H GLN A 27 2.933 15.475 3.155 1.00 0.00 H new ATOM 0 HA GLN A 27 3.419 18.148 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.084 16.207 4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.983 17.791 4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.446 18.910 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.899 17.405 1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.552 19.534 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.895 18.435 1.707 1.00 0.00 H new ATOM 349 N ALA A 28 3.855 17.973 6.481 1.00 0.00 N ATOM 350 CA ALA A 28 4.173 17.884 7.892 1.00 0.00 C ATOM 351 C ALA A 28 2.898 17.994 8.716 1.00 0.00 C ATOM 352 O ALA A 28 2.123 18.932 8.541 1.00 0.00 O ATOM 353 CB ALA A 28 5.154 18.993 8.263 1.00 0.00 C ATOM 0 H ALA A 28 4.114 18.859 6.047 1.00 0.00 H new ATOM 0 HA ALA A 28 4.637 16.921 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.394 18.927 9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.067 18.882 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.703 19.963 8.053 1.00 0.00 H new ATOM 359 N GLY A 29 2.681 17.032 9.616 1.00 0.00 N ATOM 360 CA GLY A 29 1.501 17.030 10.458 1.00 0.00 C ATOM 361 C GLY A 29 0.307 16.481 9.690 1.00 0.00 C ATOM 362 O GLY A 29 -0.820 16.517 10.180 1.00 0.00 O ATOM 0 H GLY A 29 3.313 16.247 9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.681 16.425 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.288 18.043 10.800 1.00 0.00 H new ATOM 366 N THR A 30 0.555 15.970 8.482 1.00 0.00 N ATOM 367 CA THR A 30 -0.501 15.416 7.658 1.00 0.00 C ATOM 368 C THR A 30 -0.686 13.940 7.975 1.00 0.00 C ATOM 369 O THR A 30 0.282 13.233 8.245 1.00 0.00 O ATOM 370 CB THR A 30 -0.151 15.613 6.186 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.145 16.400 5.568 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.075 14.255 5.495 1.00 0.00 C ATOM 0 H THR A 30 1.483 15.932 8.059 1.00 0.00 H new ATOM 0 HA THR A 30 -1.438 15.931 7.869 1.00 0.00 H new ATOM 0 HB THR A 30 0.813 16.116 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.444 15.962 4.744 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.175 14.395 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.693 13.646 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.039 13.752 5.575 1.00 0.00 H new ATOM 380 N ALA A 31 -1.937 13.474 7.942 1.00 0.00 N ATOM 381 CA ALA A 31 -2.245 12.087 8.226 1.00 0.00 C ATOM 382 C ALA A 31 -2.231 11.281 6.935 1.00 0.00 C ATOM 383 O ALA A 31 -2.669 11.766 5.894 1.00 0.00 O ATOM 384 CB ALA A 31 -3.609 11.998 8.904 1.00 0.00 C ATOM 0 H ALA A 31 -2.751 14.047 7.719 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.493 11.673 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.842 10.955 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.590 12.564 9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.371 12.412 8.244 1.00 0.00 H new ATOM 390 N TYR A 32 -1.725 10.048 7.004 1.00 0.00 N ATOM 391 CA TYR A 32 -1.655 9.185 5.842 1.00 0.00 C ATOM 392 C TYR A 32 -2.208 7.810 6.186 1.00 0.00 C ATOM 393 O TYR A 32 -2.057 7.341 7.312 1.00 0.00 O ATOM 394 CB TYR A 32 -0.207 9.084 5.371 1.00 0.00 C ATOM 395 CG TYR A 32 0.300 10.343 4.709 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.383 10.881 3.612 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.455 10.971 5.191 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.088 12.048 2.997 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.926 12.137 4.577 1.00 0.00 C ATOM 400 CZ TYR A 32 1.243 12.676 3.480 1.00 0.00 C ATOM 401 OH TYR A 32 1.702 13.812 2.881 1.00 0.00 O ATOM 0 H TYR A 32 -1.358 9.631 7.860 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.257 9.605 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.429 8.850 6.225 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.118 8.254 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.273 10.396 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.982 10.555 6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.439 12.463 2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.817 12.621 4.949 1.00 0.00 H new ATOM 0 HH TYR A 32 1.003 14.183 2.303 1.00 0.00 H new ATOM 411 N ASP A 33 -2.851 7.162 5.211 1.00 0.00 N ATOM 412 CA ASP A 33 -3.422 5.846 5.416 1.00 0.00 C ATOM 413 C ASP A 33 -2.654 4.818 4.597 1.00 0.00 C ATOM 414 O ASP A 33 -2.696 4.844 3.369 1.00 0.00 O ATOM 415 CB ASP A 33 -4.895 5.864 5.017 1.00 0.00 C ATOM 416 CG ASP A 33 -5.781 6.147 6.222 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.216 6.240 7.333 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.007 6.266 6.009 1.00 0.00 O ATOM 0 H ASP A 33 -2.985 7.536 4.272 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.347 5.572 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.060 6.624 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.168 4.905 4.577 1.00 0.00 H new ATOM 423 N VAL A 34 -1.952 3.911 5.281 1.00 0.00 N ATOM 424 CA VAL A 34 -1.180 2.882 4.615 1.00 0.00 C ATOM 425 C VAL A 34 -1.998 1.601 4.526 1.00 0.00 C ATOM 426 O VAL A 34 -2.760 1.285 5.437 1.00 0.00 O ATOM 427 CB VAL A 34 0.116 2.643 5.383 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.213 2.218 4.411 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.533 3.930 6.090 1.00 0.00 C ATOM 0 H VAL A 34 -1.908 3.876 6.299 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.933 3.204 3.603 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.039 1.856 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.139 2.047 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.916 1.299 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.369 3.004 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.459 3.760 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.688 4.717 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.250 4.234 6.785 1.00 0.00 H new ATOM 439 N GLY A 35 -1.839 0.863 3.424 1.00 0.00 N ATOM 440 CA GLY A 35 -2.565 -0.376 3.228 1.00 0.00 C ATOM 441 C GLY A 35 -2.050 -1.097 1.990 1.00 0.00 C ATOM 442 O GLY A 35 -1.370 -0.500 1.158 1.00 0.00 O ATOM 0 H GLY A 35 -1.212 1.110 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.451 -1.015 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.630 -0.169 3.121 1.00 0.00 H new ATOM 446 N GLN A 36 -2.378 -2.386 1.869 1.00 0.00 N ATOM 447 CA GLN A 36 -1.947 -3.181 0.737 1.00 0.00 C ATOM 448 C GLN A 36 -3.130 -3.453 -0.183 1.00 0.00 C ATOM 449 O GLN A 36 -4.014 -4.237 0.155 1.00 0.00 O ATOM 450 CB GLN A 36 -1.339 -4.488 1.237 1.00 0.00 C ATOM 451 CG GLN A 36 -1.407 -5.537 0.131 1.00 0.00 C ATOM 452 CD GLN A 36 -0.978 -6.902 0.651 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.629 -7.467 1.527 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.121 -7.430 0.108 1.00 0.00 N ATOM 0 H GLN A 36 -2.943 -2.895 2.549 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.191 -2.636 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.304 -4.328 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.877 -4.838 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.423 -5.595 -0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.764 -5.240 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.627 -6.921 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.455 -8.343 0.418 1.00 0.00 H new ATOM 463 N CYS A 37 -3.143 -2.803 -1.349 1.00 0.00 N ATOM 464 CA CYS A 37 -4.213 -2.977 -2.310 1.00 0.00 C ATOM 465 C CYS A 37 -3.710 -3.780 -3.501 1.00 0.00 C ATOM 466 O CYS A 37 -2.570 -3.611 -3.929 1.00 0.00 O ATOM 467 CB CYS A 37 -4.722 -1.609 -2.756 1.00 0.00 C ATOM 468 SG CYS A 37 -5.313 -0.566 -1.400 1.00 0.00 S ATOM 0 H CYS A 37 -2.417 -2.150 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.036 -3.524 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.921 -1.087 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.532 -1.750 -3.472 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.285 0.187 -1.823 1.00 0.00 H new ATOM 473 N ALA A 38 -4.563 -4.657 -4.035 1.00 0.00 N ATOM 474 CA ALA A 38 -4.201 -5.482 -5.170 1.00 0.00 C ATOM 475 C ALA A 38 -5.178 -5.244 -6.312 1.00 0.00 C ATOM 476 O ALA A 38 -6.381 -5.124 -6.088 1.00 0.00 O ATOM 477 CB ALA A 38 -4.203 -6.949 -4.753 1.00 0.00 C ATOM 0 H ALA A 38 -5.511 -4.808 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.201 -5.218 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.931 -7.570 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.482 -7.100 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.198 -7.227 -4.405 1.00 0.00 H new ATOM 483 N TRP A 39 -4.660 -5.175 -7.541 1.00 0.00 N ATOM 484 CA TRP A 39 -5.491 -4.953 -8.706 1.00 0.00 C ATOM 485 C TRP A 39 -6.446 -6.124 -8.893 1.00 0.00 C ATOM 486 O TRP A 39 -6.015 -7.272 -8.974 1.00 0.00 O ATOM 487 CB TRP A 39 -4.605 -4.777 -9.936 1.00 0.00 C ATOM 488 CG TRP A 39 -5.217 -5.229 -11.223 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.534 -5.181 -11.521 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.564 -5.800 -12.398 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.739 -5.679 -12.790 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.555 -6.077 -13.377 1.00 0.00 C ATOM 493 CE3 TRP A 39 -3.235 -6.113 -12.735 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -5.247 -6.633 -14.622 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.915 -6.671 -13.981 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.916 -6.932 -14.925 1.00 0.00 C ATOM 0 H TRP A 39 -3.665 -5.271 -7.746 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.082 -4.048 -8.567 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.340 -3.724 -10.027 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.677 -5.327 -9.779 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.308 -4.809 -10.865 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.652 -5.745 -13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.447 -5.920 -12.