USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 863 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 20 MET CE :methyl 157:sc= -1.27 (180deg=-1.41) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 165:sc= -0.0894 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 44:sc= 0.249 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 150:sc= -1.26 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.6!) USER MOD Single : A 31 SER OG : rot 114:sc= -1.66 USER MOD Single : A 33 GLN : amide:sc=-0.000562 X(o=-0.00056,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -6.1! C(o=-6.1!,f=-12!) USER MOD Single : A 45 ASN : amide:sc= 0.0677 K(o=0.068,f=-1.5) USER MOD Single : A 51 TYR OH : rot 84:sc= -1.82 USER MOD Single : A 52 GLN : amide:sc= -0.842 X(o=-0.84,f=-1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -145:sc= 1 USER MOD Single : A 62 SER OG : rot 73:sc= -0.53 USER MOD Single : A 63 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.9!) USER MOD Single : A 65 GLN : amide:sc= -0.0994 X(o=-0.099,f=-0.002) USER MOD Single : A 66 TYR OH : rot -150:sc= 1.02 USER MOD Single : A 67 SER OG : rot 180:sc=0.000496 USER MOD Single : A 71 MET CE :methyl -126:sc= -2.69 (180deg=-7.81!) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= -4.19! (180deg=-8.24!) USER MOD Single : A 74 THR OG1 : rot -60:sc= 0.633 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.277 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.65) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.74 USER MOD Single : A 96 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 99 ASN : amide:sc= -3.17 K(o=-3.2,f=-7.8!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00306 USER MOD Single : A 107 SER OG : rot 81:sc= -3.43! USER MOD Single : A 108 SER OG : rot 180:sc= 0.128 USER MOD Single : A 111 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.8) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 114 THR OG1 : rot -179:sc= -0.561 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.620 4.555 24.131 1.00 0.00 N ATOM 2 CA GLY A 1 19.881 5.147 24.546 1.00 0.00 C ATOM 3 C GLY A 1 21.065 4.418 23.909 1.00 0.00 C ATOM 4 O GLY A 1 21.807 3.715 24.594 1.00 0.00 O ATOM 0 H1 GLY A 1 17.832 5.068 24.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.532 4.616 23.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.592 3.557 24.422 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.903 6.200 24.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.966 5.106 25.632 1.00 0.00 H new ATOM 8 N SER A 2 21.205 4.609 22.606 1.00 0.00 N ATOM 9 CA SER A 2 22.287 3.979 21.868 1.00 0.00 C ATOM 10 C SER A 2 22.203 4.359 20.389 1.00 0.00 C ATOM 11 O SER A 2 23.172 4.856 19.816 1.00 0.00 O ATOM 12 CB SER A 2 22.249 2.458 22.029 1.00 0.00 C ATOM 13 OG SER A 2 23.516 1.929 22.410 1.00 0.00 O ATOM 0 H SER A 2 20.587 5.192 22.041 1.00 0.00 H new ATOM 0 HA SER A 2 23.233 4.337 22.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.505 2.192 22.779 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.933 2.002 21.091 1.00 0.00 H new ATOM 0 HG SER A 2 23.449 0.956 22.504 1.00 0.00 H new ATOM 19 N SER A 3 21.036 4.111 19.812 1.00 0.00 N ATOM 20 CA SER A 3 20.813 4.421 18.410 1.00 0.00 C ATOM 21 C SER A 3 21.789 3.629 17.538 1.00 0.00 C ATOM 22 O SER A 3 23.002 3.802 17.643 1.00 0.00 O ATOM 23 CB SER A 3 20.963 5.921 18.147 1.00 0.00 C ATOM 24 OG SER A 3 19.724 6.612 18.276 1.00 0.00 O ATOM 0 H SER A 3 20.235 3.699 20.290 1.00 0.00 H new ATOM 0 HA SER A 3 19.793 4.135 18.154 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.687 6.341 18.846 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.361 6.075 17.144 1.00 0.00 H new ATOM 0 HG SER A 3 19.862 7.567 18.102 1.00 0.00 H new ATOM 30 N GLY A 4 21.223 2.778 16.695 1.00 0.00 N ATOM 31 CA GLY A 4 22.028 1.959 15.805 1.00 0.00 C ATOM 32 C GLY A 4 22.211 2.641 14.448 1.00 0.00 C ATOM 33 O GLY A 4 22.173 3.867 14.355 1.00 0.00 O ATOM 0 H GLY A 4 20.216 2.638 16.610 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.002 1.774 16.257 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.551 0.989 15.667 1.00 0.00 H new ATOM 37 N SER A 5 22.405 1.818 13.428 1.00 0.00 N ATOM 38 CA SER A 5 22.594 2.326 12.081 1.00 0.00 C ATOM 39 C SER A 5 21.615 1.646 11.122 1.00 0.00 C ATOM 40 O SER A 5 21.094 0.572 11.420 1.00 0.00 O ATOM 41 CB SER A 5 24.033 2.113 11.608 1.00 0.00 C ATOM 42 OG SER A 5 24.307 0.743 11.332 1.00 0.00 O ATOM 0 H SER A 5 22.435 0.802 13.508 1.00 0.00 H new ATOM 0 HA SER A 5 22.398 3.398 12.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.211 2.706 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.723 2.474 12.371 1.00 0.00 H new ATOM 0 HG SER A 5 25.235 0.649 11.031 1.00 0.00 H new ATOM 48 N SER A 6 21.393 2.298 9.991 1.00 0.00 N ATOM 49 CA SER A 6 20.486 1.770 8.987 1.00 0.00 C ATOM 50 C SER A 6 21.253 1.457 7.700 1.00 0.00 C ATOM 51 O SER A 6 21.269 0.314 7.245 1.00 0.00 O ATOM 52 CB SER A 6 19.348 2.752 8.701 1.00 0.00 C ATOM 53 OG SER A 6 18.075 2.112 8.714 1.00 0.00 O ATOM 0 H SER A 6 21.826 3.189 9.747 1.00 0.00 H new ATOM 0 HA SER A 6 20.047 0.850 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.361 3.549 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.509 3.220 7.730 1.00 0.00 H new ATOM 0 HG SER A 6 17.375 2.772 8.529 1.00 0.00 H new ATOM 59 N GLY A 7 21.870 2.493 7.151 1.00 0.00 N ATOM 60 CA GLY A 7 22.637 2.343 5.926 1.00 0.00 C ATOM 61 C GLY A 7 22.079 3.237 4.816 1.00 0.00 C ATOM 62 O GLY A 7 20.909 3.124 4.454 1.00 0.00 O ATOM 0 H GLY A 7 21.854 3.439 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.680 2.597 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.615 1.302 5.604 1.00 0.00 H new ATOM 66 N ILE A 8 22.942 4.104 4.308 1.00 0.00 N ATOM 67 CA ILE A 8 22.549 5.016 3.248 1.00 0.00 C ATOM 68 C ILE A 8 21.371 5.868 3.723 1.00 0.00 C ATOM 69 O ILE A 8 20.251 5.373 3.842 1.00 0.00 O ATOM 70 CB ILE A 8 22.270 4.246 1.955 1.00 0.00 C ATOM 71 CG1 ILE A 8 23.530 3.537 1.456 1.00 0.00 C ATOM 72 CG2 ILE A 8 21.669 5.165 0.889 1.00 0.00 C ATOM 73 CD1 ILE A 8 23.178 2.428 0.463 1.00 0.00 C ATOM 0 H ILE A 8 23.912 4.194 4.611 1.00 0.00 H new ATOM 0 HA ILE A 8 23.364 5.702 3.014 1.00 0.00 H new ATOM 0 HB ILE A 8 21.531 3.474 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 8 24.194 4.259 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 8 24.073 3.114 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 8 21.480 4.593 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 8 20.732 5.583 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 8 22.366 5.974 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 8 24.092 1.940 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 8 22.534 1.695 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 8 22.657 2.858 -0.393 1.00 0.00 H new ATOM 85 N SER A 9 21.663 7.134 3.983 1.00 0.00 N ATOM 86 CA SER A 9 20.641 8.059 4.443 1.00 0.00 C ATOM 87 C SER A 9 21.124 9.500 4.270 1.00 0.00 C ATOM 88 O SER A 9 21.678 10.089 5.197 1.00 0.00 O ATOM 89 CB SER A 9 20.276 7.793 5.904 1.00 0.00 C ATOM 90 OG SER A 9 19.084 7.022 6.025 1.00 0.00 O ATOM 0 H SER A 9 22.593 7.541 3.884 1.00 0.00 H new ATOM 0 HA SER A 9 19.746 7.908 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.097 7.270 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.148 8.742 6.424 1.00 0.00 H new ATOM 0 HG SER A 9 19.103 6.286 5.378 1.00 0.00 H new ATOM 96 N THR A 10 20.897 10.027 3.075 1.00 0.00 N ATOM 97 CA THR A 10 21.302 11.389 2.769 1.00 0.00 C ATOM 98 C THR A 10 20.842 11.778 1.363 1.00 0.00 C ATOM 99 O THR A 10 20.718 10.923 0.487 1.00 0.00 O ATOM 100 CB THR A 10 22.817 11.486 2.962 1.00 0.00 C ATOM 101 OG1 THR A 10 23.129 12.826 2.589 1.00 0.00 O ATOM 102 CG2 THR A 10 23.591 10.630 1.957 1.00 0.00 C ATOM 0 H THR A 10 20.438 9.536 2.308 1.00 0.00 H new ATOM 0 HA THR A 10 20.828 12.104 3.441 1.00 0.00 H new ATOM 0 HB THR A 10 23.074 11.178 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 10 24.093 12.977 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.661 10.735 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 10 23.304 9.585 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 10 23.360 10.960 0.944 1.00 0.00 H new ATOM 110 N GLU A 11 20.602 13.069 1.190 1.00 0.00 N ATOM 111 CA GLU A 11 20.158 13.583 -0.095 1.00 0.00 C ATOM 112 C GLU A 11 19.271 12.555 -0.800 1.00 0.00 C ATOM 113 O GLU A 11 19.653 12.001 -1.830 1.00 0.00 O ATOM 114 CB GLU A 11 21.351 13.970 -0.972 1.00 0.00 C ATOM 115 CG GLU A 11 22.291 12.780 -1.175 1.00 0.00 C ATOM 116 CD GLU A 11 23.072 12.915 -2.484 1.00 0.00 C ATOM 117 OE1 GLU A 11 23.780 13.936 -2.620 1.00 0.00 O ATOM 118 OE2 GLU A 11 22.943 11.994 -3.319 1.00 0.00 O ATOM 0 H GLU A 11 20.707 13.775 1.919 1.00 0.00 H new ATOM 0 HA GLU A 11 19.569 14.484 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.996 14.326 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.895 14.793 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.986 12.714 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.715 11.855 -1.185 1.00 0.00 H new ATOM 125 N GLU A 12 18.102 12.331 -0.216 1.00 0.00 N ATOM 126 CA GLU A 12 17.157 11.379 -0.775 1.00 0.00 C ATOM 127 C GLU A 12 16.174 12.092 -1.706 1.00 0.00 C ATOM 128 O GLU A 12 15.917 13.284 -1.548 1.00 0.00 O ATOM 129 CB GLU A 12 16.416 10.627 0.332 1.00 0.00 C ATOM 130 CG GLU A 12 17.232 9.430 0.823 1.00 0.00 C ATOM 131 CD GLU A 12 16.562 8.767 2.028 1.00 0.00 C ATOM 132 OE1 GLU A 12 16.858 9.213 3.158 1.00 0.00 O ATOM 133 OE2 GLU A 12 15.770 7.829 1.793 1.00 0.00 O ATOM 0 H GLU A 12 17.788 12.792 0.638 1.00 0.00 H new ATOM 0 HA GLU A 12 17.713 10.645 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.217 11.302 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.450 10.285 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.340 8.704 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.236 9.756 1.095 1.00 0.00 H new ATOM 140 N ALA A 13 15.652 11.331 -2.657 1.00 0.00 N ATOM 141 CA ALA A 13 14.703 11.875 -3.614 1.00 0.00 C ATOM 142 C ALA A 13 13.489 10.948 -3.704 1.00 0.00 C ATOM 143 O ALA A 13 13.629 9.727 -3.646 1.00 0.00 O ATOM 144 CB ALA A 13 15.393 12.065 -4.966 1.00 0.00 C ATOM 0 H ALA A 13 15.868 10.342 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 13 14.348 12.853 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.681 12.473 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.230 12.754 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.760 11.104 -5.325 1.00 0.00 H new ATOM 150 N ALA A 14 12.324 11.563 -3.846 1.00 0.00 N ATOM 151 CA ALA A 14 11.086 10.809 -3.945 1.00 0.00 C ATOM 152 C ALA A 14 11.242 9.720 -5.010 1.00 0.00 C ATOM 153 O ALA A 14 12.030 9.867 -5.942 1.00 0.00 O ATOM 154 CB ALA A 14 9.930 11.763 -4.251 1.00 0.00 C ATOM 0 H ALA A 14 12.211 12.576 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 14 10.859 10.316 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.001 11.197 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.844 12.499 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.120 12.274 -5.195 1.00 0.00 H new ATOM 160 N PRO A 15 10.456 8.625 -4.830 1.00 0.00 N ATOM 161 CA PRO A 15 10.499 7.512 -5.764 1.00 0.00 C ATOM 162 C PRO A 15 9.774 7.861 -7.066 1.00 0.00 C ATOM 163 O PRO A 15 8.705 8.469 -7.042 1.00 0.00 O ATOM 164 CB PRO A 15 9.859 6.351 -5.022 1.00 0.00 C ATOM 165 CG PRO A 15 9.066 6.970 -3.882 1.00 0.00 C ATOM 166 CD PRO A 15 9.510 8.417 -3.738 1.00 0.00 C ATOM 0 HA PRO A 15 11.514 7.260 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.210 5.776 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.616 5.665 -4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.997 6.917 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.240 6.423 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.664 9.100 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.978 8.593 -2.770 1.00 0.00 H new ATOM 174 N ASP A 16 10.386 7.462 -8.171 1.00 0.00 N ATOM 175 CA ASP A 16 9.813 7.725 -9.480 1.00 0.00 C ATOM 176 C ASP A 16 9.321 6.411 -10.090 1.00 0.00 C ATOM 177 O ASP A 16 9.629 6.102 -11.240 1.00 0.00 O ATOM 178 CB ASP A 16 10.855 8.324 -10.427 1.00 0.00 C ATOM 179 CG ASP A 16 11.013 9.843 -10.337 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.205 10.538 -10.990 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.938 10.276 -9.617 1.00 0.00 O ATOM 0 H ASP A 16 11.273 6.959 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 16 8.992 8.431 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.820 7.861 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.587 8.062 -11.450 1.00 0.00 H new ATOM 186 N GLY A 17 8.564 5.672 -9.292 1.00 0.00 N ATOM 187 CA GLY A 17 8.025 4.399 -9.738 1.00 0.00 C ATOM 188 C GLY A 17 7.369 3.644 -8.580 1.00 0.00 C ATOM 189 O GLY A 17 7.851 3.695 -7.449 1.00 0.00 O ATOM 0 H GLY A 17 8.311 5.931 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.293 4.567 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.823 3.792 -10.166 1.00 0.00 H new ATOM 193 N PRO A 18 6.251 2.944 -8.910 1.00 0.00 N ATOM 194 CA PRO A 18 5.524 2.180 -7.911 1.00 0.00 C ATOM 195 C PRO A 18 6.269 0.891 -7.557 1.00 0.00 C ATOM 196 O PRO A 18 7.283 0.567 -8.173 1.00 0.00 O ATOM 197 CB PRO A 18 4.158 1.926 -8.527 1.00 0.00 C ATOM 198 CG PRO A 18 4.326 2.151 -10.021 1.00 0.00 C ATOM 199 CD PRO A 18 5.652 2.861 -10.239 1.00 0.00 C ATOM 0 HA PRO A 18 5.427 2.711 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.819 0.911 -8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.411 2.602 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.310 