USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 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 89 HIS : no HE2:sc= -2.37! C(o=-2.9!,f=-9.6!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.492 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 12:sc= 0.438 USER MOD Single : A 20 GLN : amide:sc= -0.646 K(o=-0.65,f=-5!) USER MOD Single : A 22 SER OG : rot -48:sc= 0.218 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0627) USER MOD Single : A 27 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.98) USER MOD Single : A 28 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.47) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.312) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.141) USER MOD Single : A 48 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-1.9) USER MOD Single : A 49 SER OG : rot -87:sc= 1.03 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.656 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -139:sc= 1.3 USER MOD Single : A 74 HIS :FLIP no HE2:sc= -2.02 F(o=-4.3!,f=-2) USER MOD Single : A 76 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 79 HIS : no HE2:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.19 F(o=-1,f=-0.19) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.215 27.721 -1.399 1.00 0.00 N ATOM 2 CA GLY A 1 9.965 26.996 -1.542 1.00 0.00 C ATOM 3 C GLY A 1 9.155 26.980 -0.261 1.00 0.00 C ATOM 4 O GLY A 1 9.693 26.732 0.819 1.00 0.00 O ATOM 0 H1 GLY A 1 11.732 27.703 -2.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.016 28.707 -1.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.793 27.273 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.374 27.451 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.176 25.971 -1.848 1.00 0.00 H new ATOM 8 N SER A 2 7.859 27.248 -0.379 1.00 0.00 N ATOM 9 CA SER A 2 6.974 27.269 0.780 1.00 0.00 C ATOM 10 C SER A 2 6.079 26.033 0.803 1.00 0.00 C ATOM 11 O SER A 2 5.233 25.849 -0.073 1.00 0.00 O ATOM 12 CB SER A 2 6.114 28.534 0.769 1.00 0.00 C ATOM 13 OG SER A 2 6.921 29.699 0.742 1.00 0.00 O ATOM 0 H SER A 2 7.398 27.454 -1.265 1.00 0.00 H new ATOM 0 HA SER A 2 7.592 27.266 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.456 28.523 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.475 28.551 1.652 1.00 0.00 H new ATOM 0 HG SER A 2 6.348 30.494 0.734 1.00 0.00 H new ATOM 19 N SER A 3 6.273 25.188 1.810 1.00 0.00 N ATOM 20 CA SER A 3 5.487 23.967 1.946 1.00 0.00 C ATOM 21 C SER A 3 4.064 24.285 2.394 1.00 0.00 C ATOM 22 O SER A 3 3.737 24.192 3.576 1.00 0.00 O ATOM 23 CB SER A 3 6.149 23.019 2.948 1.00 0.00 C ATOM 24 OG SER A 3 7.370 22.511 2.439 1.00 0.00 O ATOM 0 H SER A 3 6.968 25.326 2.544 1.00 0.00 H new ATOM 0 HA SER A 3 5.443 23.481 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.333 23.545 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.474 22.194 3.173 1.00 0.00 H new ATOM 0 HG SER A 3 7.774 21.909 3.099 1.00 0.00 H new ATOM 30 N GLY A 4 3.219 24.660 1.437 1.00 0.00 N ATOM 31 CA GLY A 4 1.840 24.986 1.751 1.00 0.00 C ATOM 32 C GLY A 4 0.858 24.323 0.806 1.00 0.00 C ATOM 33 O GLY A 4 1.125 23.242 0.281 1.00 0.00 O ATOM 0 H GLY A 4 3.465 24.744 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.621 24.677 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.707 26.067 1.709 1.00 0.00 H new ATOM 37 N SER A 5 -0.281 24.972 0.588 1.00 0.00 N ATOM 38 CA SER A 5 -1.309 24.436 -0.296 1.00 0.00 C ATOM 39 C SER A 5 -2.327 25.512 -0.661 1.00 0.00 C ATOM 40 O SER A 5 -2.506 26.486 0.070 1.00 0.00 O ATOM 41 CB SER A 5 -2.017 23.253 0.368 1.00 0.00 C ATOM 42 OG SER A 5 -2.961 23.697 1.327 1.00 0.00 O ATOM 0 H SER A 5 -0.515 25.870 1.011 1.00 0.00 H new ATOM 0 HA SER A 5 -0.824 24.094 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.519 22.653 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.281 22.608 0.849 1.00 0.00 H new ATOM 0 HG SER A 5 -3.401 22.923 1.736 1.00 0.00 H new ATOM 48 N SER A 6 -2.990 25.329 -1.798 1.00 0.00 N ATOM 49 CA SER A 6 -3.987 26.285 -2.264 1.00 0.00 C ATOM 50 C SER A 6 -5.317 25.591 -2.543 1.00 0.00 C ATOM 51 O SER A 6 -5.351 24.442 -2.980 1.00 0.00 O ATOM 52 CB SER A 6 -3.494 26.994 -3.527 1.00 0.00 C ATOM 53 OG SER A 6 -4.364 28.052 -3.891 1.00 0.00 O ATOM 0 H SER A 6 -2.855 24.527 -2.414 1.00 0.00 H new ATOM 0 HA SER A 6 -4.141 27.024 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.491 27.385 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.425 26.278 -4.346 1.00 0.00 H new ATOM 0 HG SER A 6 -4.026 28.490 -4.700 1.00 0.00 H new ATOM 59 N GLY A 7 -6.413 26.300 -2.287 1.00 0.00 N ATOM 60 CA GLY A 7 -7.731 25.737 -2.516 1.00 0.00 C ATOM 61 C GLY A 7 -7.956 24.454 -1.740 1.00 0.00 C ATOM 62 O GLY A 7 -7.770 24.415 -0.524 1.00 0.00 O ATOM 0 H GLY A 7 -6.411 27.254 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.489 26.467 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.859 25.541 -3.581 1.00 0.00 H new ATOM 66 N SER A 8 -8.359 23.402 -2.445 1.00 0.00 N ATOM 67 CA SER A 8 -8.615 22.112 -1.814 1.00 0.00 C ATOM 68 C SER A 8 -7.538 21.100 -2.191 1.00 0.00 C ATOM 69 O SER A 8 -6.932 21.190 -3.259 1.00 0.00 O ATOM 70 CB SER A 8 -9.992 21.585 -2.224 1.00 0.00 C ATOM 71 OG SER A 8 -10.398 20.516 -1.387 1.00 0.00 O ATOM 0 H SER A 8 -8.515 23.417 -3.453 1.00 0.00 H new ATOM 0 HA SER A 8 -8.594 22.253 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.724 22.391 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.963 21.249 -3.260 1.00 0.00 H new ATOM 0 HG SER A 8 -11.281 20.198 -1.668 1.00 0.00 H new ATOM 77 N ASP A 9 -7.305 20.137 -1.306 1.00 0.00 N ATOM 78 CA ASP A 9 -6.302 19.106 -1.544 1.00 0.00 C ATOM 79 C ASP A 9 -6.567 18.383 -2.861 1.00 0.00 C ATOM 80 O ASP A 9 -7.531 18.687 -3.564 1.00 0.00 O ATOM 81 CB ASP A 9 -6.288 18.101 -0.390 1.00 0.00 C ATOM 82 CG ASP A 9 -7.663 17.530 -0.103 1.00 0.00 C ATOM 83 OD1 ASP A 9 -8.324 17.067 -1.056 1.00 0.00 O ATOM 84 OD2 ASP A 9 -8.077 17.546 1.074 1.00 0.00 O ATOM 0 H ASP A 9 -7.797 20.049 -0.417 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.327 19.590 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.603 17.288 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.905 18.588 0.507 1.00 0.00 H new ATOM 89 N ASP A 10 -5.706 17.426 -3.188 1.00 0.00 N ATOM 90 CA ASP A 10 -5.847 16.659 -4.421 1.00 0.00 C ATOM 91 C ASP A 10 -5.819 15.161 -4.136 1.00 0.00 C ATOM 92 O ASP A 10 -5.276 14.381 -4.916 1.00 0.00 O ATOM 93 CB ASP A 10 -4.734 17.025 -5.404 1.00 0.00 C ATOM 94 CG ASP A 10 -4.454 18.514 -5.435 1.00 0.00 C ATOM 95 OD1 ASP A 10 -5.258 19.256 -6.036 1.00 0.00 O ATOM 96 OD2 ASP A 10 -3.431 18.938 -4.857 1.00 0.00 O ATOM 0 H ASP A 10 -4.903 17.162 -2.617 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.811 16.907 