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.028 -6.829 -15.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.886 -6.902 -14.215 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.661 -7.362 -15.882 1.00 0.00 H new ATOM 507 N VAL A 40 -7.746 -5.831 -8.960 1.00 0.00 N ATOM 508 CA VAL A 40 -8.754 -6.857 -9.136 1.00 0.00 C ATOM 509 C VAL A 40 -9.280 -6.822 -10.563 1.00 0.00 C ATOM 510 O VAL A 40 -9.343 -7.854 -11.228 1.00 0.00 O ATOM 511 CB VAL A 40 -9.886 -6.634 -8.137 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.213 -6.538 -8.884 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.937 -7.802 -7.157 1.00 0.00 C ATOM 0 H VAL A 40 -8.119 -4.884 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.316 -7.838 -8.955 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.710 -5.708 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.021 -6.379 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.177 -5.703 -9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.390 -7.463 -9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.745 -7.643 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.113 -8.728 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.989 -7.870 -6.623 1.00 0.00 H new ATOM 523 N ASP A 41 -9.657 -5.632 -11.034 1.00 0.00 N ATOM 524 CA ASP A 41 -10.175 -5.470 -12.378 1.00 0.00 C ATOM 525 C ASP A 41 -9.544 -4.248 -13.030 1.00 0.00 C ATOM 526 O ASP A 41 -8.905 -3.444 -12.355 1.00 0.00 O ATOM 527 CB ASP A 41 -11.694 -5.330 -12.323 1.00 0.00 C ATOM 528 CG ASP A 41 -12.368 -6.363 -13.216 1.00 0.00 C ATOM 529 OD1 ASP A 41 -12.067 -6.347 -14.429 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.171 -7.148 -12.668 1.00 0.00 O ATOM 0 H ASP A 41 -9.610 -4.767 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.925 -6.346 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.037 -5.452 -11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.982 -4.327 -12.638 1.00 0.00 H new ATOM 535 N THR A 42 -9.723 -4.110 -14.345 1.00 0.00 N ATOM 536 CA THR A 42 -9.170 -2.987 -15.075 1.00 0.00 C ATOM 537 C THR A 42 -9.533 -1.685 -14.376 1.00 0.00 C ATOM 538 O THR A 42 -10.700 -1.301 -14.338 1.00 0.00 O ATOM 539 CB THR A 42 -9.703 -2.999 -16.505 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.438 -1.756 -17.116 1.00 0.00 O ATOM 541 CG2 THR A 42 -11.209 -3.245 -16.485 1.00 0.00 C ATOM 0 H THR A 42 -10.249 -4.768 -14.920 1.00 0.00 H new ATOM 0 HA THR A 42 -8.083 -3.069 -15.104 1.00 0.00 H new ATOM 0 HB THR A 42 -9.213 -3.793 -17.068 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.779 -1.764 -18.035 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.590 -3.254 -17.506 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.414 -4.206 -16.013 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.700 -2.452 -15.921 1.00 0.00 H new ATOM 549 N GLY A 43 -8.528 -1.003 -13.821 1.00 0.00 N ATOM 550 CA GLY A 43 -8.749 0.250 -13.128 1.00 0.00 C ATOM 551 C GLY A 43 -9.471 0.004 -11.811 1.00 0.00 C ATOM 552 O GLY A 43 -9.883 0.948 -11.140 1.00 0.00 O ATOM 0 H GLY A 43 -7.554 -1.306 -13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.795 0.743 -12.941 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.338 0.921 -13.754 1.00 0.00 H new ATOM 556 N VAL A 44 -9.623 -1.270 -11.442 1.00 0.00 N ATOM 557 CA VAL A 44 -10.293 -1.634 -10.210 1.00 0.00 C ATOM 558 C VAL A 44 -9.356 -2.458 -9.338 1.00 0.00 C ATOM 559 O VAL A 44 -8.956 -3.556 -9.719 1.00 0.00 O ATOM 560 CB VAL A 44 -11.561 -2.419 -10.534 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.210 -2.895 -9.237 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.535 -1.521 -11.291 1.00 0.00 C ATOM 0 H VAL A 44 -9.286 -2.064 -11.987 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.570 -0.733 -9.662 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.307 -3.281 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.116 -3.456 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.514 -3.536 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.464 -2.033 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.441 -2.081 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.789 -0.659 -10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.072 -1.181 -12.217 1.00 0.00 H new ATOM 572 N LEU A 45 -9.007 -1.926 -8.164 1.00 0.00 N ATOM 573 CA LEU A 45 -8.121 -2.613 -7.246 1.00 0.00 C ATOM 574 C LEU A 45 -8.779 -2.723 -5.878 1.00 0.00 C ATOM 575 O LEU A 45 -9.356 -1.757 -5.385 1.00 0.00 O ATOM 576 CB LEU A 45 -6.800 -1.855 -7.151 1.00 0.00 C ATOM 577 CG LEU A 45 -6.851 -0.892 -5.969 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.432 -0.595 -5.493 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.526 0.407 -6.399 1.00 0.00 C ATOM 0 H LEU A 45 -9.331 -1.017 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.921 -3.620 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.974 -2.556 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.616 -1.305 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.419 -1.345 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.468 0.093 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.950 -1.523 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.863 -0.143 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.562 1.095 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.959 0.860 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.540 0.195 -6.738 1.00 0.00 H new ATOM 591 N ALA A 46 -8.690 -3.906 -5.265 1.00 0.00 N ATOM 592 CA ALA A 46 -9.276 -4.137 -3.960 1.00 0.00 C ATOM 593 C ALA A 46 -8.261 -3.808 -2.874 1.00 0.00 C ATOM 594 O ALA A 46 -7.060 -3.781 -3.132 1.00 0.00 O ATOM 595 CB ALA A 46 -9.728 -5.590 -3.857 1.00 0.00 C ATOM 0 H ALA A 46 -8.214 -4.716 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.143 -3.491 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.169 -5.765 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.469 -5.796 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.870 -6.248 -3.992 1.00 0.00 H new ATOM 601 N CYS A 47 -8.748 -3.558 -1.656 1.00 0.00 N ATOM 602 CA CYS A 47 -7.884 -3.233 -0.539 1.00 0.00 C ATOM 603 C CYS A 47 -7.991 -4.316 0.525 1.00 0.00 C ATOM 604 O CYS A 47 -9.023 -4.971 0.646 1.00 0.00 O ATOM 605 CB CYS A 47 -8.280 -1.874 0.030 1.00 0.00 C ATOM 606 SG CYS A 47 -7.663 -0.467 -0.927 1.00 0.00 S ATOM 0 H CYS A 47 -9.742 -3.577 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.849 -3.183 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.367 -1.816 0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.908 -1.797 1.051 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.449 -0.188 -0.555 1.00 0.00 H new ATOM 611 N ASN A 48 -6.918 -4.503 1.298 1.00 0.00 N ATOM 612 CA ASN A 48 -6.899 -5.504 2.346 1.00 0.00 C ATOM 613 C ASN A 48 -6.855 -4.827 3.709 1.00 0.00 C ATOM 614 O ASN A 48 -5.820 -4.298 4.109 1.00 0.00 O ATOM 615 CB ASN A 48 -5.689 -6.414 2.155 1.00 0.00 C ATOM 616 CG ASN A 48 -5.461 -7.280 3.386 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.389 -7.530 4.152 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.222 -7.739 3.575 1.00 0.00 N ATOM 0 H ASN A 48 -6.054 -3.969 1.211 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.805 -6.108 2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.840 -7.049 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.802 -5.811 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.013 -8.325 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.484 -7.504 2.911 1.00 0.00 H new ATOM 625 N PRO A 49 -7.983 -4.847 4.423 1.00 0.00 N ATOM 626 CA PRO A 49 -8.127 -4.258 5.736 1.00 0.00 C ATOM 627 C PRO A 49 -7.382 -5.103 6.759 1.00 0.00 C ATOM 628 O PRO A 49 -7.357 -4.771 7.942 1.00 0.00 O ATOM 629 CB PRO A 49 -9.630 -4.269 6.007 1.00 0.00 C ATOM 630 CG PRO A 49 -10.106 -5.491 5.224 1.00 0.00 C ATOM 631 CD PRO A 49 -9.217 -5.461 3.983 1.00 0.00 C ATOM 0 HA PRO A 49 -7.716 -3.250 5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.849 -4.360 