1.201 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.503 2.750 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.290 2.306 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.505 3.851 -10.670 1.00 0.00 H new ATOM 207 N PRO A 19 5.723 0.173 -6.539 1.00 0.00 N ATOM 208 CA PRO A 19 6.325 -1.073 -6.096 1.00 0.00 C ATOM 209 C PRO A 19 6.044 -2.202 -7.090 1.00 0.00 C ATOM 210 O PRO A 19 5.235 -2.043 -8.003 1.00 0.00 O ATOM 211 CB PRO A 19 5.730 -1.330 -4.721 1.00 0.00 C ATOM 212 CG PRO A 19 4.477 -0.473 -4.643 1.00 0.00 C ATOM 213 CD PRO A 19 4.523 0.526 -5.787 1.00 0.00 C ATOM 0 HA PRO A 19 7.412 -1.019 -6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.490 -2.385 -4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.435 -1.063 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.584 -1.095 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.428 0.045 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.631 0.457 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.575 1.550 -5.417 1.00 0.00 H new ATOM 221 N MET A 20 6.728 -3.317 -6.879 1.00 0.00 N ATOM 222 CA MET A 20 6.562 -4.472 -7.745 1.00 0.00 C ATOM 223 C MET A 20 5.851 -5.610 -7.010 1.00 0.00 C ATOM 224 O MET A 20 5.781 -5.613 -5.782 1.00 0.00 O ATOM 225 CB MET A 20 7.933 -4.952 -8.224 1.00 0.00 C ATOM 226 CG MET A 20 8.792 -3.776 -8.694 1.00 0.00 C ATOM 227 SD MET A 20 9.314 -4.037 -10.381 1.00 0.00 S ATOM 228 CE MET A 20 7.887 -3.407 -11.248 1.00 0.00 C ATOM 0 H MET A 20 7.398 -3.445 -6.121 1.00 0.00 H new ATOM 0 HA MET A 20 5.951 -4.178 -8.599 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.441 -5.478 -7.416 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.808 -5.665 -9.039 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.225 -2.848 -8.620 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.663 -3.670 -8.047 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.175 -3.112 -12.257 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.122 -4.182 -11.301 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.491 -2.542 -10.716 1.00 0.00 H new ATOM 238 N ASP A 21 5.341 -6.549 -7.793 1.00 0.00 N ATOM 239 CA ASP A 21 4.637 -7.691 -7.233 1.00 0.00 C ATOM 240 C ASP A 21 3.437 -7.197 -6.422 1.00 0.00 C ATOM 241 O ASP A 21 3.212 -7.650 -5.302 1.00 0.00 O ATOM 242 CB ASP A 21 5.544 -8.490 -6.295 1.00 0.00 C ATOM 243 CG ASP A 21 5.122 -9.944 -6.071 1.00 0.00 C ATOM 244 OD1 ASP A 21 5.190 -10.712 -7.055 1.00 0.00 O ATOM 245 OD2 ASP A 21 4.740 -10.253 -4.922 1.00 0.00 O ATOM 0 H ASP A 21 5.401 -6.543 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 21 4.318 -8.329 -8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.557 -8.479 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.579 -7.985 -5.330 1.00 0.00 H new ATOM 250 N VAL A 22 2.699 -6.274 -7.021 1.00 0.00 N ATOM 251 CA VAL A 22 1.528 -5.713 -6.369 1.00 0.00 C ATOM 252 C VAL A 22 0.317 -6.607 -6.648 1.00 0.00 C ATOM 253 O VAL A 22 -0.218 -6.604 -7.755 1.00 0.00 O ATOM 254 CB VAL A 22 1.319 -4.266 -6.820 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.298 -3.556 -5.930 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.646 -3.504 -6.849 1.00 0.00 C ATOM 0 H VAL A 22 2.889 -5.901 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 22 1.670 -5.685 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 22 0.922 -4.285 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.168 -2.529 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.657 -4.079 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.654 -3.553 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.470 -2.478 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.085 -3.499 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.330 -3.991 -7.544 1.00 0.00 H new ATOM 266 N THR A 23 -0.078 -7.349 -5.624 1.00 0.00 N ATOM 267 CA THR A 23 -1.215 -8.246 -5.746 1.00 0.00 C ATOM 268 C THR A 23 -1.921 -8.398 -4.396 1.00 0.00 C ATOM 269 O THR A 23 -1.295 -8.264 -3.346 1.00 0.00 O ATOM 270 CB THR A 23 -0.713 -9.571 -6.322 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.891 -10.204 -6.814 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.203 -10.524 -5.239 1.00 0.00 C ATOM 0 H THR A 23 0.368 -7.348 -4.707 1.00 0.00 H new ATOM 0 HA THR A 23 -1.965 -7.844 -6.427 1.00 0.00 H new ATOM 0 HB THR A 23 0.084 -9.376 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.657 -11.071 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.141 -11.449 -5.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.623 -10.057 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.010 -10.746 -4.540 1.00 0.00 H new ATOM 280 N LEU A 24 -3.214 -8.675 -4.469 1.00 0.00 N ATOM 281 CA LEU A 24 -4.012 -8.847 -3.266 1.00 0.00 C ATOM 282 C LEU A 24 -4.355 -10.328 -3.094 1.00 0.00 C ATOM 283 O LEU A 24 -4.395 -11.077 -4.069 1.00 0.00 O ATOM 284 CB LEU A 24 -5.237 -7.931 -3.301 1.00 0.00 C ATOM 285 CG LEU A 24 -5.003 -6.517 -3.836 1.00 0.00 C ATOM 286 CD1 LEU A 24 -3.765 -5.887 -3.196 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.923 -6.515 -5.364 1.00 0.00 C ATOM 0 H LEU A 24 -3.730 -8.785 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.444 -8.547 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.004 -8.407 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.637 -7.854 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.858 -5.901 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.621 -4.882 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.901 -5.834 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.889 -6.495 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.756 -5.498 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.099 -7.151 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.857 -6.895 -5.778 1.00 0.00 H new ATOM 299 N GLN A 25 -4.594 -10.706 -1.847 1.00 0.00 N ATOM 300 CA GLN A 25 -4.932 -12.084 -1.535 1.00 0.00 C ATOM 301 C GLN A 25 -5.834 -12.143 -0.300 1.00 0.00 C ATOM 302 O GLN A 25 -5.416 -11.774 0.796 1.00 0.00 O ATOM 303 CB GLN A 25 -3.671 -12.926 -1.333 1.00 0.00 C ATOM 304 CG GLN A 25 -3.838 -14.319 -1.943 1.00 0.00 C ATOM 305 CD GLN A 25 -2.578 -14.742 -2.700 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.522 -14.735 -3.919 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.571 -15.109 -1.912 1.00 0.00 N ATOM 0 H GLN A 25 -4.560 -10.082 -1.041 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.478 -12.504 -2.380 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.818 -12.425 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.456 -13.015 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.053 -15.041 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.692 -14.323 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.684 -15.092 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.686 -15.408 -2.321 1.00 0.00 H new ATOM 316 N PRO A 26 -7.087 -12.621 -0.526 1.00 0.00 N ATOM 317 CA PRO A 26 -8.051 -12.733 0.556 1.00 0.00 C ATOM 318 C PRO A 26 -7.722 -13.921 1.463 1.00 0.00 C ATOM 319 O PRO A 26 -7.853 -15.073 1.054 1.00 0.00 O ATOM 320 CB PRO A 26 -9.400 -12.866 -0.132 1.00 0.00 C ATOM 321 CG PRO A 26 -9.099 -13.290 -1.561 1.00 0.00 C ATOM 322 CD PRO A 26 -7.616 -13.068 -1.811 1.00 0.00 C ATOM 0 HA PRO A 26 -8.041 -11.869 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.024 -13.604 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.944 -11.922 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.359 -14.338 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.696 -12.710 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.129 -13.985 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.453 -12.321 -2.588 1.00 0.00 H new ATOM 330 N VAL A 27 -7.303 -13.598 2.677 1.00 0.00 N ATOM 331 CA VAL A 27 -6.955 -14.624 3.646 1.00 0.00 C ATOM 332 C VAL A 27 -8.160 -14.898 4.548 1.00 0.00 C ATOM 333 O VAL A 27 -8.367 -16.027 4.988 1.00 0.00 O ATOM 334 CB VAL A 27 -5.707 -14.206 4.426 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.439 -14.451 3.605 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.800 -12.743 4.866 1.00 0.00 C ATOM 0 H VAL A 27 -7.196 -12.641 3.012 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.708 -15.558 3.141 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.650 -14.823 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.567 -14.145 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.361 -15.511 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.485 -13.871 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.900 -12.471 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.893 -12.104 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.673 -12.610 5.506 1.00 0.00 H new ATOM 346 N THR A 28 -8.924 -13.844 4.796 1.00 0.00 N ATOM 347 CA THR A 28 -10.103 -13.956 5.638 1.00 0.00 C ATOM 348 C THR A 28 -11.355 -13.546 4.859 1.00 0.00 C ATOM 349 O THR A 28 -11.414 -13.709 3.642 1.00 0.00 O ATOM 350 CB THR A 28 -9.868 -13.118 6.896 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.836 -11.776 6.417 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.476 -13.334 7.492 1.00 0.00 C ATOM 0 H THR A 28 -8.749 -12.909 4.429 1.00 0.00 H new ATOM 0 HA THR A 28 -10.273 -14.988 5.945 1.00 0.00 H new ATOM 0 HB THR A 28 -10.624 -13.363 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.164 -11.172 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.362 -12.716 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.354 -14.383 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.719 -13.057 6.758 1.00 0.00 H new ATOM 360 N SER A 29 -12.325 -13.023 5.595 1.00 0.00 N ATOM 361 CA SER A 29 -13.572 -12.588 4.989 1.00 0.00 C ATOM 362 C SER A 29 -13.714 -11.070 5.114 1.00 0.00 C ATOM 363 O SER A 29 -14.557 -10.465 4.454 1.00 0.00 O ATOM 364 CB SER A 29 -14.771 -13.288 5.633 1.00 0.00 C ATOM 365 OG SER A 29 -14.498 -14.656 5.923 1.00 0.00 O ATOM 0 H SER A 29 -12.272 -12.891 6.605 1.00 0.00 H new ATOM 0 HA SER A 29 -13.551 -12.858 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.042 -12.770 6.553 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.630 -13.223 4.965 1.00 0.00 H new ATOM 0 HG SER A 29 -15.287 -15.067 6.334 1.00 0.00 H new ATOM 371 N GLN A 30 -12.875 -10.498 5.966 1.00 0.00 N ATOM 372 CA GLN A 30 -12.897 -9.062 6.186 1.00 0.00 C ATOM 373 C GLN A 30 -11.471 -8.506 6.203 1.00 0.00 C ATOM 374 O GLN A 30 -11.173 -7.575 6.950 1.00 0.00 O ATOM 375 CB GLN A 30 -13.635 -8.716 7.480 1.00 0.00 C ATOM 376 CG GLN A 30 -15.102 -9.145 7.406 1.00 0.00 C ATOM 377 CD GLN A 30 -15.582 -9.694 8.751 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.803 -10.011 9.635 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.904 -9.790 8.856 1.00 0.00 N ATOM 0 H GLN A 30 -12.176 -11.003 6.512 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.439 -8.597 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.150 -9.209 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.575 -7.643 7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.719 -8.295 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.224 -9.905 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.499 -9.507 8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.323 -10.147 9.715 1.00 0.00 H new ATOM 388 N SER A 31 -10.628 -9.101 5.371 1.00 0.00 N ATOM 389 CA SER A 31 -9.241 -8.677 5.282 1.00 0.00 C ATOM 390 C SER A 31 -8.619 -9.195 3.984 1.00 0.00 C ATOM 391 O SER A 31 -9.164 -10.095 3.345 1.00 0.00 O ATOM 392 CB SER A 31 -8.437 -9.166 6.488 1.00 0.00 C ATOM 393 OG SER A 31 -7.184 -8.496 6.601 1.00 0.00 O ATOM 0 H SER A 31 -10.879 -9.873 4.753 1.00 0.00 H new ATOM 0 HA SER A 31 -9.215 -7.587 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.016 -9.008 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.268 -10.239 6.400 1.00 0.00 H new ATOM 0 HG SER A 31 -7.178 -7.949 7.414 1.00 0.00 H new ATOM 399 N ILE A 32 -7.485 -8.606 3.632 1.00 0.00 N ATOM 400 CA ILE A 32 -6.783 -8.997 2.422 1.00 0.00 C ATOM 401 C ILE A 32 -5.279 -8.802 2.624 1.00 0.00 C ATOM 402 O ILE A 32 -4.853 -7.814 3.221 1.00 0.00 O ATOM 403 CB ILE A 32 -7.343 -8.247 1.211 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.809 -8.612 0.970 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.481 -8.489 -0.030 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.347 -7.921 -0.284 1.00 0.00 C ATOM 0 H ILE A 32 -7.035 -7.861 4.164 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.943 -10.055 2.215 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.308 -7.179 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.906 -9.693 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.407 -8.322 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.901 -7.945 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.466 -8.140 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.462 -9.555 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.391 -8.197 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.271 -6.840 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.763 -8.232 -1.150 1.00 0.00 H new ATOM 418 N GLN A 33 -4.517 -9.758 2.116 1.00 0.00 N ATOM 419 CA GLN A 33 -3.069 -9.704 2.233 1.00 0.00 C ATOM 420 C GLN A 33 -2.462 -9.028 1.002 1.00 0.00 C ATOM 421 O GLN A 33 -2.525 -9.568 -0.101 1.00 0.00 O ATOM 422 CB GLN A 33 -2.483 -11.102 2.437 1.00 0.00 C ATOM 423 CG GLN A 33 -0.991 -11.028 2.767 1.00 0.00 C ATOM 424 CD GLN A 33 -0.541 -12.261 3.554 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.843 -13.392 3.210 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.194 -11.981 4.626 1.00 