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.823 16.493 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.011 16.690 -6.403 1.00 0.00 H new ATOM 101 N ALA A 11 -6.408 14.767 -3.011 1.00 0.00 N ATOM 102 CA ALA A 11 -6.452 13.363 -2.623 1.00 0.00 C ATOM 103 C ALA A 11 -7.139 12.519 -3.691 1.00 0.00 C ATOM 104 O ALA A 11 -6.868 11.325 -3.822 1.00 0.00 O ATOM 105 CB ALA A 11 -7.162 13.206 -1.287 1.00 0.00 C ATOM 0 H ALA A 11 -6.861 15.401 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.426 13.008 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.187 12.152 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.627 13.769 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.181 13.584 -1.370 1.00 0.00 H new ATOM 111 N ARG A 12 -8.029 13.147 -4.453 1.00 0.00 N ATOM 112 CA ARG A 12 -8.756 12.452 -5.509 1.00 0.00 C ATOM 113 C ARG A 12 -7.885 12.286 -6.750 1.00 0.00 C ATOM 114 O ARG A 12 -8.190 11.483 -7.632 1.00 0.00 O ATOM 115 CB ARG A 12 -10.032 13.217 -5.867 1.00 0.00 C ATOM 116 CG ARG A 12 -11.132 13.086 -4.827 1.00 0.00 C ATOM 117 CD ARG A 12 -12.141 14.219 -4.937 1.00 0.00 C ATOM 118 NE ARG A 12 -12.514 14.487 -6.323 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.373 15.434 -6.683 1.00 0.00 C ATOM 120 NH1 ARG A 12 -13.943 16.200 -5.763 1.00 0.00 N ATOM 121 NH2 ARG A 12 -13.662 15.617 -7.965 1.00 0.00 N ATOM 0 H ARG A 12 -8.264 14.135 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.025 11.462 -5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.789 14.272 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.405 12.856 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.641 12.130 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.693 13.084 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.033 13.967 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.722 15.122 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.092 13.916 -7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.722 16.063 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.602 16.927 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.224 15.030 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.322 16.345 -8.240 1.00 0.00 H new ATOM 135 N ARG A 13 -6.800 13.051 -6.812 1.00 0.00 N ATOM 136 CA ARG A 13 -5.885 12.990 -7.946 1.00 0.00 C ATOM 137 C ARG A 13 -4.715 12.056 -7.651 1.00 0.00 C ATOM 138 O ARG A 13 -3.552 12.453 -7.742 1.00 0.00 O ATOM 139 CB ARG A 13 -5.364 14.388 -8.284 1.00 0.00 C ATOM 140 CG ARG A 13 -6.258 15.155 -9.245 1.00 0.00 C ATOM 141 CD ARG A 13 -6.172 16.655 -9.008 1.00 0.00 C ATOM 142 NE ARG A 13 -6.464 17.418 -10.219 1.00 0.00 N ATOM 143 CZ ARG A 13 -6.350 18.739 -10.300 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.952 19.439 -9.248 1.00 0.00 N ATOM 145 NH2 ARG A 13 -6.634 19.361 -11.437 1.00 0.00 N ATOM 0 H ARG A 13 -6.533 13.720 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.433 12.598 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.260 14.960 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.368 14.300 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.968 14.930 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.290 14.825 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.873 16.939 -8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.174 16.909 -8.651 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.772 16.909 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.732 18.964 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.865 20.453 -9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.940 18.825 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.546 20.375 -11.499 1.00 0.00 H new ATOM 159 N LEU A 14 -5.030 10.816 -7.296 1.00 0.00 N ATOM 160 CA LEU A 14 -4.004 9.825 -6.987 1.00 0.00 C ATOM 161 C LEU A 14 -4.385 8.456 -7.542 1.00 0.00 C ATOM 162 O LEU A 14 -5.534 8.026 -7.431 1.00 0.00 O ATOM 163 CB LEU A 14 -3.794 9.735 -5.475 1.00 0.00 C ATOM 164 CG LEU A 14 -2.759 10.691 -4.882 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.393 12.039 -4.572 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.135 10.093 -3.630 1.00 0.00 C ATOM 0 H LEU A 14 -5.987 10.472 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.074 10.141 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.750 9.917 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.499 8.715 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.970 10.844 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.641 12.706 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.791 12.473 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.202 11.904 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.401 10.788 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.912 9.909 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.644 9.153 -3.882 1.00 0.00 H new ATOM 178 N THR A 15 -3.412 7.773 -8.137 1.00 0.00 N ATOM 179 CA THR A 15 -3.644 6.452 -8.708 1.00 0.00 C ATOM 180 C THR A 15 -2.639 5.438 -8.174 1.00 0.00 C ATOM 181 O THR A 15 -1.469 5.759 -7.967 1.00 0.00 O ATOM 182 CB THR A 15 -3.559 6.482 -10.246 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.312 7.588 -10.757 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.084 5.185 -10.842 1.00 0.00 C ATOM 0 H THR A 15 -2.455 8.113 -8.236 1.00 0.00 H new ATOM 0 HA THR A 15 -4.650 6.152 -8.413 1.00 0.00 H new ATOM 0 HB THR A 15 -2.512 6.595 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.251 7.601 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.014 5.229 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.490 4.349 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.125 5.046 -10.551 1.00 0.00 H new ATOM 192 N VAL A 16 -3.103 4.212 -7.954 1.00 0.00 N ATOM 193 CA VAL A 16 -2.243 3.149 -7.446 1.00 0.00 C ATOM 194 C VAL A 16 -1.753 2.251 -8.576 1.00 0.00 C ATOM 195 O VAL A 16 -2.532 1.835 -9.433 1.00 0.00 O ATOM 196 CB VAL A 16 -2.975 2.287 -6.400 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.015 1.302 -5.753 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.634 3.169 -5.350 1.00 0.00 C ATOM 0 H VAL A 16 -4.069 3.930 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.388 3.632 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.755 1.718 -6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.550 0.702 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.594 0.648 -6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.211 1.848 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.147 2.544 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.873 3.766 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.355 3.830 -5.831 1.00 0.00 H new ATOM 208 N MET A 17 -0.458 1.956 -8.570 1.00 0.00 N ATOM 209 CA MET A 17 0.136 1.105 -9.595 