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.110 -3.354 5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.977 -6.412 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.163 -5.421 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.043 -6.466 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.679 -4.887 3.180 1.00 0.00 H new ATOM 639 N ALA A 50 -6.774 -6.200 6.301 1.00 0.00 N ATOM 640 CA ALA A 50 -6.035 -7.087 7.176 1.00 0.00 C ATOM 641 C ALA A 50 -4.579 -6.650 7.243 1.00 0.00 C ATOM 642 O ALA A 50 -3.818 -7.145 8.072 1.00 0.00 O ATOM 643 CB ALA A 50 -6.148 -8.519 6.661 1.00 0.00 C ATOM 0 H ALA A 50 -6.785 -6.488 5.323 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.453 -7.043 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.592 -9.187 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.196 -8.817 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.736 -8.577 5.653 1.00 0.00 H new ATOM 649 N ASP A 51 -4.192 -5.721 6.367 1.00 0.00 N ATOM 650 CA ASP A 51 -2.831 -5.224 6.330 1.00 0.00 C ATOM 651 C ASP A 51 -2.839 -3.708 6.196 1.00 0.00 C ATOM 652 O ASP A 51 -1.896 -3.125 5.667 1.00 0.00 O ATOM 653 CB ASP A 51 -2.088 -5.866 5.162 1.00 0.00 C ATOM 654 CG ASP A 51 -1.739 -7.315 5.470 1.00 0.00 C ATOM 655 OD1 ASP A 51 -2.045 -7.744 6.604 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.173 -7.967 4.566 1.00 0.00 O ATOM 0 H ASP A 51 -4.811 -5.301 5.674 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.319 -5.484 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.704 -5.819 4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.177 -5.305 4.953 1.00 0.00 H new ATOM 661 N PHE A 52 -3.908 -3.070 6.679 1.00 0.00 N ATOM 662 CA PHE A 52 -4.031 -1.628 6.610 1.00 0.00 C ATOM 663 C PHE A 52 -3.579 -1.007 7.924 1.00 0.00 C ATOM 664 O PHE A 52 -4.132 -1.311 8.979 1.00 0.00 O ATOM 665 CB PHE A 52 -5.479 -1.255 6.305 1.00 0.00 C ATOM 666 CG PHE A 52 -6.240 -0.757 7.510 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.841 0.420 8.153 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.346 -1.473 7.983 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.548 0.883 9.269 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.054 -1.010 9.100 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.654 0.168 9.742 1.00 0.00 C ATOM 0 H PHE A 52 -4.698 -3.539 7.122 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.395 -1.244 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.493 -0.485 5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.992 -2.126 5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.987 0.972 7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.653 -2.382 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.240 1.792 9.765 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.908 -1.561 9.465 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.199 0.525 10.603 1.00 0.00 H new ATOM 681 N SER A 53 -2.570 -0.135 7.859 1.00 0.00 N ATOM 682 CA SER A 53 -2.052 0.523 9.042 1.00 0.00 C ATOM 683 C SER A 53 -2.302 2.021 8.951 1.00 0.00 C ATOM 684 O SER A 53 -2.974 2.487 8.033 1.00 0.00 O ATOM 685 CB SER A 53 -0.560 0.230 9.173 1.00 0.00 C ATOM 686 OG SER A 53 -0.053 0.883 10.315 1.00 0.00 O ATOM 0 H SER A 53 -2.100 0.127 6.993 1.00 0.00 H new ATOM 0 HA SER A 53 -2.563 0.144 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.395 -0.845 9.252 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.032 0.569 8.282 1.00 0.00 H new ATOM 0 HG SER A 53 0.905 0.694 10.401 1.00 0.00 H new ATOM 692 N SER A 54 -1.758 2.778 9.907 1.00 0.00 N ATOM 693 CA SER A 54 -1.922 4.217 9.928 1.00 0.00 C ATOM 694 C SER A 54 -0.665 4.873 10.482 1.00 0.00 C ATOM 695 O SER A 54 0.100 4.240 11.207 1.00 0.00 O ATOM 696 CB SER A 54 -3.139 4.577 10.775 1.00 0.00 C ATOM 697 OG SER A 54 -2.950 4.107 12.091 1.00 0.00 O ATOM 0 H SER A 54 -1.199 2.408 10.676 1.00 0.00 H new ATOM 0 HA SER A 54 -2.081 4.583 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.285 5.657 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.038 4.136 10.345 1.00 0.00 H new ATOM 0 HG SER A 54 -3.730 4.339 12.637 1.00 0.00 H new ATOM 703 N VAL A 55 -0.455 6.146 10.141 1.00 0.00 N ATOM 704 CA VAL A 55 0.705 6.881 10.605 1.00 0.00 C ATOM 705 C VAL A 55 0.518 8.366 10.327 1.00 0.00 C ATOM 706 O VAL A 55 -0.262 8.743 9.456 1.00 0.00 O ATOM 707 CB VAL A 55 1.954 6.352 9.907 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.760 6.420 8.395 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.157 7.204 10.304 1.00 0.00 C ATOM 0 H VAL A 55 -1.081 6.684 9.542 1.00 0.00 H new ATOM 0 HA VAL A 55 0.822 6.745 11.680 1.00 0.00 H new ATOM 0 HB VAL A 55 2.126 5.318 10.205 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.652 6.042 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.901 5.813 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.588 7.454 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.050 6.827 9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.985 8.238 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.296 7.156 11.384 1.00 0.00 H new ATOM 719 N THR A 56 1.238 9.210 11.070 1.00 0.00 N ATOM 720 CA THR A 56 1.146 10.645 10.896 1.00 0.00 C ATOM 721 C THR A 56 2.538 11.238 10.729 1.00 0.00 C ATOM 722 O THR A 56 3.463 10.869 11.449 1.00 0.00 O ATOM 723 CB THR A 56 0.439 11.259 12.101 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.774 10.577 12.331 1.00 0.00 O ATOM 725 CG2 THR A 56 0.149 12.732 11.826 1.00 0.00 C ATOM 0 H THR A 56 1.890 8.915 11.797 1.00 0.00 H new ATOM 0 HA THR A 56 0.569 10.868 9.999 1.00 0.00 H new ATOM 0 HB THR A 56 1.078 11.173 12.980 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.228 10.969 13.106 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.356 13.170 12.687 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.086 13.260 11.647 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.490 12.819 10.947 1.00 0.00 H new ATOM 733 N ALA A 57 2.684 12.160 9.775 1.00 0.00 N ATOM 734 CA ALA A 57 3.960 12.798 9.517 1.00 0.00 C ATOM 735 C ALA A 57 4.242 13.839 10.591 1.00 0.00 C ATOM 736 O ALA A 57 3.388 14.670 10.891 1.00 0.00 O ATOM 737 CB ALA A 57 3.935 13.441 8.133 1.00 0.00 C ATOM 0 H ALA A 57 1.926 12.477 9.170 1.00 0.00 H new ATOM 0 HA ALA A 57 4.756 12.054 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.894 13.921 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.752 12.675 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.141 14.187 8.092 1.00 0.00 H new ATOM 743 N ASP A 58 5.444 13.791 11.170 1.00 0.00 N ATOM 744 CA ASP A 58 5.830 14.727 12.206 1.00 0.00 C ATOM 745 C ASP A 58 6.065 16.102 11.597 1.00 0.00 C ATOM 746 O ASP A 58 5.882 16.290 10.396 1.00 0.00 O ATOM 747 CB ASP A 58 7.090 14.222 12.903 1.00 0.00 C ATOM 748 CG ASP A 58 8.156 13.835 11.887 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.221 14.522 10.844 1.00 0.00 O ATOM 750 OD2 ASP A 58 8.884 12.860 12.171 1.00 0.00 O ATOM 0 H ASP A 58 6.163 13.108 10.932 1.00 0.00 H new ATOM 0 HA ASP A 58 5.031 14.810 12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.478 14.995 13.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.846 13.361 13.525 1.00 0.00 H new ATOM 755 N ALA A 59 6.472 17.064 12.428 1.00 0.00 N ATOM 756 CA ALA A 59 6.728 18.414 11.968 1.00 0.00 C ATOM 757 C ALA A 59 7.844 18.403 10.933 1.00 0.00 C ATOM 758 O ALA A 59 8.022 19.373 10.200 1.00 0.00 O ATOM 759 CB ALA A 59 7.103 19.293 13.158 1.00 0.00 C ATOM 0 H ALA A 59 6.629 16.923 13.426 1.00 0.00 H new ATOM 0 HA ALA A 59 5.831 18.820 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.296 20.309 12.813 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.283 19.303 13.876 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.999 18.896 13.636 1.00 0.00 H new ATOM 765 N ASN A 60 8.596 17.301 10.874 1.00 0.00 N ATOM 766 CA ASN A 60 9.687 17.172 9.930 1.00 0.00 C ATOM 767 C ASN A 60 9.163 16.654 8.598 1.00 0.00 C ATOM 768 O ASN A 60 9.942 16.342 7.700 1.00 0.00 O ATOM 769 CB ASN A 60 10.741 16.227 10.500 1.00 0.00 C ATOM 770 CG ASN A 60 12.140 16.659 10.084 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.534 17.800 10.318 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.892 15.744 9.469 1.00 0.00 N ATOM 0 H ASN A 60 8.461 16.488 11.475 1.00 0.00 H new ATOM 0 HA ASN A 60 10.143 18.148 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.670 16.210 11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.551 15.212 10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.839 15.979 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.520 14.810 9.297 1.00 0.00 H new ATOM 779 N GLY A 61 7.837 16.564 8.471 1.00 0.00 N ATOM 780 CA GLY A 61 7.221 16.085 7.250 1.00 0.00 C ATOM 781 C GLY A 61 7.735 14.693 6.909 1.00 0.00 C ATOM 782 O GLY A 61 7.856 14.343 5.738 1.00 0.00 O ATOM 0 H GLY A 61 7.176 16.819 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.137 16.061 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.439 