0.00 N ATOM 0 H GLN A 33 -4.874 -10.576 1.622 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.817 -9.109 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.013 -11.608 3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.631 -11.697 1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.415 -10.950 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.787 -10.128 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.410 -11.011 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.542 -12.736 5.217 1.00 0.00 H new ATOM 435 N VAL A 34 -1.887 -7.857 1.233 1.00 0.00 N ATOM 436 CA VAL A 34 -1.269 -7.102 0.156 1.00 0.00 C ATOM 437 C VAL A 34 0.250 -7.268 0.230 1.00 0.00 C ATOM 438 O VAL A 34 0.892 -6.751 1.143 1.00 0.00 O ATOM 439 CB VAL A 34 -1.714 -5.639 0.220 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.038 -4.812 -0.875 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.237 -5.525 0.132 1.00 0.00 C ATOM 0 H VAL A 34 -1.836 -7.413 2.150 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.592 -7.484 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.403 -5.236 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.372 -3.777 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.044 -4.854 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.304 -5.215 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.527 -4.475 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.580 -5.954 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.691 -6.065 0.963 1.00 0.00 H new ATOM 451 N THR A 35 0.782 -7.993 -0.744 1.00 0.00 N ATOM 452 CA THR A 35 2.214 -8.233 -0.801 1.00 0.00 C ATOM 453 C THR A 35 2.827 -7.519 -2.007 1.00 0.00 C ATOM 454 O THR A 35 2.226 -7.477 -3.080 1.00 0.00 O ATOM 455 CB THR A 35 2.438 -9.747 -0.812 1.00 0.00 C ATOM 456 OG1 THR A 35 1.357 -10.253 -1.590 1.00 0.00 O ATOM 457 CG2 THR A 35 2.234 -10.379 0.566 1.00 0.00 C ATOM 0 H THR A 35 0.247 -8.422 -1.499 1.00 0.00 H new ATOM 0 HA THR A 35 2.720 -7.821 0.072 1.00 0.00 H new ATOM 0 HB THR A 35 3.447 -9.962 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.426 -11.229 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.405 -11.454 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.937 -9.941 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.215 -10.193 0.904 1.00 0.00 H new ATOM 465 N TRP A 36 4.016 -6.976 -1.791 1.00 0.00 N ATOM 466 CA TRP A 36 4.717 -6.265 -2.847 1.00 0.00 C ATOM 467 C TRP A 36 6.213 -6.302 -2.529 1.00 0.00 C ATOM 468 O TRP A 36 6.605 -6.612 -1.405 1.00 0.00 O ATOM 469 CB TRP A 36 4.174 -4.844 -3.006 1.00 0.00 C ATOM 470 CG TRP A 36 4.526 -3.911 -1.845 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.614 -3.141 -1.705 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.737 -3.679 -0.659 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.584 -2.433 -0.521 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.406 -2.770 0.135 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.498 -4.219 -0.270 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.916 -2.322 1.368 1.00 0.00 C ATOM 477 CZ3 TRP A 36 2.022 -3.761 0.964 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.683 -2.847 1.775 1.00 0.00 C ATOM 0 H TRP A 36 4.512 -7.014 -0.900 1.00 0.00 H new ATOM 0 HA TRP A 36 4.554 -6.747 -3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.563 -4.419 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.090 -4.889 -3.107 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.414 -3.082 -2.428 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.295 -1.782 -0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.957 -4.931 -0.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.459 -1.610 1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.074 -4.145 1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.248 -2.543 2.715 1.00 0.00 H new ATOM 489 N LYS A 37 7.008 -5.982 -3.539 1.00 0.00 N ATOM 490 CA LYS A 37 8.453 -5.975 -3.381 1.00 0.00 C ATOM 491 C LYS A 37 8.992 -4.586 -3.728 1.00 0.00 C ATOM 492 O LYS A 37 8.276 -3.761 -4.293 1.00 0.00 O ATOM 493 CB LYS A 37 9.087 -7.102 -4.198 1.00 0.00 C ATOM 494 CG LYS A 37 8.877 -8.457 -3.519 1.00 0.00 C ATOM 495 CD LYS A 37 9.482 -9.588 -4.352 1.00 0.00 C ATOM 496 CE LYS A 37 10.975 -9.747 -4.058 1.00 0.00 C ATOM 497 NZ LYS A 37 11.654 -10.431 -5.182 1.00 0.00 N ATOM 0 H LYS A 37 6.679 -5.726 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 37 8.724 -6.173 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.652 -7.121 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.154 -6.913 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.333 -8.446 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.811 -8.635 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.963 -10.522 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.336 -9.382 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.426 -8.768 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.112 -10.319 -3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.667 -10.531 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.235 -11.373 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.538 -9.870 -6.050 1.00 0.00 H new ATOM 511 N ALA A 38 10.251 -4.370 -3.375 1.00 0.00 N ATOM 512 CA ALA A 38 10.895 -3.095 -3.641 1.00 0.00 C ATOM 513 C ALA A 38 10.597 -2.669 -5.081 1.00 0.00 C ATOM 514 O ALA A 38 10.499 -3.510 -5.973 1.00 0.00 O ATOM 515 CB ALA A 38 12.395 -3.213 -3.367 1.00 0.00 C ATOM 0 H ALA A 38 10.842 -5.057 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 38 10.503 -2.322 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.878 -2.256 -3.567 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.554 -3.489 -2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.824 -3.978 -4.014 1.00 0.00 H new ATOM 521 N PRO A 39 10.458 -1.329 -5.267 1.00 0.00 N ATOM 522 CA PRO A 39 10.174 -0.782 -6.582 1.00 0.00 C ATOM 523 C PRO A 39 11.420 -0.811 -7.469 1.00 0.00 C ATOM 524 O PRO A 39 12.462 -1.326 -7.066 1.00 0.00 O ATOM 525 CB PRO A 39 9.664 0.626 -6.321 1.00 0.00 C ATOM 526 CG PRO A 39 10.117 0.979 -4.914 1.00 0.00 C ATOM 527 CD PRO A 39 10.568 -0.304 -4.233 1.00 0.00 C ATOM 0 HA PRO A 39 9.433 -1.365 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.068 1.329 -7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.578 0.670 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.933 1.701 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.303 1.442 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.591 -0.219 -3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.940 -0.539 -3.374 1.00 0.00 H new ATOM 535 N LYS A 40 11.273 -0.251 -8.661 1.00 0.00 N ATOM 536 CA LYS A 40 12.373 -0.206 -9.608 1.00 0.00 C ATOM 537 C LYS A 40 13.675 0.083 -8.858 1.00 0.00 C ATOM 538 O LYS A 40 13.697 0.898 -7.936 1.00 0.00 O ATOM 539 CB LYS A 40 12.075 0.792 -10.729 1.00 0.00 C ATOM 540 CG LYS A 40 11.585 0.073 -11.988 1.00 0.00 C ATOM 541 CD LYS A 40 10.162 0.505 -12.347 1.00 0.00 C ATOM 542 CE LYS A 40 9.175 -0.650 -12.166 1.00 0.00 C ATOM 543 NZ LYS A 40 7.836 -0.135 -11.805 1.00 0.00 N ATOM 0 H LYS A 40 10.408 0.176 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 40 12.494 -1.173 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.320 1.504 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.973 1.365 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.256 0.290 -12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.613 -1.005 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.864 1.344 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.134 0.854 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.112 -1.230 -13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.534 -1.324 -11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.129 -0.887 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.839 0.173 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.598 0.672 -12.416 1.00 0.00 H new ATOM 557 N LYS A 41 14.728 -0.600 -9.281 1.00 0.00 N ATOM 558 CA LYS A 41 16.031 -0.427 -8.660 1.00 0.00 C ATOM 559 C LYS A 41 16.534 0.993 -8.928 1.00 0.00 C ATOM 560 O LYS A 41 16.915 1.705 -8.000 1.00 0.00 O ATOM 561 CB LYS A 41 16.996 -1.519 -9.126 1.00 0.00 C ATOM 562 CG LYS A 41 18.450 -1.074 -8.959 1.00 0.00 C ATOM 563 CD LYS A 41 18.839 -1.013 -7.481 1.00 0.00 C ATOM 564 CE LYS A 41 19.891 0.071 -7.235 1.00 0.00 C ATOM 565 NZ LYS A 41 20.676 -0.235 -6.018 1.00 0.00 N ATOM 0 H LYS A 41 14.706 -1.274 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 41 15.956 -0.541 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.823 -2.430 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.803 -1.758 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.108 -1.766 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.589 -0.094 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.955 -0.810 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.227 -1.981 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.556 0.142 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.404 1.040 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.385 0.510 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.040 -0.280 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.156 -1.150 -6.135 1.00 0.00 H new ATOM 579 N GLU A 42 16.518 1.362 -10.200 1.00 0.00 N ATOM 580 CA GLU A 42 16.968 2.684 -10.602 1.00 0.00 C ATOM 581 C GLU A 42 15.807 3.678 -10.549 1.00 0.00 C ATOM 582 O GLU A 42 15.602 4.450 -11.485 1.00 0.00 O ATOM 583 CB GLU A 42 17.597 2.649 -11.996 1.00 0.00 C ATOM 584 CG GLU A 42 16.536 2.404 -13.070 1.00 0.00 C ATOM 585 CD GLU A 42 17.157 1.781 -14.322 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.257 0.535 -14.345 1.00 0.00 O ATOM 587 OE2 GLU A 42 17.517 2.564 -15.227 1.00 0.00 O ATOM 0 H GLU A 42 16.200 0.768 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 42 17.735 3.014 -9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.107 3.592 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.351 1.863 -12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.761 1.745 -12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.052 3.346 -13.330 1.00 0.00 H new ATOM 594 N LEU A 43 15.076 3.628 -9.445 1.00 0.00 N ATOM 595 CA LEU A 43 13.940 4.515 -9.258 1.00 0.00 C ATOM 596 C LEU A 43 13.805 4.857 -7.773 1.00 0.00 C ATOM 597 O LEU A 43 13.597 6.016 -7.415 1.00 0.00 O ATOM 598 CB LEU A 43 12.677 3.903 -9.866 1.00 0.00 C ATOM 599 CG LEU A 43 12.505 4.080 -11.376 1.00 0.00 C ATOM 600 CD1 LEU A 43 11.162 3.517 -11.844 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.686 5.544 -11.780 1.00 0.00 C ATOM 0 H LEU A 43 15.248 2.987 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 43 14.098 5.454 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.670 2.836 -9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.811 4.338 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 43 13.286 3.509 -11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.065 3.655 -12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.111 2.454 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.351 4.040 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.559 5.642 -12.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.943 6.157 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.685 5.878 -11.501 1.00 0.00 H new ATOM 613 N GLN A 44 13.928 3.828 -6.948 1.00 0.00 N ATOM 614 CA GLN A 44 13.822 4.005 -5.509 1.00 0.00 C ATOM 615 C GLN A 44 14.372 5.373 -5.101 1.00 0.00 C ATOM 616 O GLN A 44 13.753 6.085 -4.311 1.00 0.00 O ATOM 617 CB GLN A 44 14.543 2.880 -4.764 1.00 0.00 C ATOM 618 CG GLN A 44 13.962 1.515 -5.137 1.00 0.00 C ATOM 619 CD GLN A 44 15.065 0.554 -5.588 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.192 0.941 -5.849 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.678 -0.716 -5.664 1.00 0.00 N ATOM 0 H GLN A 44 14.100 2.868 -7.248 1.00 0.00 H new ATOM 0 HA GLN A 44 12.768 3.962 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.606 2.904 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.454 3.036 -3.689 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.435 1.094 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.229 1.633 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.718 -0.972 -5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.341 -1.435 -5.955 1.00 0.00 H new ATOM 630 N ASN A 45 15.529 5.701 -5.658 1.00 0.00 N ATOM 631 CA ASN A 45 16.169 6.971 -5.361 1.00 0.00 C ATOM 632 C ASN A 45 16.461 7.053 -3.862 1.00 0.00 C ATOM 633 O ASN A 45 16.018 7.982 -3.189 1.00 0.00 O ATOM 634 CB ASN A 45 15.260 8.145 -5.730 1.00 0.00 C ATOM 635 CG ASN A 45 15.252 8.379 -7.242 1.00 0.00 C ATOM 636 OD1 ASN A 45 16.243 8.194 -7.930 1.00 0.00 O ATOM 637 ND2 ASN A 45 14.082 8.794 -7.720 1.00 0.00 N ATOM 0 H ASN A 45 16.039 5.109 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 45 17.088 7.029 -5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.246 7.947 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.600 9.047 -5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.975 8.977 -8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.292 8.929 -7.089 1.00 0.00 H new ATOM 644 N GLY A 46 17.205 6.067 -3.382 1.00 0.00 N ATOM 645 CA GLY A 46 17.562 6.016 -1.974 1.00 0.00 C ATOM 646 C GLY A 46 16.735 4.960 -1.238 1.00 0.00 C ATOM 647 O GLY A 46 15.937 4.252 -1.851 1.00 0.00 O ATOM 0 H GLY A 46 17.570 5.297 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.623 5.789 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.400 6.993 -1.518 1.00 0.00 H new ATOM 651 N VAL A 47 16.954 4.888 