1.00 0.00 C ATOM 210 C MET A 17 0.707 -0.169 -8.979 1.00 0.00 C ATOM 211 O MET A 17 0.767 -0.307 -7.757 1.00 0.00 O ATOM 212 CB MET A 17 1.236 1.861 -10.342 1.00 0.00 C ATOM 213 CG MET A 17 0.777 3.192 -10.915 1.00 0.00 C ATOM 214 SD MET A 17 1.850 3.787 -12.236 1.00 0.00 S ATOM 215 CE MET A 17 0.903 3.313 -13.681 1.00 0.00 C ATOM 0 H MET A 17 0.200 2.293 -7.868 1.00 0.00 H new ATOM 0 HA MET A 17 -0.647 0.828 -10.301 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.071 2.035 -9.663 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.610 1.235 -11.153 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.239 3.088 -11.296 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.743 3.934 -10.117 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.438 3.614 -14.582 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.764 2.232 -13.686 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.070 3.804 -13.656 1.00 0.00 H new ATOM 225 N SER A 18 1.125 -1.098 -9.833 1.00 0.00 N ATOM 226 CA SER A 18 1.687 -2.362 -9.373 1.00 0.00 C ATOM 227 C SER A 18 0.888 -2.916 -8.197 1.00 0.00 C ATOM 228 O SER A 18 1.447 -3.527 -7.284 1.00 0.00 O ATOM 229 CB SER A 18 3.151 -2.177 -8.968 1.00 0.00 C ATOM 230 OG SER A 18 3.270 -1.265 -7.890 1.00 0.00 O ATOM 0 H SER A 18 1.085 -0.999 -10.847 1.00 0.00 H new ATOM 0 HA SER A 18 1.633 -3.076 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.577 -3.139 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.725 -1.814 -9.821 1.00 0.00 H new ATOM 0 HG SER A 18 2.383 -1.087 -7.512 1.00 0.00 H new ATOM 236 N LEU A 19 -0.422 -2.697 -8.224 1.00 0.00 N ATOM 237 CA LEU A 19 -1.299 -3.173 -7.161 1.00 0.00 C ATOM 238 C LEU A 19 -2.170 -4.327 -7.648 1.00 0.00 C ATOM 239 O LEU A 19 -2.867 -4.207 -8.655 1.00 0.00 O ATOM 240 CB LEU A 19 -2.183 -2.032 -6.652 1.00 0.00 C ATOM 241 CG LEU A 19 -2.844 -2.250 -5.291 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.934 -1.768 -4.172 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.189 -1.540 -5.231 1.00 0.00 C ATOM 0 H LEU A 19 -0.900 -2.193 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.674 -3.533 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.578 -1.127 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.966 -1.849 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.014 -3.318 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.421 -1.931 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.996 -2.322 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.732 -0.705 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.645 -1.706 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.043 -0.471 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.843 -1.934 -6.009 1.00 0.00 H new ATOM 255 N GLN A 20 -2.124 -5.442 -6.927 1.00 0.00 N ATOM 256 CA GLN A 20 -2.910 -6.616 -7.286 1.00 0.00 C ATOM 257 C GLN A 20 -4.135 -6.748 -6.386 1.00 0.00 C ATOM 258 O GLN A 20 -4.320 -5.964 -5.456 1.00 0.00 O ATOM 259 CB GLN A 20 -2.053 -7.879 -7.188 1.00 0.00 C ATOM 260 CG GLN A 20 -1.544 -8.162 -5.783 1.00 0.00 C ATOM 261 CD GLN A 20 -0.209 -7.502 -5.502 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.148 -6.326 -5.143 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.871 -8.258 -5.663 1.00 0.00 N ATOM 0 H GLN A 20 -1.551 -5.557 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.249 -6.494 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.637 -8.732 -7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.201 -7.783 -7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.278 -7.812 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.449 -9.239 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.774 -9.228 -5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.797 -7.868 -5.488 1.00 0.00 H new ATOM 272 N GLU A 21 -4.968 -7.744 -6.671 1.00 0.00 N ATOM 273 CA GLU A 21 -6.175 -7.976 -5.887 1.00 0.00 C ATOM 274 C GLU A 21 -6.106 -9.320 -5.167 1.00 0.00 C ATOM 275 O GLU A 21 -6.380 -9.410 -3.971 1.00 0.00 O ATOM 276 CB GLU A 21 -7.411 -7.931 -6.788 1.00 0.00 C ATOM 277 CG GLU A 21 -7.910 -6.523 -7.066 1.00 0.00 C ATOM 278 CD GLU A 21 -8.652 -5.923 -5.888 1.00 0.00 C ATOM 279 OE1 GLU A 21 -9.872 -6.163 -5.771 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.013 -5.214 -5.082 1.00 0.00 O ATOM 0 H GLU A 21 -4.829 -8.402 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.250 -7.186 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.178 -8.419 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.211 -8.506 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.063 -5.885 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.568 -6.540 -7.935 1.00 0.00 H new ATOM 287 N SER A 22 -5.740 -10.363 -5.906 1.00 0.00 N ATOM 288 CA SER A 22 -5.639 -11.703 -5.341 1.00 0.00 C ATOM 289 C SER A 22 -4.272 -12.314 -5.632 1.00 0.00 C ATOM 290 O SER A 22 -4.093 -13.529 -5.554 1.00 0.00 O ATOM 291 CB SER A 22 -6.742 -12.601 -5.903 1.00 0.00 C ATOM 292 OG SER A 22 -6.914 -13.759 -5.104 1.00 0.00 O ATOM 0 H SER A 22 -5.509 -10.305 -6.898 1.00 0.00 H new ATOM 0 HA SER A 22 -5.760 -11.625 -4.261 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.679 -12.046 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.493 -12.893 -6.923 1.00 0.00 H new ATOM 0 HG SER A 22 -6.040 -14.165 -4.924 1.00 0.00 H new ATOM 298 N GLY A 23 -3.309 -11.461 -5.968 1.00 0.00 N ATOM 299 CA GLY A 23 -1.970 -11.935 -6.267 1.00 0.00 C ATOM 300 C GLY A 23 -1.013 -11.735 -5.108 1.00 0.00 C ATOM 301 O GLY A 23 0.202 -11.863 -5.267 1.00 0.00 O ATOM 0 H GLY A 23 -3.432 -10.451 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.011 -12.994 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.589 -11.411 -7.143 1.00 0.00 H new ATOM 305 N LEU A 24 -1.559 -11.419 -3.940 1.00 0.00 N ATOM 306 CA LEU A 24 -0.745 -11.199 -2.749 1.00 0.00 C ATOM 307 C LEU A 24 -0.091 -12.498 -2.289 1.00 0.00 C ATOM 308 O LEU A 24 -0.312 -13.558 -2.874 1.00 0.00 O ATOM 309 CB LEU A 24 -1.601 -10.618 -1.622 1.00 0.00 C ATOM 310 CG LEU A 24 -2.040 -9.164 -1.793 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.472 -8.576 -0.459 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.918 -8.337 -2.404 1.00 0.00 C ATOM 0 H LEU A 24 -2.562 -11.309 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 24 0.041 -10.488 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.493 -11.235 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.043 -10.701 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.893 -9.140 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.781 -7.540 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.307 -9.152 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.638 -8.613 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.248 -7.304 