16.771 6.431 1.00 0.00 H new ATOM 786 N SER A 62 8.040 13.900 7.939 1.00 0.00 N ATOM 787 CA SER A 62 8.538 12.553 7.744 1.00 0.00 C ATOM 788 C SER A 62 7.770 11.584 8.632 1.00 0.00 C ATOM 789 O SER A 62 7.540 11.864 9.806 1.00 0.00 O ATOM 790 CB SER A 62 10.030 12.513 8.064 1.00 0.00 C ATOM 791 OG SER A 62 10.550 11.249 7.719 1.00 0.00 O ATOM 0 H SER A 62 7.947 14.177 8.916 1.00 0.00 H new ATOM 0 HA SER A 62 8.393 12.254 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.552 13.296 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.191 12.707 9.124 1.00 0.00 H new ATOM 0 HG SER A 62 10.167 10.960 6.865 1.00 0.00 H new ATOM 797 N ALA A 63 7.374 10.441 8.067 1.00 0.00 N ATOM 798 CA ALA A 63 6.635 9.438 8.807 1.00 0.00 C ATOM 799 C ALA A 63 7.342 8.095 8.701 1.00 0.00 C ATOM 800 O ALA A 63 8.233 7.924 7.872 1.00 0.00 O ATOM 801 CB ALA A 63 5.214 9.347 8.258 1.00 0.00 C ATOM 0 H ALA A 63 7.558 10.194 7.095 1.00 0.00 H new ATOM 0 HA ALA A 63 6.586 9.718 9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.657 8.593 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.721 10.313 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.248 9.070 7.204 1.00 0.00 H new ATOM 807 N SER A 64 6.943 7.140 9.545 1.00 0.00 N ATOM 808 CA SER A 64 7.540 5.819 9.540 1.00 0.00 C ATOM 809 C SER A 64 6.521 4.791 10.013 1.00 0.00 C ATOM 810 O SER A 64 5.916 4.954 11.070 1.00 0.00 O ATOM 811 CB SER A 64 8.771 5.815 10.441 1.00 0.00 C ATOM 812 OG SER A 64 9.522 6.987 10.215 1.00 0.00 O ATOM 0 H SER A 64 6.206 7.266 10.239 1.00 0.00 H new ATOM 0 HA SER A 64 7.847 5.558 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.469 5.760 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.381 4.935 10.238 1.00 0.00 H new ATOM 0 HG SER A 64 10.312 6.986 10.795 1.00 0.00 H new ATOM 818 N THR A 65 6.334 3.729 9.227 1.00 0.00 N ATOM 819 CA THR A 65 5.393 2.683 9.572 1.00 0.00 C ATOM 820 C THR A 65 5.792 1.380 8.894 1.00 0.00 C ATOM 821 O THR A 65 6.671 1.369 8.035 1.00 0.00 O ATOM 822 CB THR A 65 3.988 3.104 9.150 1.00 0.00 C ATOM 823 OG1 THR A 65 3.164 3.201 10.289 1.00 0.00 O ATOM 824 CG2 THR A 65 3.412 2.065 8.192 1.00 0.00 C ATOM 0 H THR A 65 6.827 3.578 8.347 1.00 0.00 H new ATOM 0 HA THR A 65 5.403 2.524 10.650 1.00 0.00 H new ATOM 0 HB THR A 65 4.033 4.072 8.652 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.614 3.738 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.409 2.365 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.049 1.990 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.367 1.096 8.690 1.00 0.00 H new ATOM 832 N SER A 66 5.143 0.281 9.282 1.00 0.00 N ATOM 833 CA SER A 66 5.432 -1.019 8.710 1.00 0.00 C ATOM 834 C SER A 66 4.190 -1.568 8.022 1.00 0.00 C ATOM 835 O SER A 66 3.098 -1.534 8.586 1.00 0.00 O ATOM 836 CB SER A 66 5.903 -1.965 9.811 1.00 0.00 C ATOM 837 OG SER A 66 5.962 -1.268 11.035 1.00 0.00 O ATOM 0 H SER A 66 4.412 0.274 9.993 1.00 0.00 H new ATOM 0 HA SER A 66 6.223 -0.925 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.221 -2.811 9.895 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.884 -2.369 9.563 1.00 0.00 H new ATOM 0 HG SER A 66 6.263 -1.875 11.743 1.00 0.00 H new ATOM 843 N LEU A 67 4.359 -2.077 6.799 1.00 0.00 N ATOM 844 CA LEU A 67 3.255 -2.631 6.042 1.00 0.00 C ATOM 845 C LEU A 67 3.477 -4.120 5.819 1.00 0.00 C ATOM 846 O LEU A 67 4.459 -4.518 5.197 1.00 0.00 O ATOM 847 CB LEU A 67 3.134 -1.898 4.709 1.00 0.00 C ATOM 848 CG LEU A 67 1.682 -1.928 4.241 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.222 -3.377 4.103 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.804 -1.211 5.263 1.00 0.00 C ATOM 0 H LEU A 67 5.258 -2.113 6.318 1.00 0.00 H new ATOM 0 HA LEU A 67 2.327 -2.501 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.471 -0.867 4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.777 -2.367 3.964 1.00 0.00 H new ATOM 0 HG LEU A 67 1.600 -1.427 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.185 -3.399 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.849 -3.890 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.303 -3.878 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.234 -1.232 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.885 -1.712 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.132 -0.176 5.363 1.00 0.00 H new ATOM 862 N THR A 68 2.560 -4.946 6.330 1.00 0.00 N ATOM 863 CA THR A 68 2.663 -6.383 6.182 1.00 0.00 C ATOM 864 C THR A 68 2.233 -6.793 4.780 1.00 0.00 C ATOM 865 O THR A 68 1.238 -6.291 4.262 1.00 0.00 O ATOM 866 CB THR A 68 1.795 -7.066 7.235 1.00 0.00 C ATOM 867 OG1 THR A 68 1.369 -8.320 6.751 1.00 0.00 O ATOM 868 CG2 THR A 68 0.577 -6.196 7.532 1.00 0.00 C ATOM 0 H THR A 68 1.740 -4.634 6.849 1.00 0.00 H new ATOM 0 HA THR A 68 3.698 -6.692 6.326 1.00 0.00 H new ATOM 0 HB THR A 68 2.374 -7.206 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.403 -8.979 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.044 -6.683 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.905 -5.226 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.002 -6.057 6.619 1.00 0.00 H new ATOM 876 N VAL A 69 2.987 -7.709 4.168 1.00 0.00 N ATOM 877 CA VAL A 69 2.682 -8.181 2.832 1.00 0.00 C ATOM 878 C VAL A 69 2.153 -9.607 2.899 1.00 0.00 C ATOM 879 O VAL A 69 2.798 -10.484 3.468 1.00 0.00 O ATOM 880 CB VAL A 69 3.939 -8.111 1.970 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.171 -8.054 2.868 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.015 -9.348 1.080 1.00 0.00 C ATOM 0 H VAL A 69 3.815 -8.135 4.585 1.00 0.00 H new ATOM 0 HA VAL A 69 1.915 -7.550 2.384 1.00 0.00 H new ATOM 0 HB VAL A 69 3.902 -7.217 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.069 -8.004 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.118 -7.170 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.208 -8.947 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.913 -9.298 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.051 -10.242 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.136 -9.388 0.437 1.00 0.00 H new ATOM 892 N ARG A 70 0.974 -9.835 2.316 1.00 0.00 N ATOM 893 CA ARG A 70 0.364 -11.150 2.312 1.00 0.00 C ATOM 894 C ARG A 70 0.398 -11.730 0.906 1.00 0.00 C ATOM 895 O ARG A 70 0.697 -11.022 -0.053 1.00 0.00 O ATOM 896 CB ARG A 70 -1.071 -11.045 2.819 1.00 0.00 C ATOM 897 CG ARG A 70 -1.123 -11.451 4.289 1.00 0.00 C ATOM 898 CD ARG A 70 0.121 -10.932 5.004 1.00 0.00 C ATOM 899 NE ARG A 70 -0.148 -10.700 6.424 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.195 -11.691 7.325 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.010 -12.958 6.939 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.447 -11.416 8.612 1.00 0.00 N ATOM 0 H ARG A 70 0.427 -9.117 1.841 1.00 0.00 H new ATOM 0 HA ARG A 70 0.921 -11.816 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.436 -10.025 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.724 -11.689 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.020 -11.047 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.179 -12.536 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.933 -11.651 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.453 -10.005 4.537 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.306 -9.744 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.202 -13.168 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.026 -13.712 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.603 -10.452 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.483 -12.171 9.297 1.00 0.00 H new ATOM 916 N ARG A 71 0.091 -13.024 0.785 1.00 0.00 N ATOM 917 CA ARG A 71 0.088 -13.692 -0.501 1.00 0.00 C ATOM 918 C ARG A 71 -1.328 -13.739 -1.055 1.00 0.00 C ATOM 919 O ARG A 71 -1.525 -13.995 -2.241 1.00 0.00 O ATOM 920 CB ARG A 71 0.654 -15.100 -0.342 1.00 0.00 C ATOM 921 CG ARG A 71 -0.061 -15.809 0.805 1.00 0.00 C ATOM 922 CD ARG A 71 -0.478 -17.208 0.358 1.00 0.00 C ATOM 923 NE ARG A 71 -1.725 -17.616 1.004 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.485 -18.620 0.546 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.112 -19.297 -0.549 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.619 -18.946 1.181 1.00 0.00 N ATOM 0 H ARG A 71 -0.158 -13.625 1.571 1.00 0.00 H new ATOM 0 HA ARG A 71 0.713 -13.140 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.526 -15.662 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.725 -15.053 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.596 -15.874 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.937 -15.237 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.603 -17.225 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.311 -17.921 0.599 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.029 -17.115 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.250 -19.048 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.690 -20.061 