0.067 1.00 0.00 N ATOM 652 CA VAL A 47 16.239 3.930 0.894 1.00 0.00 C ATOM 653 C VAL A 47 14.760 4.317 0.952 1.00 0.00 C ATOM 654 O VAL A 47 14.377 5.391 0.490 1.00 0.00 O ATOM 655 CB VAL A 47 16.889 3.844 2.276 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.630 5.117 3.084 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.406 2.606 3.034 1.00 0.00 C ATOM 0 H VAL A 47 17.616 5.477 0.572 1.00 0.00 H new ATOM 0 HA VAL A 47 16.297 2.932 0.460 1.00 0.00 H new ATOM 0 HB VAL A 47 17.966 3.750 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.103 5.030 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.046 5.975 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.556 5.255 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.884 2.569 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.324 2.655 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.665 1.710 2.470 1.00 0.00 H new ATOM 667 N ILE A 48 13.969 3.422 1.524 1.00 0.00 N ATOM 668 CA ILE A 48 12.540 3.656 1.649 1.00 0.00 C ATOM 669 C ILE A 48 12.147 3.610 3.127 1.00 0.00 C ATOM 670 O ILE A 48 12.503 2.672 3.838 1.00 0.00 O ATOM 671 CB ILE A 48 11.758 2.675 0.773 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.404 2.536 -0.607 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.285 3.078 0.679 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.146 3.779 -1.460 1.00 0.00 C ATOM 0 H ILE A 48 14.290 2.533 1.906 1.00 0.00 H new ATOM 0 HA ILE A 48 12.283 4.650 1.282 1.00 0.00 H new ATOM 0 HB ILE A 48 11.794 1.693 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.477 2.383 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.007 1.655 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.752 2.364 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.845 3.083 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.207 4.074 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.616 3.655 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.072 3.915 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.566 4.654 -0.964 1.00 0.00 H new ATOM 686 N ARG A 49 11.418 4.635 3.544 1.00 0.00 N ATOM 687 CA ARG A 49 10.973 4.723 4.924 1.00 0.00 C ATOM 688 C ARG A 49 9.737 3.847 5.141 1.00 0.00 C ATOM 689 O ARG A 49 9.577 3.244 6.201 1.00 0.00 O ATOM 690 CB ARG A 49 10.639 6.167 5.304 1.00 0.00 C ATOM 691 CG ARG A 49 11.878 7.059 5.210 1.00 0.00 C ATOM 692 CD ARG A 49 12.313 7.542 6.595 1.00 0.00 C ATOM 693 NE ARG A 49 13.790 7.617 6.664 1.00 0.00 N ATOM 694 CZ ARG A 49 14.591 6.551 6.792 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.064 5.322 6.866 1.00 0.00 N ATOM 696 NH2 ARG A 49 15.920 6.715 6.846 1.00 0.00 N ATOM 0 H ARG A 49 11.125 5.411 2.951 1.00 0.00 H new ATOM 0 HA ARG A 49 11.787 4.371 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.860 6.550 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.241 6.197 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.693 6.507 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.665 7.917 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.881 8.521 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.939 6.862 7.360 1.00 0.00 H new ATOM 0 HE ARG A 49 14.225 8.538 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.052 5.198 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.674 4.510 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.321 7.651 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.530 5.904 6.943 1.00 0.00 H new ATOM 710 N GLY A 50 8.895 3.805 4.119 1.00 0.00 N ATOM 711 CA GLY A 50 7.678 3.013 4.184 1.00 0.00 C ATOM 712 C GLY A 50 6.838 3.193 2.917 1.00 0.00 C ATOM 713 O GLY A 50 7.169 4.011 2.060 1.00 0.00 O ATOM 0 H GLY A 50 9.031 4.306 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.931 1.960 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.094 3.307 5.056 1.00 0.00 H new ATOM 717 N TYR A 51 5.768 2.416 2.840 1.00 0.00 N ATOM 718 CA TYR A 51 4.879 2.480 1.693 1.00 0.00 C ATOM 719 C TYR A 51 3.425 2.654 2.135 1.00 0.00 C ATOM 720 O TYR A 51 3.018 2.121 3.167 1.00 0.00 O ATOM 721 CB TYR A 51 5.022 1.137 0.973 1.00 0.00 C ATOM 722 CG TYR A 51 6.397 0.914 0.340 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.524 0.865 1.136 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.511 0.762 -1.027 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.818 0.656 0.541 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.805 0.552 -1.622 1.00 0.00 C ATOM 727 CZ TYR A 51 8.895 0.509 -0.809 1.00 0.00 C ATOM 728 OH TYR A 51 10.117 0.311 -1.372 1.00 0.00 O ATOM 0 H TYR A 51 5.497 1.739 3.553 1.00 0.00 H new ATOM 0 HA TYR A 51 5.136 3.326 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.825 0.333 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.260 1.070 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.435 0.984 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.630 0.801 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.707 0.617 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.908 0.431 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 51 10.348 -0.640 -1.326 1.00 0.00 H new ATOM 738 N GLN A 52 2.681 3.403 1.334 1.00 0.00 N ATOM 739 CA GLN A 52 1.281 3.655 1.630 1.00 0.00 C ATOM 740 C GLN A 52 0.393 2.655 0.887 1.00 0.00 C ATOM 741 O GLN A 52 0.577 2.424 -0.307 1.00 0.00 O ATOM 742 CB GLN A 52 0.897 5.094 1.281 1.00 0.00 C ATOM 743 CG GLN A 52 1.185 6.037 2.451 1.00 0.00 C ATOM 744 CD GLN A 52 0.709 7.458 2.139 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.554 7.851 0.995 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.487 8.203 3.219 1.00 0.00 N ATOM 0 H GLN A 52 3.022 3.844 0.480 1.00 0.00 H new ATOM 0 HA GLN A 52 1.127 3.522 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.453 5.419 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.161 5.140 1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.687 5.671 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.254 6.046 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.637 7.811 4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.167 9.166 3.117 1.00 0.00 H new ATOM 755 N ILE A 53 -0.550 2.088 1.624 1.00 0.00 N ATOM 756 CA ILE A 53 -1.467 1.118 1.050 1.00 0.00 C ATOM 757 C ILE A 53 -2.879 1.707 1.030 1.00 0.00 C ATOM 758 O ILE A 53 -3.594 1.649 2.029 1.00 0.00 O ATOM 759 CB ILE A 53 -1.368 -0.217 1.791 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.027 -0.826 1.640 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.466 -1.180 1.336 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.024 -0.154 2.586 1.00 0.00 C ATOM 0 H ILE A 53 -0.699 2.282 2.614 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.196 0.903 0.016 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.524 -0.030 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.014 -1.895 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.366 -0.716 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.372 -2.121 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.443 -0.740 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.366 -1.366 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.008 -0.606 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.081 0.910 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.694 -0.287 3.616 1.00 0.00 H new ATOM 774 N GLY A 54 -3.238 2.261 -0.119 1.00 0.00 N ATOM 775 CA GLY A 54 -4.552 2.860 -0.282 1.00 0.00 C ATOM 776 C GLY A 54 -5.562 1.833 -0.799 1.00 0.00 C ATOM 777 O GLY A 54 -5.317 1.168 -1.804 1.00 0.00 O ATOM 0 H GLY A 54 -2.642 2.308 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.893 3.263 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.490 3.697 -0.978 1.00 0.00 H new ATOM 781 N TYR A 55 -6.676 1.738 -0.089 1.00 0.00 N ATOM 782 CA TYR A 55 -7.725 0.804 -0.464 1.00 0.00 C ATOM 783 C TYR A 55 -9.109 1.386 -0.168 1.00 0.00 C ATOM 784 O TYR A 55 -9.283 2.118 0.805 1.00 0.00 O ATOM 785 CB TYR A 55 -7.512 -0.439 0.402 1.00 0.00 C ATOM 786 CG TYR A 55 -7.849 -0.233 1.880 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.893 0.258 2.745 1.00 0.00 C ATOM 788 CD2 TYR A 55 -9.111 -0.539 2.349 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.210 0.452 4.136 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.429 -0.345 3.740 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.463 0.141 4.565 1.00 0.00 C ATOM 792 OH TYR A 55 -8.763 0.324 5.878 1.00 0.00 O ATOM 0 H TYR A 55 -6.876 2.292 0.744 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.679 0.584 -1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.124 -1.251 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.472 -0.754 0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.906 0.497 2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.860 -0.924 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.470 0.836 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.412 -0.580 4.120 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.693 0.061 6.041 1.00 0.00 H new ATOM 802 N ARG A 56 -10.057 1.038 -1.026 1.00 0.00 N ATOM 803 CA ARG A 56 -11.420 1.517 -0.869 1.00 0.00 C ATOM 804 C ARG A 56 -12.399 0.566 -1.560 1.00 0.00 C ATOM 805 O ARG A 56 -12.037 -0.116 -2.518 1.00 0.00 O ATOM 806 CB ARG A 56 -11.582 2.920 -1.456 1.00 0.00 C ATOM 807 CG ARG A 56 -10.901 3.025 -2.822 1.00 0.00 C ATOM 808 CD ARG A 56 -11.684 3.949 -3.756 1.00 0.00 C ATOM 809 NE ARG A 56 -11.343 5.361 -3.474 1.00 0.00 N ATOM 810 CZ ARG A 56 -11.734 6.395 -4.231 1.00 0.00 C ATOM 811 NH1 ARG A 56 -12.483 6.181 -5.322 1.00 0.00 N ATOM 812 NH2 ARG A 56 -11.377 7.643 -3.899 1.00 0.00 N ATOM 0 H ARG A 56 -9.908 0.430 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.637 1.555 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.641 3.157 -1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.153 3.655 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.886 3.403 -2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.820 2.034 -3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.453 3.711 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.754 3.791 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.774 5.560 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.755 5.231 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.781 6.968 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.807 7.807 -3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.675 8.429 -4.476 1.00 0.00 H new ATOM 826 N GLU A 57 -13.621 0.550 -1.047 1.00 0.00 N ATOM 827 CA GLU A 57 -14.655 -0.306 -1.603 1.00 0.00 C ATOM 828 C GLU A 57 -15.109 0.226 -2.964 1.00 0.00 C ATOM 829 O GLU A 57 -15.101 1.433 -3.197 1.00 0.00 O ATOM 830 CB GLU A 57 -15.838 -0.432 -0.641 1.00 0.00 C ATOM 831 CG GLU A 57 -16.288 -1.888 -0.512 1.00 0.00 C ATOM 832 CD GLU A 57 -17.512 -2.164 -1.387 1.00 0.00 C ATOM 833 OE1 GLU A 57 -17.341 -2.144 -2.625 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.592 -2.387 -0.799 1.00 0.00 O ATOM 0 H GLU A 57 -13.918 1.116 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.237 -1.303 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.557 -0.047 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.668 0.178 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.473 -2.551 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.524 -2.108 0.529 1.00 0.00 H new ATOM 841 N ASN A 58 -15.495 -0.703 -3.827 1.00 0.00 N ATOM 842 CA ASN A 58 -15.952 -0.343 -5.158 1.00 0.00 C ATOM 843 C ASN A 58 -17.482 -0.350 -5.187 1.00 0.00 C ATOM 844 O ASN A 58 -18.085 -0.697 -6.202 1.00 0.00 O ATOM 845 CB ASN A 58 -15.454 -1.346 -6.201 1.00 0.00 C ATOM 846 CG ASN A 58 -14.102 -0.917 -6.773 1.00 0.00 C ATOM 847 OD1 ASN A 58 -14.008 -0.070 -7.647 1.00 0.00 O ATOM 848 ND2 ASN A 58 -13.062 -1.546 -6.233 1.00 0.00 N ATOM 0 H ASN A 58 -15.500 -1.704 -3.630 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.560 0.646 -5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.364 -2.333 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.183 -1.431 -7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.116 -1.330 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.210 -2.245 -5.505 1.00 0.00 H new ATOM 855 N SER A 59 -18.065 0.036 -4.062 1.00 0.00 N ATOM 856 CA SER A 59 -19.513 0.078 -3.946 1.00 0.00 C ATOM 857 C SER A 59 -19.982 1.524 -3.777 1.00 0.00 C ATOM 858 O SER A 59 -19.221 2.380 -3.328 1.00 0.00 O ATOM 859 CB SER A 59 -19.996 -0.777 -2.774 1.00 0.00 C ATOM 860 OG SER A 59 -19.733 -0.159 -1.517 1.00 0.00 O ATOM 0 H SER A 59 -17.561 0.323 -3.223 1.00 0.00 H new ATOM 0 HA SER A 59 -19.942 -0.332 -4.860 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.067 -0.956 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 59 -19.506 -1.750 -2.809 1.00 0.00 H new ATOM 0 HG SER A 59 -19.515 -0.847 -0.854 1.00 0.00 H new ATOM 866 N PRO A 60 -21.267 1.759 -4.156 1.00 0.00 N ATOM 867 CA PRO A 60 -21.847 3.087 -4.051 1.00 0.00 C ATOM 868 C PRO A 60 -22.177 3.428 -2.596 1.00 0.00 C ATOM 869 O PRO A 60 -23.320 3.285 -2.165 1.00 0.00 O ATOM 870 CB PRO A 60 -23.075 3.052 -4.945 1.00 0.00 C ATOM 871 CG PRO A 60 -23.399 1.581 -5.151 1.00 0.00 C ATOM 872 CD PRO A 60 -22.198 0.771 -4.692 1.00 0.00 C ATOM 0 HA PRO A 60 -21.161 3.872 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -23.911 3.575 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -22.879 3.546 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -24.287 1.302 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -23.616 1.381 -6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -22.480 0.040 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -21.754 0.217 -5.519 1.00 0.00 H new ATOM 880 N GLY A 61 -21.155 3.872 -1.879 1.00 0.00 N ATOM 881 CA GLY A 61 -21.322 4.235 -0.482 1.00 0.00 C ATOM 882 C GLY A 61 -20.151 3.724 0.360 1.00 0.00 C ATOM 883 O GLY A 61 -20.353 3.175 1.442 1.00 0.00 O ATOM 0 H GLY A 61 -20.208 3.989 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.395 5.319 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.256 3.819 -0.103 1.00 0.00 H new ATOM 887 N SER A 62 -18.952 3.922 -0.168 1.00 0.00 N ATOM 888 CA SER A 62 -17.749 3.488 0.521 1.00 0.00 C ATOM 889 C SER A 62 -17.258 4.591 1.460 1.00 0.00 C ATOM 890 O SER A 62 -17.816 5.687 1.483 1.00 0.00 O ATOM 891 CB SER A 62 -16.651 3.109 -0.473 1.00 0.00 C ATOM 892 OG SER A 62 -15.383 2.964 0.161 1.00 0.00 O ATOM 0 H SER A 62 -18.788 4.378 -1.066 1.00 0.00 H new ATOM 0 HA SER A 62 -17.991 2.602 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.917 2.175 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.584 3.873 -1.247 1.00 0.00 H new ATOM 0 HG SER A 62 -15.373 2.137 0.687 1.00 0.00 H new ATOM 898 N ASN A 63 -16.217 4.264 2.213 1.00 0.00 N ATOM 899 CA ASN A 63 -15.644 5.214 3.151 1.00 0.00 C ATOM 900 C ASN A 63 -15.590 6.598 2.501 1.00 0.00 C ATOM 901 O ASN A 63 -16.037 7.582 3.089 1.00 0.00 O ATOM 902 CB ASN A 63 -14.218 4.816 3.535 1.00 0.00 C ATOM 903 CG ASN A 63 -13.980 5.006 5.035 1.00 0.00 C ATOM 904 OD1 ASN A 63 -14.759 5.628 5.739 1.00 0.00 O ATOM 905 ND2 ASN A 63 -12.865 4.437 5.482 1.00 0.00 N ATOM 0 H ASN A 63 -15.756 3.354 2.192 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.269 5.224 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.042 3.775 3.264 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.505 5.417 2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.617 4.507 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.257 3.931 4.838 1.00 0.00 H new ATOM 912 N GLY A 64 -15.040 6.629 1.296 1.00 0.00 N ATOM 913 CA GLY A 64 -14.922 7.876 0.559 1.00 0.00 C ATOM 914 C GLY A 64 -13.629 7.910 -0.257 1.00 0.00 C ATOM 915 O GLY A 64 -13.642 7.655 -1.460 1.00 0.00 O ATOM 0 H GLY A 64 -14.671 5.811 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.778 7.993 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.940 8.716 1.253 1.00 0.00 H new ATOM 919 N GLN A 65 -12.541 8.228 0.431 1.00 0.00 N ATOM 920 CA GLN A 65 -11.242 8.299 -0.215 1.00 0.00 C ATOM 921 C GLN A 65 -10.404 7.069 0.140 1.00 0.00 C ATOM 922 O GLN A 65 -10.487 6.558 1.256 1.00 0.00 O ATOM 923 CB GLN A 65 -10.511 9.588 0.165 1.00 0.00 C ATOM 924 CG GLN A 65 -10.375 9.715 1.683 1.00 0.00 C ATOM 925 CD GLN A 65 -9.021 10.317 2.065 1.00 0.00 C ATOM 926 OE1 GLN A 65 -8.928 11.398 2.622 1.00 0.00 O ATOM 927 NE2 GLN A 65 -7.980 9.558 1.735 1.00 0.00 N ATOM 0 H GLN A 65 -12.533 8.439 1.429 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.395 8.311 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.522 9.598 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.054 10.447 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.178 10.341 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.484 8.734 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.129 8.663 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.033 9.871 1.947 1.00 0.00 H new ATOM 936 N TYR A 66 -9.618 6.628 -0.831 1.00 0.00 N ATOM 937 CA TYR A 66 -8.766 5.467 -0.635 1.00 0.00 C ATOM 938 C TYR A 66 -8.156 5.465 0.769 1.00 0.00 C ATOM 939 O TYR A 66 -7.373 6.350 1.110 1.00 0.00 O ATOM 940 CB TYR A 66 -7.643 5.589 -1.666 1.00 0.00 C ATOM 941 CG TYR A 66 -7.954 4.923 -3.008 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.581 5.641 -4.006 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.609 3.604 -3.220 1.00 0.00 C ATOM 944 CE1 TYR A 66 -8.875 5.014 -5.268 1.00 0.00 C ATOM 945 CE2 TYR A 66 -7.902 2.977 -4.483 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.521 3.713 -5.445 1.00 0.00 C ATOM 947 OH TYR A 66 -8.798 3.121 -6.637 1.00 0.00 O ATOM 0 H TYR A 66 -9.553 7.054 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.339 4.547 -0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.433 6.645 -1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.736 5.146 -1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.851 6.673 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.119 3.042 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.366 5.565 -6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.636 1.946 -4.662 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.953 2.163 -6.498 1.00 0.00 H new ATOM 957 N SER A 67 -8.538 4.461 1.544 1.00 0.00 N ATOM 958 CA SER A 67 -8.038 4.333 2.902 1.00 0.00 C ATOM 959 C SER A 67 -6.525 4.105 2.884 1.00 0.00 C ATOM 960 O SER A 67 -6.061 3.026 2.519 1.00 0.00 O ATOM 961 CB SER A 67 -8.738 3.190 3.641 1.00 0.00 C ATOM 962 OG SER A 67 -10.082 3.518 3.981 1.00 0.00 O ATOM 0 H SER A 67 -9.188 3.729 1.258 1.00 0.00 H new ATOM 0 HA SER A 67 -8.253 5.260 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.730 2.296 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.183 2.951 4.548 1.00 0.00 H new ATOM 0 HG SER A 67 -10.495 2.763 4.450 1.00 0.00 H new ATOM 968 N ILE A 68 -5.799 5.139 3.282 1.00 0.00 N ATOM 969 CA ILE A 68 -4.348 5.065 3.316 1.00 0.00 C ATOM 970 C ILE A 68 -3.904 4.454 4.647 1.00 0.00 C ATOM 971 O ILE A 68 -4.591 4.592 5.658 1.00 0.00 O ATOM 972 CB ILE A 68 -3.735 6.438 3.035 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.007 6.875 1.594 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.241 6.450 3.365 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.428 5.869 0.597 1.00 0.00 C ATOM 0 H ILE A 68 -6.188 6.032 3.584 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.981 4.410 2.526 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.215 7.166 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.081 6.972 1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.570 7.858 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.830 7.438 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.099 6.214 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.728 5.707 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.635 6.204 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.350 5.793 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.885 4.893 0.758 1.00 0.00 H new ATOM 987 N VAL A 69 -2.757 3.792 4.604 1.00 0.00 N ATOM 988 CA VAL A 69 -2.213 3.160 5.794 1.00 0.00 C ATOM 989 C VAL A 69 -0.689 3.296 5.787 1.00 0.00 C ATOM 990 O VAL A 69 -0.019 2.769 4.901 1.00 0.00 O ATOM 991 CB VAL A 69 -2.682 1.706 5.875 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.950 1.585 6.723 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.900 1.121 4.478 1.00 0.00 C ATOM 0 H VAL A 69 -2.190 3.680 3.764 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.580 3.657 6.692 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.896 1.128 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.262 0.541 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.748 1.944 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.744 2.184 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.233 0.087 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.658 1.703 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.965 1.155 3.919 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.186 4.007 6.786 1.00 0.00 N ATOM 1004 CA GLU A 70 1.246 4.220 6.907 1.00 0.00 C ATOM 1005 C GLU A 70 1.912 2.997 7.541 1.00 0.00 C ATOM 1006 O GLU A 70 1.372 2.405 8.474 1.00 0.00 O ATOM 1007 CB GLU A 70 1.546 5.487 7.709 1.00 0.00 C ATOM 1008 CG GLU A 70 2.959 5.442 8.296 1.00 0.00 C ATOM 1009 CD GLU A 70 3.578 6.841 8.341 1.00 0.00 C ATOM 1010 OE1 GLU A 70 2.819 7.788 8.639 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.796 6.931 8.077 1.00 0.00 O ATOM 0 H GLU A 70 -0.745 4.443 7.519 1.00 0.00 H new ATOM 0 HA GLU A 70 1.660 4.357 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.443 6.361 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.818 5.594 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.926 5.022 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.585 4.782 7.696 1.00 0.00 H new ATOM 1018 N MET A 71 3.077 2.656 7.010 1.00 0.00 N ATOM 1019 CA MET A 71 3.823 1.515 7.514 1.00 0.00 C ATOM 1020 C MET A 71 5.331 1.751 7.397 1.00 0.00 C ATOM 1021 O MET A 71 5.763 2.791 6.904 1.00 0.00 O ATOM 1022 CB MET A 71 3.439 0.264 6.721 1.00 0.00 C ATOM 1023 CG MET A 71 3.982 0.332 5.292 1.00 0.00 C ATOM 1024 SD MET A 71 5.613 -0.391 5.224 1.00 0.00 S ATOM 1025 CE MET A 71 5.230 -1.947 4.437 1.00 0.00 C ATOM 0 H MET A 71 3.523 3.149 6.236 1.00 0.00 H new ATOM 0 HA MET A 71 3.576 1.379 8.567 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.831 -0.622 7.221 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.354 0.163 6.697 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.312 -0.197 4.614 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.020 1.369 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.612 -2.766 5.046 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.149 -2.046 4.333 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.694 -1.980 3.451 1.00 0.00 H new ATOM 1035 N LYS A 72 6.089 0.767 7.858 1.00 0.00 N ATOM 1036 CA LYS A 72 7.538 0.854 7.811 1.00 0.00 C ATOM 1037 C LYS A 72 8.089 -0.316 6.993 1.00 0.00 C ATOM 1038 O LYS A 72 7.516 -1.404 6.996 1.00 0.00 O ATOM 1039 CB LYS A 72 8.116 0.941 9.225 1.00 0.00 C ATOM 1040 CG LYS A 72 7.945 -0.384 9.970 1.00 0.00 C ATOM 1041 CD LYS A 72 9.297 -0.929 10.436 1.00 0.00 C ATOM 1042 CE LYS A 72 9.114 -2.152 11.337 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.580 -3.377 10.648 1.00 0.00 N ATOM 0 H LYS A 72 5.726 -0.095 8.266 1.00 0.00 H new ATOM 0 HA LYS A 72 7.848 1.770 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.174 1.200 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.619 1.739 9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.291 -0.240 10.830 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.460 -1.112 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.903 -1.198 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.839 -0.153 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.671 -2.015 12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.064 -2.257 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.779 -4.027 10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.976 -3.124 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.312 -3.841 11.222 1.00 0.00 H new ATOM 1057 N ALA A 73 9.195 -0.052 6.313 1.00 0.00 N ATOM 1058 CA ALA A 73 9.830 -1.069 5.492 1.00 0.00 C ATOM 1059 C ALA A 73 10.615 -2.026 6.391 1.00 0.00 C ATOM 1060 O ALA A 73 11.547 -1.613 7.080 1.00 0.00 O ATOM 1061 CB ALA A 73 10.715 -0.398 4.441 1.00 0.00 C ATOM 0 H ALA A 73 9.668 0.852 6.314 1.00 0.00 H new ATOM 0 HA ALA A 73 9.081 -1.656 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.191 -1.161 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.105 0.248 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.481 0.198 4.937 1.00 0.00 H new ATOM 1067 N THR A 74 10.210 -3.287 6.355 1.00 0.00 N ATOM 1068 CA THR A 74 10.864 -4.307 7.158 1.00 0.00 C ATOM 1069 C THR A 74 11.863 -5.095 6.308 1.00 0.00 C ATOM 1070 O THR A 74 12.183 -6.241 6.622 1.00 0.00 O ATOM 1071 CB THR A 74 9.779 -5.182 7.787 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.395 -6.067 6.738 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.502 -4.398 8.099 1.00 0.00 C ATOM 0 H THR A 74 9.437 -3.626 5.782 1.00 0.00 H new ATOM 0 HA THR A 74 11.449 -3.862 7.963 1.00 0.00 H new ATOM 0 HB THR A 74 10.162 -5.632 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.060 -5.547 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.764 -5.066 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.731 -3.593 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.100 -3.976 7.178 1.00 0.00 H new ATOM 1081 N GLY A 75 12.329 -4.450 5.248 1.00 0.00 N ATOM 1082 CA GLY A 75 13.285 -5.076 4.351 1.00 0.00 C ATOM 1083 C GLY A 75 12.988 -4.714 2.895 1.00 0.00 C ATOM 1084 O GLY A 75 12.460 -3.639 2.614 1.00 0.00 O ATOM 0 H GLY A 75 12.062 -3.500 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.295 -4.758 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.251 -6.158 4.475 1.00 0.00 H new ATOM 1088 N ASP A 76 13.342 -5.631 2.006 1.00 0.00 N ATOM 1089 CA ASP A 76 13.120 -5.422 0.586 1.00 0.00 C ATOM 1090 C ASP A 76 11.647 -5.674 0.261 1.00 0.00 C ATOM 1091 O ASP A 76 11.020 -4.889 -0.448 1.00 0.00 O ATOM 1092 CB ASP A 76 13.961 -6.388 -0.251 1.00 0.00 C ATOM 1093 CG ASP A 76 15.443 -6.447 0.124 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.191 -5.580 -0.377 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.795 -7.359 0.904 1.00 0.00 O ATOM 0 H ASP A 76 13.781 -6.521 2.242 1.00 0.00 H new ATOM 0 HA ASP A 76 13.404 -4.397 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.538 -7.388 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.878 -6.103 -1.300 1.00 0.00 H new ATOM 1100 N SER A 77 11.136 -6.774 0.795 1.00 0.00 N ATOM 1101 CA SER A 77 9.748 -7.140 0.571 1.00 0.00 C ATOM 1102 C SER A 77 8.890 -6.688 1.755 1.00 0.00 C ATOM 1103 O SER A 77 9.336 -6.729 2.901 1.00 0.00 O ATOM 1104 CB SER A 77 9.604 -8.648 0.356 1.00 0.00 C ATOM 1105 OG SER A 77 9.920 -9.388 1.532 1.00 0.00 O ATOM 0 H SER A 77 11.659 -7.424 1.382 1.00 0.00 H new ATOM 0 HA SER A 77 9.403 -6.637 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.583 -8.874 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.259 -8.962 -0.457 1.00 0.00 H new ATOM 0 HG SER A 77 9.814 -10.346 1.354 1.00 0.00 H new ATOM 1111 N GLU A 78 7.674 -6.268 1.437 1.00 0.00 N ATOM 1112 CA GLU A 78 6.750 -5.809 2.460 1.00 0.00 C ATOM 1113 C GLU A 78 5.354 -6.383 2.210 1.00 0.00 C ATOM 1114 O GLU A 78 5.034 -6.782 1.092 1.00 0.00 O ATOM 1115 CB GLU A 78 6.712 -4.281 2.520 1.00 0.00 C ATOM 1116 CG GLU A 78 8.114 -3.691 2.349 1.00 0.00 C ATOM 1117 CD GLU A 78 9.030 -4.113 3.500 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.504 -4.241 4.627 1.00 0.00 O ATOM 1119 OE2 GLU A 78 10.236 -4.297 3.227 1.00 0.00 O ATOM 0 H GLU A 78 7.308 -6.236 0.486 1.00 0.00 H new ATOM 0 HA GLU A 78 7.102 -6.168 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.055 -3.899 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.293 -3.961 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.539 -4.022 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.052 -2.604 2.308 1.00 0.00 H new ATOM 1126 N VAL A 79 4.560 -6.405 3.270 1.00 0.00 N ATOM 1127 CA VAL A 79 3.205 -6.923 3.180 1.00 0.00 C ATOM 1128 C VAL A 79 2.321 -6.209 4.204 1.00 0.00 C ATOM 1129 O VAL A 79 2.795 -5.806 5.265 1.00 0.00 O ATOM 1130 CB VAL A 79 3.213 -8.443 3.354 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.740 -8.833 4.737 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.822 -9.031 3.111 1.00 0.00 C ATOM 0 H VAL A 79 4.829 -6.072 4.196 1.00 0.00 H new ATOM 0 HA VAL A 79 2.785 -6.724 2.194 1.00 0.00 H new ATOM 0 HB VAL A 79 3.888 -8.862 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.735 -9.919 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.758 -8.462 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.102 -8.396 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.856 -10.113 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.116 -8.602 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.501 -8.798 2.096 1.00 0.00 H new ATOM 1142 N TYR A 80 1.051 -6.073 3.849 1.00 0.00 N ATOM 1143 CA TYR A 80 0.096 -5.414 4.724 1.00 0.00 C ATOM 1144 C TYR A 80 -1.291 -6.045 4.595 1.00 0.00 C ATOM 1145 O TYR A 80 -1.875 -6.055 3.512 1.00 0.00 O ATOM 1146 CB TYR A 80 0.028 -3.960 4.254 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.475 -2.984 5.320 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.682 -3.212 5.949 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.277 -1.876 5.652 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.156 -2.294 6.953 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -0.196 -0.959 6.655 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.390 -1.213 7.256 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.837 -0.346 8.204 1.00 0.00 O ATOM 0 H TYR A 80 0.662 -6.408 2.968 1.00 0.00 H new ATOM 0 HA TYR A 80 0.404 -5.503 5.766 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.020 -3.647 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.626 -3.900 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.271 -4.079 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.221 -1.697 5.159 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.098 -2.461 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.384 -0.089 6.925 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.187 0.378 8.318 1.00 0.00 H new ATOM 1163 N THR A 81 -1.780 -6.556 5.716 1.00 0.00 N ATOM 1164 CA THR A 81 -3.088 -7.188 5.742 1.00 0.00 C ATOM 1165 C THR A 81 -4.176 -6.149 6.022 1.00 0.00 C ATOM 1166 O THR A 81 -4.461 -5.840 7.178 1.00 0.00 O ATOM 1167 CB THR A 81 -3.047 -8.318 6.772 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.252 -9.325 6.152 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.411 -8.986 6.964 1.00 0.00 C ATOM 0 H THR A 81 -1.294 -6.545 6.613 1.00 0.00 H new ATOM 0 HA THR A 81 -3.338 -7.621 4.773 1.00 0.00 H new ATOM 0 HB THR A 81 -2.697 -7.925 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.172 -10.095 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.326 -9.781 7.705 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.134 -8.246 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.746 -9.408 6.017 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.755 -5.640 4.945 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.805 -4.642 5.060 1.00 0.00 C ATOM 1179 C LEU A 82 -7.068 -5.300 5.620 1.00 0.00 C ATOM 1180 O LEU A 82 -7.742 -6.054 4.919 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.022 -3.935 3.721 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.828 -3.148 3.177 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.993 -2.864 1.683 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.604 -1.866 3.982 1.00 0.00 C ATOM 0 H LEU A 82 -4.517 -5.900 3.988 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.513 -3.861 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.307 -4.682 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.865 -3.252 3.826 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.934 -3.761 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.131 -2.304 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.067 -3.806 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.899 -2.280 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.750 -1.325 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.493 -1.238 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.410 -2.120 5.024 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.350 -4.991 6.877 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.520 -5.543 7.538 1.00 0.00 C ATOM 1198 C ASP A 83 -9.669 -4.536 7.457 1.00 0.00 C ATOM 1199 O ASP A 83 -9.540 -3.491 6.821 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.238 -5.820 9.016 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.235 -4.869 9.672 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -7.278 -3.669 9.322 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.448 -5.362 10.508 1.00 0.00 O ATOM 0 H ASP A 83 -6.789 -4.366 7.455 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.780 -6.477 7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.178 -5.768 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.867 -6.840 9.115 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.768 -4.887 8.109 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.939 -4.027 8.118 1.00 0.00 C ATOM 1210 C ASN A 84 -12.445 -3.846 6.686 1.00 0.00 C ATOM 1211 O ASN A 84 -12.478 -2.730 6.171 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.602 -2.643 8.678 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.635 -2.648 10.208 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.586 -3.088 10.833 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.547 -2.135 10.774 1.00 0.00 N ATOM 0 H ASN A 84 -10.872 -5.755 8.635 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.696 -4.496 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.614 -2.338 8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.313 -1.910 8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.473 -2.093 11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.787 -1.784 10.192 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.828 -4.962 6.082 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.331 -4.941 4.719 1.00 0.00 C ATOM 1224 C LEU A 85 -14.741 -5.536 4.692 1.00 0.00 C ATOM 1225 O LEU A 85 -15.285 -5.900 5.733 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.350 -5.640 3.776 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.871 -5.306 3.978 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.991 -6.110 3.020 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.627 -3.800 3.853 1.00 0.00 C ATOM 0 H LEU A 85 -12.800 -5.887 6.512 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.410 -3.916 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.477 -6.717 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.622 -5.389 2.751 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.591 -5.595 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.945 -5.853 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.136 -7.175 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.264 -5.875 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.568 -3.590 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.929 -3.464 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.210 -3.273 4.608 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.291 -5.616 3.489 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.626 -6.161 3.312 1.00 0.00 C ATOM 1243 C LYS A 86 -16.526 -7.654 2.994 1.00 0.00 C ATOM 1244 O LYS A 86 -15.464 -8.140 2.608 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.397 -5.359 2.261 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.693 -4.793 2.845 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.840 -5.796 2.704 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.099 -5.116 2.162 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.174 -6.111 1.946 1.00 0.00 N ATOM 0 H LYS A 86 -14.836 -5.313 2.628 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.200 -6.069 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.774 -4.544 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.627 -5.997 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.546 -4.548 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.951 -3.865 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.542 -6.603 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.054 -6.247 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.437 -4.353 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.871 -4.609 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -23.021 -5.633 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.854 -6.824 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.403 -6.576 2.848 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.646 -8.340 3.167 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.697 -9.768 2.903 1.00 0.00 C ATOM 1265 C LYS A 87 -17.924 -9.998 1.408 1.00 0.00 C ATOM 1266 O LYS A 87 -18.823 -9.404 0.814 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.744 -10.440 3.795 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.279 -10.480 5.252 1.00 0.00 C ATOM 1269 CD LYS A 87 -17.677 -11.844 5.598 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.422 -12.492 6.766 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.153 -13.695 6.311 1.00 0.00 N ATOM 0 H LYS A 87 -18.525 -7.934 3.487 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.746 -10.237 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.688 -9.899 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.931 -11.454 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.539 -9.698 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -19.121 -10.272 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.722 -12.497 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.624 -11.726 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.715 -12.764 7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.121 -11.777 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.653 -14.123 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.841 -13.427 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.479 -14.383 5.917 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.094 -10.862 0.842 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.192 -11.178 -0.573 1.00 0.00 C ATOM 1287 C PHE A 88 -17.540 -9.932 -1.390 1.00 0.00 C ATOM 1288 O PHE A 88 -18.661 -9.797 -1.877 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.318 -12.203 -0.724 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.381 -12.858 -2.106 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.236 -13.257 -2.721 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.581 -13.041 -2.718 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.294 -13.866 -4.003 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -19.640 -13.649 -3.999 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.495 -14.049 -4.615 1.00 0.00 C ATOM 0 H PHE A 88 -16.350 -11.353 1.338 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.239 -11.563 -0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.192 -12.980 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.271 -11.714 -0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.283 -13.111 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.490 -12.723 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.385 -14.184 -4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.594 -13.794 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.539 -14.512 -5.590 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.557 -9.052 -1.514 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.745 -7.821 -2.264 1.00 0.00 C ATOM 1307 C ALA A 89 -15.430 -7.441 -2.949 1.00 0.00 C ATOM 1308 O ALA A 89 -14.353 -7.656 -2.395 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.252 -6.724 -1.326 1.00 0.00 C ATOM 0 H ALA A 89 -15.628 -9.167 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.496 -7.956 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.393 -5.801 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.202 -7.030 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.523 -6.558 -0.533 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.562 -6.882 -4.143 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.399 -6.470 -4.909 1.00 0.00 C ATOM 1317 C GLN A 90 -13.803 -5.189 -4.322 1.00 0.00 C ATOM 1318 O GLN A 90 -14.515 -4.208 -4.113 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.753 -6.284 -6.386 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.556 -5.746 -7.173 1.00 