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.046 -8.369 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.656 -8.745 -3.380 1.00 0.00 H new ATOM 324 N LYS A 25 0.714 -12.408 -1.236 1.00 0.00 N ATOM 325 CA LYS A 25 1.398 -13.576 -0.693 1.00 0.00 C ATOM 326 C LYS A 25 1.545 -13.466 0.821 1.00 0.00 C ATOM 327 O LYS A 25 1.933 -12.421 1.342 1.00 0.00 O ATOM 328 CB LYS A 25 2.776 -13.732 -1.340 1.00 0.00 C ATOM 329 CG LYS A 25 2.722 -13.930 -2.845 1.00 0.00 C ATOM 330 CD LYS A 25 4.102 -14.200 -3.422 1.00 0.00 C ATOM 331 CE LYS A 25 4.036 -14.490 -4.913 1.00 0.00 C ATOM 332 NZ LYS A 25 3.590 -13.300 -5.690 1.00 0.00 N ATOM 0 H LYS A 25 0.909 -11.538 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 25 0.796 -14.456 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.374 -12.848 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.286 -14.583 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.059 -14.763 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.298 -13.043 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.746 -13.338 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.554 -15.047 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.018 -14.807 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.351 -15.318 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.671 -13.499 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.600 -13.085 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.188 -12.484 -5.449 1.00 0.00 H new ATOM 346 N VAL A 26 1.234 -14.552 1.522 1.00 0.00 N ATOM 347 CA VAL A 26 1.334 -14.578 2.976 1.00 0.00 C ATOM 348 C VAL A 26 2.778 -14.776 3.424 1.00 0.00 C ATOM 349 O VAL A 26 3.509 -15.585 2.855 1.00 0.00 O ATOM 350 CB VAL A 26 0.463 -15.696 3.579 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.998 -15.494 3.208 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.955 -17.060 3.119 1.00 0.00 C ATOM 0 H VAL A 26 0.911 -15.425 1.106 1.00 0.00 H new ATOM 0 HA VAL A 26 0.974 -13.614 3.335 1.00 0.00 H new ATOM 0 HB VAL A 26 0.546 -15.652 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.598 -16.294 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.341 -14.533 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.104 -15.510 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.329 -17.839 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.903 -17.118 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.987 -17.202 3.441 1.00 0.00 H new ATOM 362 N ASN A 27 3.182 -14.030 4.448 1.00 0.00 N ATOM 363 CA ASN A 27 4.539 -14.124 4.973 1.00 0.00 C ATOM 364 C ASN A 27 5.562 -13.738 3.908 1.00 0.00 C ATOM 365 O ASN A 27 6.651 -14.307 3.845 1.00 0.00 O ATOM 366 CB ASN A 27 4.818 -15.542 5.473 1.00 0.00 C ATOM 367 CG ASN A 27 3.635 -16.138 6.211 1.00 0.00 C ATOM 368 OD1 ASN A 27 2.833 -15.418 6.806 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.520 -17.461 6.175 1.00 0.00 N ATOM 0 H ASN A 27 2.589 -13.354 4.930 1.00 0.00 H new ATOM 0 HA ASN A 27 4.628 -13.428 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.073 -16.179 4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.685 -15.527 6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.744 -17.919 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.208 -18.019 5.670 1.00 0.00 H new ATOM 376 N GLN A 28 5.202 -12.766 3.075 1.00 0.00 N ATOM 377 CA GLN A 28 6.089 -12.304 2.014 1.00 0.00 C ATOM 378 C GLN A 28 5.993 -10.792 1.844 1.00 0.00 C ATOM 379 O GLN A 28 4.926 -10.193 1.983 1.00 0.00 O ATOM 380 CB GLN A 28 5.746 -13.000 0.695 1.00 0.00 C ATOM 381 CG GLN A 28 6.156 -14.463 0.655 1.00 0.00 C ATOM 382 CD GLN A 28 6.449 -14.949 -0.751 1.00 0.00 C ATOM 383 OE1 GLN A 28 7.145 -14.282 -1.518 1.00 0.00 O ATOM 384 NE2 GLN A 28 5.919 -16.116 -1.098 1.00 0.00 N ATOM 0 H GLN A 28 4.304 -12.284 3.115 1.00 0.00 H new ATOM 0 HA GLN A 28 7.112 -12.555 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.672 -12.927 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.235 -12.472 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.040 -14.606 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.361 -15.071 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.349 -16.636 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.082 -16.493 -2.032 1.00 0.00 H new ATOM 393 N PRO A 29 7.134 -10.157 1.537 1.00 0.00 N ATOM 394 CA PRO A 29 7.205 -8.706 1.342 1.00 0.00 C ATOM 395 C PRO A 29 6.497 -8.257 0.068 1.00 0.00 C ATOM 396 O PRO A 29 6.882 -8.643 -1.036 1.00 0.00 O ATOM 397 CB PRO A 29 8.708 -8.434 1.243 1.00 0.00 C ATOM 398 CG PRO A 29 9.294 -9.717 0.766 1.00 0.00 C ATOM 399 CD PRO A 29 8.443 -10.807 1.356 1.00 0.00 C ATOM 0 HA PRO A 29 6.712 -8.162 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.918 -7.620 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.122 -8.144 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.291 -9.766 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.331 -9.815 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.376 -11.668 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.848 -11.165 2.302 1.00 0.00 H new ATOM 407 N ALA A 30 5.462 -7.439 0.228 1.00 0.00 N ATOM 408 CA ALA A 30 4.703 -6.936 -0.910 1.00 0.00 C ATOM 409 C ALA A 30 4.611 -5.415 -0.880 1.00 0.00 C ATOM 410 O ALA A 30 4.034 -4.836 0.042 1.00 0.00 O ATOM 411 CB ALA A 30 3.311 -7.551 -0.929 1.00 0.00 C ATOM 0 H ALA A 30 5.130 -7.111 1.135 1.00 0.00 H new ATOM 0 HA ALA A 30 5.228 -7.224 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.755 -7.167 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.393 -8.635 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.786 -7.292 -0.009 1.00 0.00 H new ATOM 417 N SER A 31 5.183 -4.771 -1.892 1.00 0.00 N ATOM 418 CA SER A 31 5.169 -3.315 -1.978 1.00 0.00 C ATOM 419 C SER A 31 4.539 -2.855 -3.289 1.00 0.00 C ATOM 420 O SER A 31 4.649 -3.528 -4.314 1.00 0.00 O ATOM 421 CB SER A 31 6.591 -2.763 -1.861 1.00 0.00 C ATOM 422 OG SER A 31 7.415 -3.249 -2.906 1.00 0.00 O ATOM 0 H SER A 31 5.662 -5.234 -2.664 1.00 0.00 H new ATOM 0 HA SER A 31 4.569 -2.932 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.565 -1.674 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.016 -3.045 -0.898 1.00 0.00 H new ATOM 0 HG SER A 31 8.318 -2.880 -2.809 1.00 0.00 H new ATOM 428 N PHE A 32 3.879 -1.702 -3.248 1.00 0.00 N ATOM 429 CA PHE A 32 3.230 -1.150 -4.432 1.00 0.00 C ATOM 430 C PHE A 32 3.692 0.281 -4.688 1.00 0.00 C ATOM 431 O PHE A 32 4.319 0.905 -3.832 1.00 0.00 O ATOM 432 CB PHE A 32 1.709 -1.186 -4.269 1.00 0.00 C ATOM 433 CG PHE A 32 1.212 -0.372 -3.108 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.291 1.011 -3.131 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.665 -0.990 -1.995 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.833 