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.904 -18.430 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.197 -19.710 0.832 1.00 0.00 H new ATOM 940 N SER A 72 -2.317 -13.491 -0.192 1.00 0.00 N ATOM 941 CA SER A 72 -3.707 -13.506 -0.600 1.00 0.00 C ATOM 942 C SER A 72 -4.572 -12.892 0.492 1.00 0.00 C ATOM 943 O SER A 72 -4.274 -13.032 1.676 1.00 0.00 O ATOM 944 CB SER A 72 -4.137 -14.941 -0.888 1.00 0.00 C ATOM 945 OG SER A 72 -5.491 -14.956 -1.282 1.00 0.00 O ATOM 0 H SER A 72 -2.171 -13.278 0.795 1.00 0.00 H new ATOM 0 HA SER A 72 -3.830 -12.915 -1.508 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.514 -15.368 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.999 -15.559 -0.001 1.00 0.00 H new ATOM 0 HG SER A 72 -5.603 -14.412 -2.089 1.00 0.00 H new ATOM 951 N PHE A 73 -5.649 -12.211 0.091 1.00 0.00 N ATOM 952 CA PHE A 73 -6.549 -11.583 1.037 1.00 0.00 C ATOM 953 C PHE A 73 -7.718 -10.950 0.294 1.00 0.00 C ATOM 954 O PHE A 73 -7.580 -10.553 -0.860 1.00 0.00 O ATOM 955 CB PHE A 73 -5.788 -10.535 1.843 1.00 0.00 C ATOM 956 CG PHE A 73 -4.880 -9.670 1.002 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.427 -8.757 0.093 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.490 -9.780 1.133 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.584 -7.954 -0.685 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.648 -8.977 0.355 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.195 -8.064 -0.554 1.00 0.00 C ATOM 0 H PHE A 73 -5.911 -12.086 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.944 -12.333 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.504 -9.898 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.194 -11.037 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.499 -8.672 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.068 -10.484 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.006 -7.249 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.576 -9.062 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.545 -7.444 -1.154 1.00 0.00 H new ATOM 971 N GLU A 74 -8.871 -10.856 0.961 1.00 0.00 N ATOM 972 CA GLU A 74 -10.053 -10.271 0.360 1.00 0.00 C ATOM 973 C GLU A 74 -9.727 -8.888 -0.188 1.00 0.00 C ATOM 974 O GLU A 74 -9.381 -7.984 0.569 1.00 0.00 O ATOM 975 CB GLU A 74 -11.165 -10.191 1.402 1.00 0.00 C ATOM 976 CG GLU A 74 -10.653 -9.455 2.637 1.00 0.00 C ATOM 977 CD GLU A 74 -10.441 -10.419 3.795 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.465 -10.874 4.350 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.259 -10.684 4.104 1.00 0.00 O ATOM 0 H GLU A 74 -9.002 -11.181 1.919 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.390 -10.896 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.029 -9.671 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.496 -11.193 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.716 -8.951 2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.366 -8.683 2.927 1.00 0.00 H new ATOM 986 N GLY A 75 -9.838 -8.726 -1.508 1.00 0.00 N ATOM 987 CA GLY A 75 -9.555 -7.455 -2.145 1.00 0.00 C ATOM 988 C GLY A 75 -10.714 -6.490 -1.934 1.00 0.00 C ATOM 989 O GLY A 75 -11.744 -6.599 -2.595 1.00 0.00 O ATOM 0 H GLY A 75 -10.123 -9.465 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.639 -7.030 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.386 -7.604 -3.211 1.00 0.00 H new ATOM 993 N PHE A 76 -10.542 -5.542 -1.010 1.00 0.00 N ATOM 994 CA PHE A 76 -11.572 -4.566 -0.718 1.00 0.00 C ATOM 995 C PHE A 76 -11.486 -3.413 -1.708 1.00 0.00 C ATOM 996 O PHE A 76 -10.645 -2.529 -1.562 1.00 0.00 O ATOM 997 CB PHE A 76 -11.406 -4.064 0.713 1.00 0.00 C ATOM 998 CG PHE A 76 -12.435 -4.617 1.670 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.699 -4.023 1.759 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.126 -5.727 2.465 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.654 -4.537 2.644 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.080 -6.242 3.350 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.344 -5.647 3.440 1.00 0.00 C ATOM 0 H PHE A 76 -9.693 -5.437 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.554 -5.029 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.411 -4.330 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.466 -2.976 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.938 -3.168 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.151 -6.186 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.629 -4.078 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.841 -7.098 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.080 -6.044 4.123 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.359 -3.424 -2.718 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.377 -2.381 -3.725 1.00 0.00 C ATOM 1015 C LEU A 77 -12.498 -1.019 -3.057 1.00 0.00 C ATOM 1016 O LEU A 77 -13.332 -0.830 -2.174 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.542 -2.619 -4.681 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.048 -1.280 -5.209 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.959 -0.619 -6.049 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.287 -1.508 -6.070 1.00 0.00 C ATOM 0 H LEU A 77 -13.062 -4.150 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.447 -2.403 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.223 -3.252 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.346 -3.147 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.303 -0.632 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.321 0.338 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.074 -0.455 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.703 -1.266 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.649 -0.552 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.033 -2.156 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.065 -1.979 -5.470 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.662 -0.069 -3.480 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.681 1.268 -2.920 1.00 0.00 C ATOM 1034 C PHE A 78 -13.114 1.776 -2.845 1.00 0.00 C ATOM 1035 O PHE A 78 -13.482 2.463 -1.895 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.824 2.191 -3.782 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.433 2.407 -3.235 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.583 1.314 -3.033 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.994 3.702 -2.932 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.293 1.516 -2.527 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.704 3.903 -2.427 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.854 2.810 -2.224 1.00 0.00 C ATOM 0 H PHE A 78 -10.964 -0.209 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.270 1.250 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.750 1.773 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.323 3.156 -3.875 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.922 0.316 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.651 4.545 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.636 0.673 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.365 4.902 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.859 2.965 -1.833 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.923 1.436 -3.851 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.308 1.859 -3.894 1.00 0.00 C ATOM 1054 C ASP A 79 -16.032 1.381 -2.644 1.00 0.00 C ATOM 1055 O ASP A 79 -17.108 1.877 -2.319 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.971 1.300 -5.150 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.959 2.299 -5.735 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -18.109 2.313 -5.246 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.545 3.031 -6.660 1.00 0.00 O ATOM 0 H ASP A 79 -13.633 0.866 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.359 2.947 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.209 1.060 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.487 0.370 -4.910 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.438 0.414 -1.940 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.033 -0.121 -0.731 1.00 0.00 C ATOM 1066 C GLY A 80 -16.800 -1.399 -1.042 1.00 0.00 C ATOM 1067 O GLY A 80 -17.756 -1.737 -0.347 1.00 0.00 O ATOM 0 H GLY A 80 -14.545 -0.009 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.256 -0.325 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.704 0.616 -0.291 1.00 0.00 H new ATOM 1071 N THR A 81 -16.378 -2.110 -2.090 1.00 0.00 N ATOM 1072 CA THR A 81 -17.028 -3.344 -2.483 1.00 0.00 C ATOM 1073 C THR A 81 -16.068 -4.513 -2.313 1.00 0.00 C ATOM 1074 O THR A 81 -14.855 -4.344 -2.414 1.00 0.00 O ATOM 1075 CB THR A 81 -17.494 -3.234 -3.932 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.733 -2.563 -3.977 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.650 -4.631 -4.525 1.00 0.00 C ATOM 0 H THR A 81 -15.587 -1.845 -2.677 1.00 0.00 H new ATOM 0 HA THR A 81 -17.896 -3.519 -1.847 1.00 0.00 H new ATOM 0 HB THR A 81 -16.757 -2.676 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.032 -2.490 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.983 -4.552 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.692 -5.150 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.387 -5.191 -3.949 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.616 -5.703 -2.053 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.809 -6.892 -1.870 1.00 0.00 C ATOM 1087 C ARG A 82 -15.516 -7.530 -3.220 1.00 0.00 C ATOM 1088 O ARG A 82 -16.348 -8.255 -3.760 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.546 -7.870 -0.959 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.833 -8.328 -1.640 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.968 -8.352 -0.621 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.319 -6.997 -0.194 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.940 -6.740 0.965 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.265 -7.746 1.789 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -20.237 -5.477 1.301 1.00 0.00 N ATOM 0 H ARG A 82 -17.620 -5.859 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.861 -6.624 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.912 -8.729 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.776 -7.393 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.082 -7.656 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.696 -9.320 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.842 -8.838 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.672 -8.945 0.245 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.081 -6.215 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.040 -8.707 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.738 -7.550 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.990 -4.711 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.710 -5.282 2.183 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.328 -7.258 -3.767 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.936 -7.810 -5.048 1.00 0.00 C ATOM 1111 C TRP A 83 -13.826 -9.324 -4.949 1.00 0.00 C ATOM 1112 O TRP A 83 -14.500 -10.047 -5.680 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.606 -7.198 -5.478 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.472 -6.950 -6.946 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.766 -5.788 -7.571 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.017 -7.861 -7.992 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.525 -5.918 -8.923 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.062 -7.179 -9.238 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.572 -9.195 -8.016 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.686 -7.784 -10.440 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.193 -9.812 -9.217 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.248 -9.112 -10.428 1.00 0.00 C ATOM 0 H TRP A 83 -13.626 -6.657 -3.335 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.691 -7.571 -5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.470 -6.254 -4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.799 -7.859 -5.161 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -13.133 -4.895 -7.086 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.671 -5.174 -9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.521 -9.754 -7.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.733 -7.233 -11.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -10.855 -10.838 -9.207 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -10.954 -9.595 -11.348 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.974 -9.805 -4.041 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.784 -11.229 -3.855 1.00 0.00 C ATOM 1135 C GLY A 84 -11.388 -11.509 -3.315 1.00 0.00 C ATOM 1136 O GLY A 84 -10.571 -10.598 -3.196 1.00 0.00 O ATOM 0 H GLY A 84 -12.408 -9.221 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.533 -11.616 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.926 -11.749 -4.803 1.00 0.00 H new ATOM 1140 N THR A 85 -11.115 -12.774 -2.987 1.00 0.00 N ATOM 1141 CA THR A 85 -9.821 -13.163 -2.464 1.00 0.00 C ATOM 1142 C THR A 85 -8.742 -12.908 -3.506 1.00 0.00 C ATOM 1143 O THR A 85 -8.689 -13.588 -4.528 1.00 0.00 O ATOM 1144 CB THR A 85 -9.855 -14.637 -2.070 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.181 -15.013 -1.771 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.974 -14.857 -0.844 1.00 0.00 C ATOM 0 H THR A 85 -11.780 -13.542 -3.078 1.00 0.00 H new ATOM 0 HA THR A 85 -9.590 -12.569 -1.580 1.00 0.00 H new ATOM 0 HB THR A 85 -9.483 -15.243 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.204 -15.960 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.998 -15.910 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.949 -14.567 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.344 -14.252 -0.017 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.879 -11.923 -3.243 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.807 -11.582 -4.156 1.00 0.00 C ATOM 1156 C VAL A 86 -5.597 -12.465 -3.881 1.00 0.00 C ATOM 1157 O VAL A 86 -5.424 -12.954 -2.767 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.449 -10.108 -3.992 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.010 -9.880 -4.443 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.390 -9.260 -4.843 1.00 0.00 C ATOM 0 H VAL A 86 -7.910 -11.351 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.131 -11.751 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.550 -9.824 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.754 -8.827 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.338 -10.486 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.908 -10.164 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.136 -8.206 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.289 -9.544 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.418 -9.423 -4.520 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.759 -12.667 -4.900 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.573 -13.488 -4.763 1.00 0.00 C ATOM 1172 C ASP A 87 -2.338 -12.669 -5.110 1.00 0.00 C ATOM 1173 O ASP A 87 -1.975 -12.555 -6.279 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.690 -14.705 -5.676 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.253 -15.900 -4.920 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.278 -15.822 -3.673 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.648 -16.869 -5.604 1.00 0.00 O ATOM 0 H ASP A 87 -4.888 -12.268 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.479 -13.832 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.335 -14.469 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.710 -14.955 -6.082 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.691 -12.099 -4.091 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.503 -11.295 -4.292 1.00 0.00 C ATOM 1184 C CYS A 88 0.524 -12.085 -5.091 1.00 0.00 C ATOM 1185 O CYS A 88 1.355 -11.504 -5.784 1.00 0.00 O ATOM 1186 CB CYS A 88 0.067 -10.883 -2.937 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.827 -9.523 -2.146 1.00 0.00 S ATOM 0 H CYS A 88 -1.979 -12.185 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.758 -10.396 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.057 -11.747 -2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.110 -10.593 -3.066 1.00 0.00 H new ATOM 1192 N THR A 89 0.465 -13.416 -4.994 1.00 0.00 N ATOM 1193 CA THR A 89 1.388 -14.273 -5.708 1.00 0.00 C ATOM 1194 C THR A 89 0.945 -14.421 -7.156 1.00 0.00 C ATOM 1195 O THR A 89 1.608 -15.088 -7.947 1.00 0.00 O ATOM 1196 CB THR A 89 1.453 -15.634 -5.021 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.161 -16.198 -4.974 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.986 -15.463 -3.602 1.00 0.00 C ATOM 0 H THR A 89 -0.218 -13.915 -4.424 1.00 0.00 H new ATOM 0 HA THR A 89 2.383 -13.827 -5.699 1.00 0.00 H new ATOM 0 HB THR A 89 2.117 -16.293 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.202 -17.073 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.032 -16.435 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.984 -15.027 -3.638 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.323 -14.805 -3.041 1.00 0.00 H new ATOM 1206 N THR A 90 -0.182 -13.795 -7.504 1.00 0.00 N ATOM 1207 CA THR A 90 -0.705 -13.861 -8.854 1.00 0.00 C ATOM 1208 C THR A 90 -0.665 -12.480 -9.493 1.00 0.00 C ATOM 1209 O THR A 90 -0.566 -12.360 -10.712 1.00 0.00 O ATOM 1210 CB THR A 90 -2.132 -14.400 -8.820 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.100 -15.807 -8.731 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.862 -13.987 -10.095 1.00 0.00 C ATOM 0 H THR A 90 -0.745 -13.238 -6.861 1.00 0.00 H new ATOM 0 HA THR A 90 -0.090 -14.533 -9.453 1.00 0.00 H new ATOM 0 HB THR A 90 -2.654 -13.993 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.016 -16.154 -8.707 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.882 -14.372 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.886 -12.899 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.340 -14.394 -10.961 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.743 -11.436 -8.665 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.718 -10.071 -9.151 1.00 0.00 C ATOM 1222 C ALA A 91 0.302 -9.262 -8.362 1.00 0.00 C ATOM 1223 O ALA A 91 1.033 -9.812 -7.542 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.110 -9.460 -9.023 1.00 0.00 C ATOM 0 H ALA A 91 -0.824 -11.520 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.427 -10.060 -10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.092 -8.433 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.819 -10.042 -9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.416 -9.467 -7.977 1.00 0.00 H new ATOM 1230 N ALA A 92 0.349 -7.952 -8.613 1.00 0.00 N ATOM 1231 CA ALA A 92 1.278 -7.076 -7.927 1.00 0.00 C ATOM 1232 C ALA A 92 0.552 -6.314 -6.827 1.00 0.00 C ATOM 1233 O ALA A 92 -0.452 -5.655 -7.085 1.00 0.00 O ATOM 1234 CB ALA A 92 1.902 -6.111 -8.932 1.00 0.00 C ATOM 0 H ALA A 92 -0.251 -7.481 -9.290 1.00 0.00 H new ATOM 0 HA ALA A 92 2.071 -7.667 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.601 -5.452 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.433 -6.676 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.118 -5.515 -9.399 1.00 0.00 H new ATOM 1240 N CYS A 93 1.064 -6.406 -5.598 1.00 0.00 N ATOM 1241 CA CYS A 93 0.464 -5.728 -4.466 1.00 0.00 C ATOM 1242 C CYS A 93 1.293 -4.505 -4.101 1.00 0.00 C ATOM 1243 O CYS A 93 2.496 -4.471 -4.350 1.00 0.00 O ATOM 1244 CB CYS A 93 0.374 -6.692 -3.286 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.842 -8.014 -3.508 1.00 0.00 S ATOM 0 H CYS A 93 1.897 -6.948 -5.369 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.542 -5.397 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.354 -7.138 -3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.123 -6.128 -2.388 1.00 0.00 H new ATOM 1250 N GLN A 94 0.645 -3.497 -3.511 1.00 0.00 N ATOM 1251 CA GLN A 94 1.324 -2.279 -3.117 1.00 0.00 C ATOM 1252 C GLN A 94 0.734 -1.756 -1.815 1.00 0.00 C ATOM 1253 O GLN A 94 -0.442 -1.972 -1.534 1.00 0.00 O ATOM 1254 CB GLN A 94 1.188 -1.241 -4.228 1.00 0.00 C ATOM 1255 CG GLN A 94 0.027 -0.303 -3.909 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.513 0.343 -5.177 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.754 -0.341 -6.170 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.702 1.664 -5.141 1.00 0.00 N ATOM 0 H GLN A 94 -0.353 -3.509 -3.299 1.00 0.00 H new ATOM 0 HA GLN A 94 2.382 -2.484 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.113 -0.672 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.017 -1.736 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.768 -0.858 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.358 0.470 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.487 2.187 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.062 2.150 -5.962 1.00 0.00 H new ATOM 1267 N VAL A 95 1.556 -1.067 -1.020 1.00 0.00 N ATOM 1268 CA VAL A 95 1.113 -0.517 0.245 1.00 0.00 C ATOM 1269 C VAL A 95 1.105 1.003 0.171 1.00 0.00 C ATOM 1270 O VAL A 95 1.763 1.588 -0.686 1.00 0.00 O ATOM 1271 CB VAL A 95 2.038 -1.000 1.360 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.053 0.027 2.488 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.533 -2.336 1.895 1.00 0.00 C ATOM 0 H VAL A 95 2.535 -0.881 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 95 0.099 -0.856 0.459 1.00 0.00 H new ATOM 0 HB VAL A 95 3.047 -1.124 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.713 -0.317 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.413 0.982 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.044 0.150 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.192 -2.682 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.524 -2.213 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.521 -3.070 1.089 1.00 0.00 H new ATOM 1283 N GLY A 96 0.358 1.644 1.074 1.00 0.00 N ATOM 1284 CA GLY A 96 0.272 3.090 1.102 1.00 0.00 C ATOM 1285 C GLY A 96 -0.591 3.545 2.270 1.00 0.00 C ATOM 1286 O GLY A 96 -1.246 2.729 2.916 1.00 0.00 O ATOM 0 H GLY A 96 -0.193 1.175 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.270 3.519 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.150 3.454 0.165 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.590 4.852 2.542 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.370 5.409 3.629 1.00 0.00 C ATOM 1292 C LEU A 97 -2.226 6.558 3.115 1.00 0.00 C ATOM 1293 O LEU A 97 -1.718 7.474 2.473 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.433 5.885 4.735 1.00 0.00 C ATOM 1295 CG LEU A 97 0.490 6.970 4.187 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.562 8.126 5.180 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.886 6.391 3.976 1.00 0.00 C ATOM 0 H LEU A 97 -0.052 5.541 2.016 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.031 4.644 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.011 6.273 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.155 5.049 5.113 1.00 0.00 H new ATOM 0 HG LEU A 97 0.100 7.333 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.221 8.901 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.435 8.539 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.952 7.764 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.546 7.165 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.277 6.028 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.834 5.566 3.266 1.00 0.00 H new ATOM 1309 N SER A 98 -3.529 6.506 3.399 1.00 0.00 N ATOM 1310 CA SER A 98 -4.446 7.542 2.966 1.00 0.00 C ATOM 1311 C SER A 98 -4.868 8.390 4.158 1.00 0.00 C ATOM 1312 O SER A 98 -4.904 7.904 5.286 1.00 0.00 O ATOM 1313 CB SER A 98 -5.661 6.899 2.303 1.00 0.00 C ATOM 1314 OG SER A 98 -5.278 6.332 1.070 1.00 0.00 O ATOM 0 H SER A 98 -3.966 5.752 3.929 1.00 0.00 H new ATOM 0 HA SER A 98 -3.953 8.190 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.080 6.132 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.440 7.645 2.146 1.00 0.00 H new ATOM 0 HG SER A 98 -6.057 5.917 0.644 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.189 9.660 3.904 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.606 10.568 4.954 1.00 0.00 C ATOM 1322 C ASP A 99 -7.065 10.950 4.755 1.00 0.00 C ATOM 1323 O ASP A 99 -7.788 10.284 4.017 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.715 11.807 4.938 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.310 12.892 4.052 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.388 12.647 2.829 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.676 13.947 4.615 1.00 0.00 O ATOM 0 H ASP A 99 -5.165 10.077 2.973 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.508 10.079 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.594 12.186 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.722 11.541 4.577 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.498 12.026 5.417 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.867 12.489 5.310 1.00 0.00 C ATOM 1334 C ALA A 100 -9.146 12.951 3.887 1.00 0.00 C ATOM 1335 O ALA A 100 -10.148 12.562 3.291 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.098 13.625 6.302 1.00 0.00 C ATOM 0 H ALA A 100 -6.911 12.589 6.033 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.550 11.673 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.128 13.974 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.914 13.267 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.418 14.447 6.079 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.255 13.783 3.342 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.410 14.294 1.995 1.00 0.00 C ATOM 1344 C ALA A 101 -8.212 13.168 0.991 1.00 0.00 C ATOM 1345 O ALA A 101 -8.709 13.239 -0.131 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.401 15.414 1.758 1.00 0.00 C ATOM 0 H ALA A 101 -7.418 14.113 3.823 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.415 14.695 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.516 15.799 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.574 16.217 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.390 15.026 1.886 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.482 12.125 1.395 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.225 10.994 0.526 1.00 0.00 C ATOM 1354 C GLY A 102 -5.901 11.179 -0.202 1.00 0.00 C ATOM 1355 O GLY A 102 -5.847 11.096 -1.427 1.00 0.00 O ATOM 0 H GLY A 102 -7.062 12.049 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.201 10.075 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.034 10.891 -0.197 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.831 11.430 0.555 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.516 11.624 -0.022 1.00 0.00 C ATOM 