0.00 C ATOM 1321 CD GLN A 90 -13.638 -6.156 -8.645 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -13.843 -7.310 -8.984 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -13.469 -5.149 -9.497 1.00 0.00 N ATOM 0 H GLN A 90 -16.457 -6.705 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.649 -7.258 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.073 -7.236 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.593 -5.595 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.524 -4.659 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.631 -6.124 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.301 -4.206 -9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.508 -5.319 -10.502 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.503 -5.239 -4.072 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.804 -4.095 -3.513 1.00 0.00 C ATOM 1334 C TYR A 91 -10.563 -3.753 -4.340 1.00 0.00 C ATOM 1335 O TYR A 91 -9.805 -4.641 -4.725 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.365 -4.514 -2.108 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.333 -4.088 -1.001 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -13.430 -4.871 -0.705 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -12.108 -2.921 -0.299 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -14.340 -4.470 0.336 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -13.018 -2.521 0.742 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.089 -3.315 1.008 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.949 -2.937 1.992 1.00 0.00 O ATOM 0 H TYR A 91 -11.915 -6.054 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.450 -3.217 -3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.253 -5.598 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.383 -4.087 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.606 -5.784 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.249 -2.308 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -15.203 -5.073 0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.854 -1.611 1.299 1.00 0.00 H new ATOM 0 HH TYR A 91 -14.644 -2.093 2.386 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.395 -2.462 -4.590 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.260 -1.991 -5.364 1.00 0.00 C ATOM 1355 C GLY A 92 -8.335 -1.122 -4.510 1.00 0.00 C ATOM 1356 O GLY A 92 -8.715 -0.030 -4.091 1.00 0.00 O ATOM 0 H GLY A 92 -11.027 -1.728 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.704 -2.843 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.613 -1.418 -6.222 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.138 -1.641 -4.275 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.156 -0.926 -3.478 1.00 0.00 C ATOM 1362 C VAL A 93 -4.948 -0.584 -4.352 1.00 0.00 C ATOM 1363 O VAL A 93 -4.737 -1.201 -5.395 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.787 -1.748 -2.242 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.977 -2.582 -1.762 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.571 -2.635 -2.517 1.00 0.00 C ATOM 0 H VAL A 93 -6.827 -2.548 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.570 0.014 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.522 -1.054 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.687 -3.157 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.805 -1.921 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.287 -3.263 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.329 -3.209 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.796 -3.318 -3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.720 -2.011 -2.789 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.185 0.399 -3.893 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.004 0.830 -4.620 1.00 0.00 C ATOM 1378 C VAL A 94 -1.845 1.014 -3.638 1.00 0.00 C ATOM 1379 O VAL A 94 -1.990 1.691 -2.621 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.315 2.096 -5.421 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -3.993 1.752 -6.749 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.170 3.066 -4.604 1.00 0.00 C ATOM 0 H VAL A 94 -4.363 0.908 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.702 0.071 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.370 2.591 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.203 2.670 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.333 1.118 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.926 1.224 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.376 3.957 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.110 2.584 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.634 3.349 -3.698 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.721 0.399 -3.976 1.00 0.00 N ATOM 1393 CA VAL A 95 0.461 0.486 -3.136 1.00 0.00 C ATOM 1394 C VAL A 95 1.437 1.498 -3.740 1.00 0.00 C ATOM 1395 O VAL A 95 1.502 1.652 -4.959 1.00 0.00 O ATOM 1396 CB VAL A 95 1.077 -0.903 -2.954 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.109 -0.901 -1.824 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.006 -1.955 -2.706 1.00 0.00 C ATOM 0 H VAL A 95 -0.604 -0.161 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 95 0.197 0.843 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 95 1.592 -1.165 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.532 -1.900 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.905 -0.194 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.627 -0.608 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.459 -2.933 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.562 -1.699 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.687 -1.984 -3.557 1.00 0.00 H new ATOM 1408 N GLN A 96 2.172 2.162 -2.860 1.00 0.00 N ATOM 1409 CA GLN A 96 3.141 3.155 -3.291 1.00 0.00 C ATOM 1410 C GLN A 96 4.266 3.280 -2.263 1.00 0.00 C ATOM 1411 O GLN A 96 4.034 3.141 -1.063 1.00 0.00 O ATOM 1412 CB GLN A 96 2.468 4.507 -3.536 1.00 0.00 C ATOM 1413 CG GLN A 96 1.316 4.732 -2.554 1.00 0.00 C ATOM 1414 CD GLN A 96 0.514 5.980 -2.927 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.705 5.976 -2.970 1.00 0.00 O ATOM 1416 NE2 GLN A 96 1.264 7.046 -3.194 1.00 0.00 N ATOM 0 H GLN A 96 2.116 2.032 -1.850 1.00 0.00 H new ATOM 0 HA GLN A 96 3.574 2.826 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.201 5.307 -3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.093 4.551 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.660 3.861 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.710 4.837 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.280 6.981 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.823 7.928 -3.453 1.00 0.00 H new ATOM 1425 N ALA A 97 5.462 3.541 -2.770 1.00 0.00 N ATOM 1426 CA ALA A 97 6.624 3.687 -1.910 1.00 0.00 C ATOM 1427 C ALA A 97 6.792 5.159 -1.531 1.00 0.00 C ATOM 1428 O ALA A 97 6.936 6.016 -2.402 1.00 0.00 O ATOM 1429 CB ALA A 97 7.858 3.123 -2.619 1.00 0.00 C ATOM 0 H ALA A 97 5.651 3.655 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 97 6.491 3.123 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.730 3.232 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.700 2.067 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.024 3.667 -3.549 1.00 0.00 H new ATOM 1435 N PHE A 98 6.767 5.409 -0.230 1.00 0.00 N ATOM 1436 CA PHE A 98 6.915 6.764 0.275 1.00 0.00 C ATOM 1437 C PHE A 98 8.172 6.893 1.137 1.00 0.00 C ATOM 1438 O PHE A 98 8.434 6.047 1.991 1.00 0.00 O ATOM 1439 CB PHE A 98 5.686 7.056 1.138 1.00 0.00 C ATOM 1440 CG PHE A 98 5.815 6.578 2.586 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.685 7.195 3.430 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.059 5.538 3.029 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.804 6.752 4.774 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.179 5.095 4.373 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.049 5.712 5.217 1.00 0.00 C ATOM 0 H PHE A 98 6.646 4.696 0.490 1.00 0.00 H new ATOM 0 HA PHE A 98 7.004 7.464 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.500 8.130 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.816 6.581 0.685 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.285 8.021 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.367 5.049 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.495 7.242 5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.580 4.268 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.140 5.376 6.239 1.00 0.00 H new ATOM 1455 N ASN A 99 8.916 7.960 0.886 1.00 0.00 N ATOM 1456 CA ASN A 99 10.139 8.211 1.629 1.00 0.00 C ATOM 1457 C ASN A 99 10.070 9.603 2.261 1.00 0.00 C ATOM 1458 O ASN A 99 9.093 10.326 2.072 1.00 0.00 O ATOM 1459 CB ASN A 99 11.361 8.170 0.709 1.00 0.00 C ATOM 1460 CG ASN A 99 11.118 7.244 -0.485 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.362 6.289 -0.418 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.799 7.579 -1.577 1.00 0.00 N ATOM 0 H ASN A 99 8.695 8.661 0.178 1.00 0.00 H new ATOM 0 HA ASN A 99 10.235 7.438 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.587 9.175 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.231 7.827 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.705 7.023 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.415 8.392 -1.564 1.00 0.00 H new ATOM 1469 N ARG A 100 11.120 9.937 2.997 1.00 0.00 N ATOM 1470 CA ARG A 100 11.190 11.229 3.658 1.00 0.00 C ATOM 1471 C ARG A 100 11.315 12.348 2.623 1.00 0.00 C ATOM 1472 O ARG A 100 10.952 13.492 2.893 1.00 0.00 O ATOM 1473 CB ARG A 100 12.382 11.294 4.615 1.00 0.00 C ATOM 1474 CG ARG A 100 11.940 11.043 6.058 1.00 0.00 C ATOM 1475 CD ARG A 100 11.478 12.341 6.724 1.00 0.00 C ATOM 1476 NE ARG A 100 10.616 12.034 7.887 1.00 0.00 N ATOM 1477 CZ ARG A 100 9.308 11.756 7.800 1.00 0.00 C ATOM 1478 NH1 ARG A 100 8.704 11.743 6.604 1.00 0.00 N ATOM 1479 NH2 ARG A 100 8.604 11.489 8.908 1.00 0.00 N ATOM 0 H ARG A 100 11.929 9.335 3.150 1.00 0.00 H new ATOM 0 HA ARG A 100 10.271 11.359 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.127 10.553 4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.859 12.271 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.129 10.314 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.765 10.613 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.342 12.922 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.931 12.953 6.007 1.00 0.00 H new ATOM 0 HE ARG A 100 11.044 12.034 8.813 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.240 11.945 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.708 11.531 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.064 11.497 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.608 11.277 8.841 1.00 0.00 H new ATOM 1493 N ALA A 101 11.829 11.980 1.458 1.00 0.00 N ATOM 1494 CA ALA A 101 12.006 12.939 0.381 1.00 0.00 C ATOM 1495 C ALA A 101 10.647 13.250 -0.247 1.00 0.00 C ATOM 1496 O ALA A 101 10.453 14.323 -0.817 1.00 0.00 O ATOM 1497 CB ALA A 101 13.006 12.385 -0.636 1.00 0.00 C ATOM 0 H ALA A 101 12.129 11.030 1.237 1.00 0.00 H new ATOM 0 HA ALA A 101 12.414 13.875 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.139 13.104 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.963 12.209 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.629 11.447 -1.043 1.00 0.00 H new ATOM 1503 N GLY A 102 9.739 12.292 -0.122 1.00 0.00 N ATOM 1504 CA GLY A 102 8.403 12.451 -0.671 1.00 0.00 C ATOM 1505 C GLY A 102 7.805 11.097 -1.057 1.00 0.00 C ATOM 1506 O GLY A 102 8.399 10.053 -0.791 1.00 0.00 O ATOM 0 H GLY A 102 9.903 11.403 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.761 12.941 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.440 13.099 -1.547 1.00 0.00 H new ATOM 1510 N THR A 103 6.636 11.158 -1.679 1.00 0.00 N ATOM 1511 CA THR A 103 5.951 9.949 -2.104 1.00 0.00 C ATOM 1512 C THR A 103 6.011 9.810 -3.627 1.00 0.00 C ATOM 1513 O THR A 103 6.018 10.808 -4.345 1.00 0.00 O ATOM 1514 CB THR A 103 4.524 9.996 -1.554 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.687 10.413 -0.201 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.893 8.607 -1.443 1.00 0.00 C ATOM 0 H THR A 103 6.146 12.025 -1.899 1.00 0.00 H new ATOM 0 HA THR A 103 6.438 9.058 -1.708 1.00 0.00 H new ATOM 0 HB THR A 103 3.908 10.624 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.809 10.472 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.881 8.698 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.857 8.144 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.490 7.989 -0.773 1.00 0.00 H new ATOM 1524 N GLY A 104 6.053 8.563 -4.074 1.00 0.00 N ATOM 1525 CA GLY A 104 6.112 8.281 -5.498 1.00 0.00 C ATOM 1526 C GLY A 104 4.726 7.939 -6.047 1.00 0.00 C ATOM 1527 O GLY A 104 3.722 8.107 -5.357 1.00 0.00 O ATOM 0 H GLY A 104 6.047 7.737 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.514 9.145 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.794 7.451 -5.680 1.00 0.00 H new ATOM 1531 N PRO A 105 4.715 7.452 -7.317 1.00 0.00 N ATOM 1532 CA PRO A 105 3.468 7.084 -7.966 1.00 0.00 C ATOM 1533 C PRO A 105 2.933 5.760 -7.417 1.00 0.00 C ATOM 1534 O PRO A 105 3.651 5.031 -6.735 1.00 0.00 O ATOM 1535 CB PRO A 105 3.801 7.021 -9.448 1.00 0.00 C ATOM 1536 CG PRO A 105 5.314 6.899 -9.531 1.00 0.00 C ATOM 1537 CD PRO A 105 5.884 7.239 -8.164 1.00 0.00 C ATOM 0 HA PRO A 105 2.669 7.802 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.314 6.169 -9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.452 7.915 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.600 5.889 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.711 