1.763 -2.065 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.206 -0.244 -0.927 1.00 0.00 C ATOM 438 CZ PHE A 32 0.291 1.135 -0.961 1.00 0.00 C ATOM 0 H PHE A 32 3.779 -1.132 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 32 3.511 -1.762 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.245 -0.820 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.389 -2.220 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.715 1.507 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.597 -2.067 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.899 2.841 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.219 -0.738 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.066 1.720 -0.126 1.00 0.00 H new ATOM 448 N ALA A 33 3.378 0.795 -5.872 1.00 0.00 N ATOM 449 CA ALA A 33 3.759 2.153 -6.241 1.00 0.00 C ATOM 450 C ALA A 33 2.543 3.073 -6.280 1.00 0.00 C ATOM 451 O ALA A 33 1.457 2.665 -6.694 1.00 0.00 O ATOM 452 CB ALA A 33 4.467 2.155 -7.588 1.00 0.00 C ATOM 0 H ALA A 33 2.861 0.292 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 33 4.444 2.531 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.746 3.175 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.363 1.538 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.800 1.753 -8.350 1.00 0.00 H new ATOM 458 N ILE A 34 2.732 4.314 -5.847 1.00 0.00 N ATOM 459 CA ILE A 34 1.651 5.291 -5.833 1.00 0.00 C ATOM 460 C ILE A 34 1.900 6.402 -6.848 1.00 0.00 C ATOM 461 O ILE A 34 2.832 7.193 -6.702 1.00 0.00 O ATOM 462 CB ILE A 34 1.476 5.917 -4.436 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.114 4.840 -3.412 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.409 7.002 -4.472 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.152 5.329 -1.981 1.00 0.00 C ATOM 0 H ILE A 34 3.624 4.667 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 34 0.739 4.756 -6.100 1.00 0.00 H new ATOM 0 HB ILE A 34 2.420 6.373 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.115 4.462 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.803 4.002 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.297 7.435 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.705 7.780 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.540 6.569 -4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.885 4.512 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.156 5.680 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.443 6.147 -1.857 1.00 0.00 H new ATOM 477 N ARG A 35 1.059 6.456 -7.876 1.00 0.00 N ATOM 478 CA ARG A 35 1.188 7.470 -8.915 1.00 0.00 C ATOM 479 C ARG A 35 0.593 8.798 -8.456 1.00 0.00 C ATOM 480 O ARG A 35 -0.464 8.831 -7.823 1.00 0.00 O ATOM 481 CB ARG A 35 0.496 7.006 -10.198 1.00 0.00 C ATOM 482 CG ARG A 35 -0.008 8.148 -11.066 1.00 0.00 C ATOM 483 CD ARG A 35 -0.009 7.770 -12.539 1.00 0.00 C ATOM 484 NE ARG A 35 1.344 7.590 -13.058 1.00 0.00 N ATOM 485 CZ ARG A 35 2.156 8.597 -13.357 1.00 0.00 C ATOM 486 NH1 ARG A 35 1.755 9.850 -13.187 1.00 0.00 N ATOM 487 NH2 ARG A 35 3.373 8.353 -13.826 1.00 0.00 N ATOM 0 H ARG A 35 0.282 5.810 -8.011 1.00 0.00 H new ATOM 0 HA ARG A 35 2.249 7.617 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.193 6.400 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.344 6.363 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.017 8.422 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.620 9.026 -10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.576 6.849 -12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.517 8.546 -13.112 1.00 0.00 H new ATOM 0 HE ARG A 35 1.684 6.639 -13.199 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.821 10.042 -12.826 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.381 10.622 -13.418 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.686 7.391 -13.957 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.996 9.127 -14.055 1.00 0.00 H new ATOM 501 N LEU A 36 1.278 9.890 -8.777 1.00 0.00 N ATOM 502 CA LEU A 36 0.818 11.221 -8.397 1.00 0.00 C ATOM 503 C LEU A 36 0.523 12.068 -9.631 1.00 0.00 C ATOM 504 O LEU A 36 1.406 12.318 -10.450 1.00 0.00 O ATOM 505 CB LEU A 36 1.867 11.915 -7.527 1.00 0.00 C ATOM 506 CG LEU A 36 2.424 11.094 -6.363 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.451 11.901 -5.584 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.299 10.633 -5.448 1.00 0.00 C ATOM 0 H LEU A 36 2.154 9.880 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.104 11.111 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.699 12.214 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.429 12.828 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 36 2.918 10.212 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.836 11.301 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.272 12.180 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.982 12.802 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.714 10.050 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.775 11.502 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.600 10.016 -6.013 1.00 0.00 H new ATOM 520 N ASN A 37 -0.725 12.508 -9.755 1.00 0.00 N ATOM 521 CA ASN A 37 -1.136 13.329 -10.889 1.00 0.00 C ATOM 522 C ASN A 37 -0.894 14.809 -10.605 1.00 0.00 C ATOM 523 O ASN A 37 -1.548 15.677 -11.181 1.00 0.00 O ATOM 524 CB ASN A 37 -2.614 13.094 -11.206 1.00 0.00 C ATOM 525 CG ASN A 37 -2.855 11.758 -11.882 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.774 11.646 -13.106 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.154 10.738 -11.087 1.00 0.00 N ATOM 0 H ASN A 37 -1.469 12.310 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.536 13.040 -11.752 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.193 13.141 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.976 13.895 -11.851 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.328 9.815 -11.485 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.210 10.877 -10.078 1.00 0.00 H new ATOM 534 N GLY A 38 0.050 15.088 -9.712 1.00 0.00 N ATOM 535 CA GLY A 38 0.362 16.463 -9.367 1.00 0.00 C ATOM 536 C GLY A 38 -0.237 16.877 -8.038 1.00 0.00 C ATOM 537 O GLY A 38 -0.507 18.057 -7.812 1.00 0.00 O ATOM 0 H GLY A 38 0.605 14.387 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.444 16.588 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.008 17.124 -10.151 1.00 0.00 H new ATOM 541 N ALA A 39 -0.447 15.905 -7.156 1.00 0.00 N ATOM 542 CA ALA A 39 -1.018 16.176 -5.843 1.00 0.00 C ATOM 543 C ALA A 39 0.075 16.443 -4.814 1.00 0.00 C ATOM 544 O ALA A 39 0.983 15.632 -4.631 1.00 0.00 O ATOM 545 CB ALA A 39 -1.892 15.013 -5.398 1.00 0.00 C ATOM 0 H ALA A 39 -0.230 14.923 -7.327 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.635 