1361 C ASN A 103 -2.498 10.754 0.702 1.00 0.00 C ATOM 1362 O ASN A 103 -2.816 10.132 1.712 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.133 13.098 0.075 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.234 13.348 1.278 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.136 13.880 1.134 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.704 12.964 2.467 1.00 0.00 N ATOM 0 H ASN A 103 -4.859 11.502 1.572 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.530 11.332 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.621 13.406 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.033 13.707 0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.144 13.108 3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.623 12.526 2.535 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.269 10.712 0.182 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.216 9.919 0.783 1.00 0.00 C ATOM 1375 C GLY A 104 1.086 10.101 0.014 1.00 0.00 C ATOM 1376 O GLY A 104 1.136 10.853 -0.957 1.00 0.00 O ATOM 0 H GLY A 104 -0.987 11.222 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.077 10.215 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.500 8.867 0.786 1.00 0.00 H new ATOM 1380 N PRO A 105 2.141 9.410 0.452 1.00 0.00 N ATOM 1381 CA PRO A 105 3.455 9.457 -0.152 1.00 0.00 C ATOM 1382 C PRO A 105 3.432 8.716 -1.481 1.00 0.00 C ATOM 1383 O PRO A 105 2.567 7.872 -1.709 1.00 0.00 O ATOM 1384 CB PRO A 105 4.371 8.757 0.849 1.00 0.00 C ATOM 1385 CG PRO A 105 3.435 7.751 1.519 1.00 0.00 C ATOM 1386 CD PRO A 105 2.116 8.518 1.591 1.00 0.00 C ATOM 0 HA PRO A 105 3.791 10.473 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.208 8.264 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.794 9.458 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.340 6.835 0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.791 7.463 2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.263 7.841 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.032 9.073 2.525 1.00 0.00 H new ATOM 1394 N GLU A 106 4.385 9.033 -2.361 1.00 0.00 N ATOM 1395 CA GLU A 106 4.466 8.396 -3.660 1.00 0.00 C ATOM 1396 C GLU A 106 4.061 6.933 -3.547 1.00 0.00 C ATOM 1397 O GLU A 106 4.649 6.181 -2.772 1.00 0.00 O ATOM 1398 CB GLU A 106 5.887 8.524 -4.200 1.00 0.00 C ATOM 1399 CG GLU A 106 6.860 7.851 -3.236 1.00 0.00 C ATOM 1400 CD GLU A 106 8.300 8.067 -3.678 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.533 8.000 -4.904 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.140 8.296 -2.782 1.00 0.00 O ATOM 0 H GLU A 106 5.109 9.730 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 106 3.782 8.887 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.956 8.062 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.148 9.575 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.720 8.252 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.647 6.783 -3.185 1.00 0.00 H new ATOM 1409 N GLY A 107 3.053 6.528 -4.323 1.00 0.00 N ATOM 1410 CA GLY A 107 2.579 5.159 -4.304 1.00 0.00 C ATOM 1411 C GLY A 107 3.747 4.199 -4.122 1.00 0.00 C ATOM 1412 O GLY A 107 4.864 4.489 -4.547 1.00 0.00 O ATOM 0 H GLY A 107 2.554 7.137 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.861 5.027 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.056 4.935 -5.234 1.00 0.00 H new ATOM 1416 N VAL A 108 3.487 3.054 -3.487 1.00 0.00 N ATOM 1417 CA VAL A 108 4.514 2.059 -3.252 1.00 0.00 C ATOM 1418 C VAL A 108 4.154 0.768 -3.972 1.00 0.00 C ATOM 1419 O VAL A 108 3.274 0.032 -3.529 1.00 0.00 O ATOM 1420 CB VAL A 108 4.655 1.821 -1.751 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.236 0.431 -1.509 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.587 2.872 -1.155 1.00 0.00 C ATOM 0 H VAL A 108 2.567 2.800 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 108 5.468 2.415 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 108 3.676 1.893 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.337 0.260 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.571 -0.320 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.215 0.359 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.688 2.703 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.566 2.800 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.173 3.865 -1.328 1.00 0.00 H new ATOM 1432 N ALA A 109 4.837 0.493 -5.085 1.00 0.00 N ATOM 1433 CA ALA A 109 4.587 -0.705 -5.860 1.00 0.00 C ATOM 1434 C ALA A 109 5.397 -1.863 -5.295 1.00 0.00 C ATOM 1435 O ALA A 109 6.575 -1.706 -4.985 1.00 0.00 O ATOM 1436 CB ALA A 109 4.951 -0.452 -7.320 1.00 0.00 C ATOM 0 H ALA A 109 5.570 1.093 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 109 3.530 -0.965 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.763 -1.353 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.345 0.366 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.006 -0.187 -7.391 1.00 0.00 H new ATOM 1442 N ILE A 110 4.760 -3.030 -5.161 1.00 0.00 N ATOM 1443 CA ILE A 110 5.422 -4.208 -4.636 1.00 0.00 C ATOM 1444 C ILE A 110 5.575 -5.246 -5.738 1.00 0.00 C ATOM 1445 O ILE A 110 4.964 -5.124 -6.797 1.00 0.00 O ATOM 1446 CB ILE A 110 4.611 -4.769 -3.471 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.984 -3.620 -2.687 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.529 -5.571 -2.553 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.173 -4.182 -1.522 1.00 0.00 C ATOM 0 H ILE A 110 3.782 -3.175 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 110 6.415 -3.943 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 110 3.824 -5.418 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.761 -2.953 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.342 -3.028 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.951 -5.972 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.977 -6.392 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.316 -4.922 -2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.725 -3.362 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.386 -4.831 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.828 -4.755 -0.865 1.00 0.00 H new ATOM 1461 N SER A 111 6.394 -6.270 -5.486 1.00 0.00 N ATOM 1462 CA SER A 111 6.620 -7.322 -6.457 1.00 0.00 C ATOM 1463 C SER A 111 7.003 -8.611 -5.742 1.00 0.00 C ATOM 1464 O SER A 111 7.911 -8.617 -4.914 1.00 0.00 O ATOM 1465 CB SER A 111 7.720 -6.893 -7.424 1.00 0.00 C ATOM 1466 OG SER A 111 8.256 -8.031 -8.060 1.00 0.00 O ATOM 0 H SER A 111 6.909 -6.385 -4.613 1.00 0.00 H new ATOM 0 HA SER A 111 5.706 -7.502 -7.023 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.318 -6.204 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.504 -6.360 -6.886 1.00 0.00 H new ATOM 0 HG SER A 111 8.961 -7.756 -8.682 1.00 0.00 H new ATOM 1472 N PHE A 112 6.308 -9.704 -6.065 1.00 0.00 N ATOM 1473 CA PHE A 112 6.581 -10.989 -5.454 1.00 0.00 C ATOM 1474 C PHE A 112 7.383 -11.858 -6.412 1.00 0.00 C ATOM 1475 O PHE A 112 6.972 -12.073 -7.550 1.00 0.00 O ATOM 1476 CB PHE A 112 5.263 -11.665 -5.085 1.00 0.00 C ATOM 1477 CG PHE A 112 4.387 -10.827 -4.184 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.698 -9.726 -4.706 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.266 -11.149 -2.828 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.888 -8.947 -3.872 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.456 -10.371 -1.993 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.766 -9.270 -2.515 1.00 0.00 C ATOM 0 H PHE A 112 5.552 -9.716 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 112 7.169 -10.847 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.715 -11.897 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.476 -12.613 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.792 -9.478 -5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.798 -11.998 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.357 -8.097 -4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.363 -10.620 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.140 -8.670 -1.871 1.00 0.00 H new ATOM 1492 N ASN A 113 8.532 -12.357 -5.950 1.00 0.00 N ATOM 1493 CA ASN A 113 9.382 -13.198 -6.767 1.00 0.00 C ATOM 1494 C ASN A 113 9.862 -12.422 -7.986 1.00 0.00 C ATOM 1495 O ASN A 113 10.557 -11.417 -7.851 1.00 0.00 O ATOM 1496 CB ASN A 113 8.608 -14.443 -7.190 1.00 0.00 C ATOM 1497 CG ASN A 113 8.120 -15.218 -5.975 1.00 0.00 C ATOM 1498 OD1 ASN A 113 6.944 -14.849 -5.462 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 8.795 -16.133 -5.508 1.00 0.00 N flip ATOM 0 H ASN A 113 8.888 -12.187 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 113 10.255 -13.506 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.758 -14.155 -7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.245 -15.082 -7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.688 -16.378 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.462 -16.648 -4.693 1.00 0.00 H new