7.575 -10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.507 6.430 -7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.510 8.130 -8.207 1.00 0.00 H new ATOM 1545 N SER A 106 1.675 5.490 -7.735 1.00 0.00 N ATOM 1546 CA SER A 106 1.036 4.267 -7.282 1.00 0.00 C ATOM 1547 C SER A 106 1.108 3.201 -8.378 1.00 0.00 C ATOM 1548 O SER A 106 1.456 3.502 -9.518 1.00 0.00 O ATOM 1549 CB SER A 106 -0.420 4.521 -6.884 1.00 0.00 C ATOM 1550 OG SER A 106 -1.103 5.323 -7.843 1.00 0.00 O ATOM 0 H SER A 106 1.082 6.097 -8.301 1.00 0.00 H new ATOM 0 HA SER A 106 1.569 3.909 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.937 3.568 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.450 5.014 -5.912 1.00 0.00 H new ATOM 0 HG SER A 106 -2.029 5.461 -7.554 1.00 0.00 H new ATOM 1556 N SER A 107 0.772 1.979 -7.993 1.00 0.00 N ATOM 1557 CA SER A 107 0.795 0.867 -8.929 1.00 0.00 C ATOM 1558 C SER A 107 -0.613 0.613 -9.472 1.00 0.00 C ATOM 1559 O SER A 107 -1.597 1.074 -8.897 1.00 0.00 O ATOM 1560 CB SER A 107 1.345 -0.398 -8.268 1.00 0.00 C ATOM 1561 OG SER A 107 0.397 -0.997 -7.389 1.00 0.00 O ATOM 0 H SER A 107 0.482 1.734 -7.046 1.00 0.00 H new ATOM 0 HA SER A 107 1.456 1.128 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.629 -1.115 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.250 -0.152 -7.712 1.00 0.00 H new ATOM 0 HG SER A 107 -0.240 -1.530 -7.909 1.00 0.00 H new ATOM 1567 N SER A 108 -0.663 -0.122 -10.574 1.00 0.00 N ATOM 1568 CA SER A 108 -1.933 -0.443 -11.202 1.00 0.00 C ATOM 1569 C SER A 108 -2.900 -1.017 -10.164 1.00 0.00 C ATOM 1570 O SER A 108 -2.624 -2.052 -9.559 1.00 0.00 O ATOM 1571 CB SER A 108 -1.744 -1.432 -12.354 1.00 0.00 C ATOM 1572 OG SER A 108 -0.375 -1.787 -12.533 1.00 0.00 O ATOM 0 H SER A 108 0.156 -0.504 -11.048 1.00 0.00 H new ATOM 0 HA SER A 108 -2.353 0.475 -11.612 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.329 -2.331 -12.160 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.128 -0.994 -13.275 1.00 0.00 H new ATOM 0 HG SER A 108 -0.296 -2.421 -13.276 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.012 -0.319 -9.989 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.021 -0.745 -9.034 1.00 0.00 C ATOM 1580 C GLU A 109 -5.650 -2.067 -9.481 1.00 0.00 C ATOM 1581 O GLU A 109 -6.346 -2.116 -10.494 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.089 0.334 -8.845 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.142 -0.109 -7.828 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.543 0.326 -8.265 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.760 0.388 -9.494 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.364 0.587 -7.359 1.00 0.00 O ATOM 0 H GLU A 109 -4.237 0.539 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.537 -0.902 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.621 1.259 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.568 0.548 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.112 -1.193 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.912 0.318 -6.852 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.381 -3.106 -8.704 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.912 -4.424 -9.007 1.00 0.00 C ATOM 1595 C ILE A 110 -7.269 -4.593 -8.321 1.00 0.00 C ATOM 1596 O ILE A 110 -7.884 -3.612 -7.903 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.897 -5.508 -8.638 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.493 -4.918 -8.494 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -4.935 -6.660 -9.644 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -3.216 -4.510 -7.046 1.00 0.00 C ATOM 0 H ILE A 110 -4.802 -3.062 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.081 -4.529 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.174 -5.919 -7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.752 -5.649 -8.818 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.390 -4.051 -9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.204 -7.417 -9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.931 -7.103 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.697 -6.283 -10.638 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.211 -4.094 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.944 -3.761 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.295 -5.384 -6.400 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.696 -5.843 -8.225 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.969 -6.153 -7.596 1.00 0.00 C ATOM 1614 C ASN A 111 -8.916 -7.568 -7.017 1.00 0.00 C ATOM 1615 O ASN A 111 -8.414 -8.488 -7.661 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.112 -6.101 -8.612 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.798 -6.964 -9.836 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -8.821 -6.760 -10.537 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.679 -7.936 -10.053 1.00 0.00 N ATOM 0 H ASN A 111 -7.183 -6.654 -8.572 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.147 -5.415 -6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.034 -6.447 -8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.280 -5.070 -8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.558 -8.566 -10.846 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.476 -8.051 -9.427 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.442 -7.698 -5.808 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.460 -8.985 -5.134 1.00 0.00 C ATOM 1628 C ALA A 112 -10.726 -9.092 -4.281 1.00 0.00 C ATOM 1629 O ALA A 112 -10.789 -8.535 -3.186 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.184 -9.147 -4.307 1.00 0.00 C ATOM 0 H ALA A 112 -9.859 -6.933 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.482 -9.798 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.198 -10.113 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.316 -9.094 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.127 -8.350 -3.565 1.00 0.00 H new ATOM 1636 N THR A 113 -11.703 -9.810 -4.815 1.00 0.00 N ATOM 1637 CA THR A 113 -12.963 -9.996 -4.116 1.00 0.00 C ATOM 1638 C THR A 113 -12.767 -10.894 -2.894 1.00 0.00 C ATOM 1639 O THR A 113 -12.319 -12.033 -3.021 1.00 0.00 O ATOM 1640 CB THR A 113 -13.982 -10.545 -5.117 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.313 -9.421 -5.928 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.306 -10.930 -4.453 1.00 0.00 C ATOM 0 H THR A 113 -11.647 -10.270 -5.724 1.00 0.00 H new ATOM 0 HA THR A 113 -13.344 -9.051 -3.728 1.00 0.00 H new ATOM 0 HB THR A 113 -13.563 -11.416 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.968 -9.688 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 113 -15.993 -11.313 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.126 -11.699 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.743 -10.052 -3.977 1.00 0.00 H new ATOM 1650 N THR A 114 -13.112 -10.348 -1.737 1.00 0.00 N ATOM 1651 CA THR A 114 -12.979 -11.086 -0.492 1.00 0.00 C ATOM 1652 C THR A 114 -13.676 -12.444 -0.600 1.00 0.00 C ATOM 1653 O THR A 114 -14.157 -12.815 -1.670 1.00 0.00 O ATOM 1654 CB THR A 114 -13.527 -10.210 0.637 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.777 -9.743 0.139 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.706 -8.935 0.839 1.00 0.00 C ATOM 0 H THR A 114 -13.483 -9.403 -1.635 1.00 0.00 H new ATOM 0 HA THR A 114 -11.935 -11.308 -0.273 1.00 0.00 H new ATOM 0 HB THR A 114 -13.544 -10.782 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.197 -9.159 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.137 -8.350 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.678 -9.200 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.717 -8.346 -0.078 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.709 -13.147 0.522 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.338 -14.456 0.567 1.00 0.00 C ATOM 1666 C LEU A 115 -15.780 -14.307 1.058 1.00 0.00 C ATOM 1667 O LEU A 115 -16.124 -13.308 1.688 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.501 -15.426 1.403 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.999 -15.440 1.109 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.296 -16.543 1.902 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.735 -15.556 -0.393 1.00 0.00 C ATOM 0 H LEU A 115 -13.310 -12.835 1.407 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.383 -14.891 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.643 -15.183 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.890 -16.433 1.253 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.578 -14.490 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.230 -16.531 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.442 -16.373 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.715 -17.511 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.660 -15.564 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.173 -16.481 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.184 -14.706 -0.908 1.00 0.00 H new ATOM 1683 N GLU A 116 -16.583 -15.315 0.752 1.00 0.00 N ATOM 1684 CA GLU A 116 -17.979 -15.309 1.155 1.00 0.00 C ATOM 1685 C GLU A 116 -18.214 -16.329 2.271 1.00 0.00 C ATOM 1686 O GLU A 116 -19.323 -16.439 2.792 1.00 0.00 O ATOM 1687 CB GLU A 116 -18.895 -15.582 -0.039 1.00 0.00 C ATOM 1688 CG GLU A 116 -18.191 -16.450 -1.084 1.00 0.00 C ATOM 1689 CD GLU A 116 -19.197 -17.047 -2.070 1.00 0.00 C ATOM 1690 OE1 GLU A 116 -19.869 -16.242 -2.751 1.00 0.00 O ATOM 1691 OE2 GLU A 116 -19.272 -18.293 -2.121 1.00 0.00 O ATOM 0 H GLU A 116 -16.294 -16.142 0.229 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.222 -14.318 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.803 -16.081 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.200 -14.638 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.458 -15.851 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.644 -17.251 -0.587 1.00 0.00 H new ATOM 1698 N SER A 117 -17.153 -17.048 2.605 1.00 0.00 N ATOM 1699 CA SER A 117 -17.230 -18.055 3.649 1.00 0.00 C ATOM 1700 C SER A 117 -15.823 -18.436 4.114 1.00 0.00 C ATOM 1701 O SER A 117 -14.935 -18.665 3.293 1.00 0.00 O ATOM 1702 CB SER A 117 -17.983 -19.295 3.164 1.00 0.00 C ATOM 1703 OG SER A 117 -18.599 -20.000 4.239 1.00 0.00 O ATOM 0 H SER A 117 -16.235 -16.953 2.171 1.00 0.00 H new ATOM 0 HA SER A 117 -17.782 -17.634 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.744 -18.998 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.292 -19.959 2.644 1.00 0.00 H new ATOM 0 HG SER A 117 -19.071 -20.784 3.888 1.00 0.00 H new ATOM 1709 N GLY A 118 -15.662 -18.492 5.428 1.00 0.00 N ATOM 1710 CA GLY A 118 -14.378 -18.841 6.011 1.00 0.00 C ATOM 1711 C GLY A 118 -13.791 -20.083 5.339 1.00 0.00 C ATOM 1712 O GLY A 118 -14.522 -21.009 4.989 1.00 0.00 O ATOM 0 H GLY A 118 -16.400 -18.301 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.687 -18.005 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -14.497 -19.023 7.079 1.00 0.00 H new ATOM 1716 N PRO A 119 -12.441 -20.064 5.175 1.00 0.00 N ATOM 1717 CA PRO A 119 -11.746 -21.178 4.552 1.00 0.00 C ATOM 1718 C PRO A 119 -11.648 -22.368 5.508 1.00 0.00 C ATOM 1719 O PRO A 119 -12.014 -23.487 5.153 1.00 0.00 O ATOM 1720 CB PRO A 119 -10.389 -20.622 4.153 1.00 0.00 C ATOM 1721 CG PRO A 119 -10.197 -19.360 4.978 1.00 0.00 C ATOM 1722 CD PRO A 119 -11.543 -18.986 5.578 1.00 0.00 C ATOM 0 HA PRO A 119 -12.273 -21.568 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.597 -21.344 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -10.356 -20.400 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.461 -19.527 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -9.819 -18.550 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -11.484 -18.905 6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.889 -18.022 5.205 1.00 0.00 H new ATOM 1730 N SER A 120 -11.151 -22.085 6.704 1.00 0.00 N ATOM 1731 CA SER A 120 -10.999 -23.118 7.714 1.00 0.00 C ATOM 1732 C SER A 120 -12.272 -23.964 7.793 1.00 0.00 C ATOM 1733 O SER A 120 -13.378 -23.441 7.668 1.00 0.00 O ATOM 1734 CB SER A 120 -10.682 -22.508 9.082 1.00 0.00 C ATOM 1735 OG SER A 120 -9.322 -22.095 9.179 1.00 0.00 O ATOM 0 H SER A 120 -10.849 -21.155 6.995 1.00 0.00 H new ATOM 0 HA SER A 120 -10.163 -23.756 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.334 -21.653 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.896 -23.238 9.863 1.00 0.00 H new ATOM 0 HG SER A 120 -9.160 -21.710 10.065 1.00 0.00 H new ATOM 1741 N SER A 121 -12.072 -25.257 7.999 1.00 0.00 N ATOM 1742 CA SER A 121 -13.190 -26.181 8.095 1.00 0.00 C ATOM 1743 C SER A 121 -12.707 -27.534 8.622 1.00 0.00 C ATOM 1744 O SER A 121 -11.802 -28.139 8.050 1.00 0.00 O ATOM 1745 CB SER A 121 -13.880 -26.354 6.741 1.00 0.00 C ATOM 1746 OG SER A 121 -15.187 -26.906 6.874 1.00 0.00 O ATOM 0 H SER A 121 -11.153 -25.687 8.102 1.00 0.00 H new ATOM 0 HA SER A 121 -13.918 -25.766 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 121 -13.944 -25.388 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 121 -13.276 -27.002 6.106 1.00 0.00 H new ATOM 0 HG SER A 121 -15.595 -26.999 5.988 1.00 0.00 H new ATOM 1752 N GLY A 122 -13.332 -27.968 9.706 1.00 0.00 N ATOM 1753 CA GLY A 122 -12.977 -29.238 10.316 1.00 0.00 C ATOM 1754 C GLY A 122 -11.495 -29.271 10.693 1.00 0.00 C ATOM 1755 O GLY A 122 -10.981 -30.304 11.117 1.00 0.00 O ATOM 0 H GLY A 122 -14.082 -27.463 10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -13.586 -29.401 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -13.198 -30.052 9.625 1.00 0.00 H new TER 1759 GLY A 122