17.071 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.312 15.229 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.700 14.870 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.290 14.106 -5.344 1.00 0.00 H new ATOM 551 N LYS A 40 -0.018 17.587 -4.143 1.00 0.00 N ATOM 552 CA LYS A 40 0.963 17.962 -3.131 1.00 0.00 C ATOM 553 C LYS A 40 0.339 17.951 -1.739 1.00 0.00 C ATOM 554 O LYS A 40 -0.836 18.273 -1.572 1.00 0.00 O ATOM 555 CB LYS A 40 1.534 19.349 -3.435 1.00 0.00 C ATOM 556 CG LYS A 40 0.560 20.482 -3.159 1.00 0.00 C ATOM 557 CD LYS A 40 -0.306 20.780 -4.371 1.00 0.00 C ATOM 558 CE LYS A 40 -0.886 22.185 -4.309 1.00 0.00 C ATOM 559 NZ LYS A 40 -2.185 22.217 -3.582 1.00 0.00 N ATOM 0 H LYS A 40 -0.763 18.270 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 40 1.771 17.230 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.434 19.501 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.835 19.387 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.075 20.219 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.113 21.378 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.287 20.670 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.116 20.053 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.177 22.849 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.027 22.565 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.684 23.103 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.768 21.409 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.011 22.162 -2.558 1.00 0.00 H new ATOM 573 N GLY A 41 1.136 17.578 -0.742 1.00 0.00 N ATOM 574 CA GLY A 41 0.644 17.533 0.623 1.00 0.00 C ATOM 575 C GLY A 41 1.369 16.503 1.466 1.00 0.00 C ATOM 576 O GLY A 41 2.525 16.697 1.841 1.00 0.00 O ATOM 0 H GLY A 41 2.113 17.306 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.757 18.516 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.422 17.306 0.615 1.00 0.00 H new ATOM 580 N LYS A 42 0.687 15.402 1.768 1.00 0.00 N ATOM 581 CA LYS A 42 1.271 14.336 2.573 1.00 0.00 C ATOM 582 C LYS A 42 0.711 12.977 2.165 1.00 0.00 C ATOM 583 O LYS A 42 -0.413 12.882 1.671 1.00 0.00 O ATOM 584 CB LYS A 42 1.003 14.586 4.059 1.00 0.00 C ATOM 585 CG LYS A 42 1.856 13.734 4.982 1.00 0.00 C ATOM 586 CD LYS A 42 3.212 14.372 5.234 1.00 0.00 C ATOM 587 CE LYS A 42 3.852 13.838 6.506 1.00 0.00 C ATOM 588 NZ LYS A 42 4.405 12.468 6.316 1.00 0.00 N ATOM 0 H LYS A 42 -0.271 15.225 1.467 1.00 0.00 H new ATOM 0 HA LYS A 42 2.347 14.332 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.183 15.638 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.049 14.392 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.338 13.592 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.994 12.746 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.869 14.179 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.098 15.453 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.649 14.511 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.112 13.823 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.832 12.140 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.640 11.820 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.129 12.486 5.570 1.00 0.00 H new ATOM 602 N ILE A 43 1.500 11.930 2.376 1.00 0.00 N ATOM 603 CA ILE A 43 1.081 10.577 2.033 1.00 0.00 C ATOM 604 C ILE A 43 1.107 9.666 3.256 1.00 0.00 C ATOM 605 O ILE A 43 2.157 9.458 3.866 1.00 0.00 O ATOM 606 CB ILE A 43 1.977 9.971 0.936 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.918 10.825 -0.331 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.555 8.540 0.638 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.074 10.585 -1.277 1.00 0.00 C ATOM 0 H ILE A 43 2.433 11.992 2.783 1.00 0.00 H new ATOM 0 HA ILE A 43 0.060 10.649 1.658 1.00 0.00 H new ATOM 0 HB ILE A 43 3.006 9.958 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.983 10.621 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.902 11.878 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.197 8.126 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.645 7.938 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.520 8.529 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.966 11.225 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.012 10.817 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.078 9.541 -1.589 1.00 0.00 H new ATOM 621 N ASP A 44 -0.053 9.124 3.607 1.00 0.00 N ATOM 622 CA ASP A 44 -0.164 8.233 4.756 1.00 0.00 C ATOM 623 C ASP A 44 -0.687 6.863 4.333 1.00 0.00 C ATOM 624 O ASP A 44 -1.841 6.727 3.927 1.00 0.00 O ATOM 625 CB ASP A 44 -1.086 8.841 5.814 1.00 0.00 C ATOM 626 CG ASP A 44 -0.449 10.014 6.532 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.307 9.779 7.498 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.707 11.167 6.129 1.00 0.00 O ATOM 0 H ASP A 44 -0.930 9.286 3.113 1.00 0.00 H new ATOM 0 HA ASP A 44 0.831 8.106 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.012 9.168 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.354 8.075 6.542 1.00 0.00 H new ATOM 633 N ALA A 45 0.170 5.852 4.430 1.00 0.00 N ATOM 634 CA ALA A 45 -0.207 4.494 4.059 1.00 0.00 C ATOM 635 C ALA A 45 -0.044 3.538 5.235 1.00 0.00 C ATOM 636 O ALA A 45 1.030 3.448 5.832 1.00 0.00 O ATOM 637 CB ALA A 45 0.623 4.022 2.874 1.00 0.00 C ATOM 0 H ALA A 45 1.130 5.948 4.762 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.259 4.500 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.331 3.006 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.453 4.683 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.680 4.038 3.141 1.00 0.00 H new ATOM 643 N LYS A 46 -1.115 2.825 5.565 1.00 0.00 N ATOM 644 CA LYS A 46 -1.092 1.874 6.671 1.00 0.00 C ATOM 645 C LYS A 46 -2.010 0.689 6.388 1.00 0.00 C ATOM 646 O LYS A 46 -3.055 0.838 5.756 1.00 0.00 O ATOM 647 CB LYS A 46 -1.514 2.562 7.971 1.00 0.00 C ATOM 648 CG LYS A 46 -0.673 3.779 8.317 1.00 0.00 C ATOM 649 CD LYS A 46 -0.801 4.146 9.786 1.00 0.00 C ATOM 650 CE LYS A 46 -1.978 5.079 10.026 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.707 6.454 9.524 1.00 0.00 N ATOM 0 H LYS A 46 -2.011 2.887 5.082 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.073 1.503 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.558 2.864 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.452 1.844 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.372 3.579 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.983 4.624 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.926 3.240 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.118 4.624 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.864 4.680 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.198 5.119 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.396 7.116 9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.745 6.740 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.790 6.468 8.487 1.00 0.00 H new ATOM 665 N VAL A 47 -1.612 -0.487 6.863 1.00 0.00 N ATOM 666 CA VAL A 47 -2.400 -1.698 6.663 1.00 0.00 C ATOM 667 C VAL A 47 -3.256 -2.004 7.888 1.00 0.00 C ATOM 668 O VAL A 47 -2.753 -2.066 9.010 1.00 0.00 O ATOM 669 CB VAL A 47 -1.500 -2.911 6.363 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.808 -3.389 7.631 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.311 -4.033 5.734 1.00 0.00 C ATOM 0 H VAL A 47 -0.749 -0.627 7.389 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.048 -1.516 5.806 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.733 -2.605 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.176 -4.247 7.400 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.194 -2.585 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.558 -3.679 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.659 -4.882 5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.101 -4.339 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.755 -3.683 4.802 1.00 0.00 H new ATOM 681 N HIS A 48 -4.552 -2.196 7.664 1.00 0.00 N ATOM 682 CA HIS A 48 -5.479 -2.497 8.749 1.00 0.00 C ATOM 683 C HIS A 48 -5.665 -4.004 8.902 1.00 0.00 C ATOM 684 O HIS A 48 -5.236 -4.782 8.050 1.00 0.00 O ATOM 685 CB HIS A 48 -6.830 -1.828 8.495 1.00 0.00 C ATOM 686 CG HIS A 48 -6.809 -0.343 8.695 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.408 0.279 9.770 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.257 0.643 7.951 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.226 1.585 9.677 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.529 1.831 8.582 1.00 0.00 N ATOM 0 H HIS A 48 -4.984 -2.149 6.741 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.056 -2.105 9.674 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.148 -2.045 7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.574 -2.266 9.160 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.912 -0.194 10.520 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.705 0.518 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.586 2.325 10.377 1.00 0.00 H new ATOM 698 N SER A 49 -6.307 -4.408 9.993 1.00 0.00 N ATOM 699 CA SER A 49 -6.546 -5.822 10.260 1.00 0.00 C ATOM 700 C SER A 49 -7.947 -6.039 10.822 1.00 0.00 C ATOM 701 O SER A 49 -8.500 -5.193 11.525 1.00 0.00 O ATOM 702 CB SER A 49 -5.502 -6.362 11.239 1.00 0.00 C ATOM 703 OG SER A 49 -4.188 -6.144 10.754 1.00 0.00 O ATOM 0 H SER A 49 -6.671 -3.777 10.707 1.00 0.00 H new ATOM 0 HA SER A 49 -6.463 -6.363 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.621 -5.876 12.207 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.663 -7.429 11.396 1.00 0.00 H new ATOM 0 HG SER A 49 -3.924 -6.891 10.177 1.00 0.00 H new ATOM 709 N PRO A 50 -8.537 -7.202 10.506 1.00 0.00 N ATOM 710 CA PRO A 50 -9.881 -7.560 10.970 1.00 0.00 C ATOM 711 C PRO A 50 -9.924 -7.833 12.469 1.00 0.00 C ATOM 712 O PRO A 50 -10.992 -8.055 13.039 1.00 0.00 O ATOM 713 CB PRO A 50 -10.199 -8.835 10.185 1.00 0.00 C ATOM 714 CG PRO A 50 -8.869 -9.422 9.861 1.00 0.00 C ATOM 715 CD PRO A 50 -7.937 -8.258 9.673 1.00 0.00 C ATOM 0 HA PRO A 50 -10.596 -6.753 10.808 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.802 -9.524 10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.764 -8.612 9.280 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.524 -10.073 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.921 -10.030 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.924 -8.498 9.996 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.875 -7.958 8.627 1.00 0.00 H new ATOM 723 N SER A 51 -8.756 -7.814 13.103 1.00 0.00 N ATOM 724 CA SER A 51 -8.660 -8.063 14.537 1.00 0.00 C ATOM 725 C SER A 51 -8.712 -6.755 15.320 1.00 0.00 C ATOM 726 O SER A 51 -9.095 -6.733 16.489 1.00 0.00 O ATOM 727 CB SER A 51 -7.366 -8.813 14.860 1.00 0.00 C ATOM 728 OG SER A 51 -7.426 -10.154 14.406 1.00 0.00 O ATOM 0 H SER A 51 -7.863 -7.629 12.646 1.00 0.00 H new ATOM 0 HA SER A 51 -9.511 -8.677 14.832 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.522 -8.305 14.393 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.192 -8.798 15.936 1.00 0.00 H new ATOM 0 HG SER A 51 -6.587 -10.611 14.623 1.00 0.00 H new ATOM 734 N GLY A 52 -8.323 -5.665 14.666 1.00 0.00 N ATOM 735 CA GLY A 52 -8.333 -4.367 15.315 1.00 0.00 C ATOM 736 C GLY A 52 -6.936 -3.825 15.548 1.00 0.00 C ATOM 737 O GLY A 52 -6.698 -3.098 16.512 1.00 0.00 O ATOM 0 H GLY A 52 -8.001 -5.658 13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.895 -3.662 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.853 -4.445 16.270 1.00 0.00 H new ATOM 741 N ALA A 53 -6.010 -4.181 14.664 1.00 0.00 N ATOM 742 CA ALA A 53 -4.630 -3.725 14.778 1.00 0.00 C ATOM 743 C ALA A 53 -4.190 -2.986 13.519 1.00 0.00 C ATOM 744 O ALA A 53 -4.398 -3.463 12.403 1.00 0.00 O ATOM 745 CB ALA A 53 -3.706 -4.902 15.052 1.00 0.00 C ATOM 0 H ALA A 53 -6.190 -4.784 13.861 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.571 -3.029 15.615 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.679 -4.547 15.135 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.999 -5.385 15.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.777 -5.619 14.234 1.00 0.00 H new ATOM 751 N VAL A 54 -3.581 -1.819 13.705 1.00 0.00 N ATOM 752 CA VAL A 54 -3.112 -1.015 12.583 1.00 0.00 C ATOM 753 C VAL A 54 -1.591 -1.045 12.484 1.00 0.00 C ATOM 754 O VAL A 54 -0.891 -0.587 13.387 1.00 0.00 O ATOM 755 CB VAL A 54 -3.578 0.448 12.708 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.035 1.281 11.557 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.096 0.520 12.759 1.00 0.00 C ATOM 0 H VAL A 54 -3.401 -1.410 14.622 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.541 -1.450 11.680 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.186 0.858 13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.374 2.311 11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.945 1.255 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.396 0.875 10.612 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.408 1.561 12.847 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.511 0.093 11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.458 -0.042 13.620 1.00 0.00 H new ATOM 767 N GLU A 55 -1.086 -1.588 11.381 1.00 0.00 N ATOM 768 CA GLU A 55 0.354 -1.679 11.164 1.00 0.00 C ATOM 769 C GLU A 55 0.824 -0.611 10.181 1.00 0.00 C ATOM 770 O GLU A 55 0.196 -0.386 9.147 1.00 0.00 O ATOM 771 CB GLU A 55 0.727 -3.068 10.643 1.00 0.00 C ATOM 772 CG GLU A 55 0.974 -4.085 11.744 1.00 0.00 C ATOM 773 CD GLU A 55 -0.279 -4.402 12.538 1.00 0.00 C ATOM 774 OE1 GLU A 55 -1.288 -4.797 11.918 1.00 0.00 O ATOM 775 OE2 GLU A 55 -0.250 -4.254 13.777 1.00 0.00 O ATOM 0 H GLU A 55 -1.652 -1.971 10.624 1.00 0.00 H new ATOM 0 HA GLU A 55 0.851 -1.513 12.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.072 -3.431 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.623 -2.987 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.363 -5.003 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.741 -3.705 12.419 1.00 0.00 H new ATOM 782 N GLU A 56 1.932 0.044 10.513 1.00 0.00 N ATOM 783 CA GLU A 56 2.486 1.089 9.660 1.00 0.00 C ATOM 784 C GLU A 56 3.304 0.486 8.521 1.00 0.00 C ATOM 785 O GLU A 56 4.198 -0.330 8.750 1.00 0.00 O ATOM 786 CB GLU A 56 3.359 2.040 10.481 1.00 0.00 C ATOM 787 CG GLU A 56 2.609 3.252 11.009 1.00 0.00 C ATOM 788 CD GLU A 56 1.801 2.941 12.253 1.00 0.00 C ATOM 789 OE1 GLU A 56 2.408 2.808 13.337 1.00 0.00 O ATOM 790 OE2 GLU A 56 0.562 2.830 12.144 1.00 0.00 O ATOM 0 H GLU A 56 2.463 -0.130 11.366 1.00 0.00 H new ATOM 0 HA GLU A 56 1.655 1.649 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.786 1.493 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.192 2.379 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.321 4.047 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.943 3.629 10.233 1.00 0.00 H new ATOM 797 N CYS A 57 2.990 0.892 7.296 1.00 0.00 N ATOM 798 CA CYS A 57 3.695 0.391 6.121 1.00 0.00 C ATOM 799 C CYS A 57 4.892 1.275 5.787 1.00 0.00 C ATOM 800 O CYS A 57 4.795 2.502 5.803 1.00 0.00 O ATOM 801 CB CYS A 57 2.746 0.322 4.923 1.00 0.00 C ATOM 802 SG CYS A 57 1.257 -0.660 5.216 1.00 0.00 S ATOM 0 H CYS A 57 2.253 1.566 7.090 1.00 0.00 H new ATOM 0 HA CYS A 57 4.059 -0.612 6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.452 1.335 4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.283 -0.097 4.072 1.00 0.00 H new ATOM 0 HG CYS A 57 0.517 -0.656 4.147 1.00 0.00 H new ATOM 808 N HIS A 58 6.022 0.643 5.485 1.00 0.00 N ATOM 809 CA HIS A 58 7.239 1.372 5.148 1.00 0.00 C ATOM 810 C HIS A 58 7.080 2.112 3.824 1.00 0.00 C ATOM 811 O HIS A 58 7.049 1.499 2.757 1.00 0.00 O ATOM 812 CB HIS A 58 8.428 0.413 5.070 1.00 0.00 C ATOM 813 CG HIS A 58 9.754 1.089 5.235 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.375 1.785 4.220 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.578 1.173 6.306 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.524 2.267 4.659 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.671 1.911 5.922 1.00 0.00 N ATOM 0 H HIS A 58 6.120 -0.372 5.467 1.00 0.00 H new ATOM 0 HA HIS A 58 7.423 2.105 5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.320 -0.350 5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.408 -0.100 4.109 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.408 0.740 7.281 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.224 2.853 4.082 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.466 2.146 6.516 1.00 0.00 H new ATOM 825 N VAL A 59 6.979 3.436 3.900 1.00 0.00 N ATOM 826 CA VAL A 59 6.823 4.260 2.708 1.00 0.00 C ATOM 827 C VAL A 59 8.034 5.163 2.502 1.00 0.00 C ATOM 828 O VAL A 59 8.327 6.026 3.329 1.00 0.00 O ATOM 829 CB VAL A 59 5.556 5.132 2.790 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.406 5.728 4.181 1.00 0.00 C ATOM 831 CG2 VAL A 59 5.592 6.225 1.733 1.00 0.00 C ATOM 0 H VAL A 59 7.003 3.960 4.775 1.00 0.00 H new ATOM 0 HA VAL A 59 6.732 3.578 1.862 1.00 0.00 H new ATOM 0 HB VAL A 59 4.689 4.501 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.505 6.341 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.330 4.925 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.275 6.346 4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.689 6.831 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.467 6.856 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.646 5.772 0.743 1.00 0.00 H new ATOM 841 N SER A 60 8.736 4.958 1.392 1.00 0.00 N ATOM 842 CA SER A 60 9.919 5.751 1.077 1.00 0.00 C ATOM 843 C SER A 60 9.689 6.598 -0.170 1.00 0.00 C ATOM 844 O SER A 60 8.992 6.183 -1.095 1.00 0.00 O ATOM 845 CB SER A 60 11.130 4.839 0.873 1.00 0.00 C ATOM 846 OG SER A 60 12.281 5.591 0.528 1.00 0.00 O ATOM 0 H SER A 60 8.506 4.249 0.695 1.00 0.00 H new ATOM 0 HA SER A 60 10.113 6.418 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.321 4.273 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.916 4.115 0.087 1.00 0.00 H new ATOM 0 HG SER A 60 13.042 4.986 0.405 1.00 0.00 H new ATOM 852 N GLU A 61 10.280 7.789 -0.187 1.00 0.00 N ATOM 853 CA GLU A 61 10.140 8.695 -1.320 1.00 0.00 C ATOM 854 C GLU A 61 11.318 8.555 -2.279 1.00 0.00 C ATOM 855 O GLU A 61 12.415 9.046 -2.008 1.00 0.00 O ATOM 856 CB GLU A 61 10.033 10.142 -0.834 1.00 0.00 C ATOM 857 CG GLU A 61 10.064 11.165 -1.956 1.00 0.00 C ATOM 858 CD GLU A 61 10.032 12.593 -1.446 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.066 12.947 -0.737 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.970 13.356 -1.755 1.00 0.00 O ATOM 0 H GLU A 61 10.860 8.148 0.571 1.00 0.00 H new ATOM 0 HA GLU A 61 9.227 8.429 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.107 10.260 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.852 10.346 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.964 11.017 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.213 11.000 -2.616 1.00 0.00 H new ATOM 867 N LEU A 62 11.084 7.882 -3.400 1.00 0.00 N ATOM 868 CA LEU A 62 12.126 7.675 -4.400 1.00 0.00 C ATOM 869 C LEU A 62 12.014 8.702 -5.522 1.00 0.00 C ATOM 870 O LEU A 62 13.017 9.257 -5.971 1.00 0.00 O ATOM 871 CB LEU A 62 12.034 6.261 -4.976 1.00 0.00 C ATOM 872 CG LEU A 62 11.538 5.177 -4.019 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.303 3.873 -4.765 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.530 4.973 -2.883 1.00 0.00 C ATOM 0 H LEU A 62 10.182 7.470 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 62 13.093 7.800 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.371 6.285 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.021 5.973 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 62 10.590 5.503 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.950 3.113 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.554 4.028 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.236 3.542 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.160 4.198 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.494 4.670 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.647 5.905 -2.331 1.00 0.00 H new ATOM 886 N GLU A 63 10.787 8.951 -5.970 1.00 0.00 N ATOM 887 CA GLU A 63 10.545 9.913 -7.039 1.00 0.00 C ATOM 888 C GLU A 63 9.587 11.008 -6.579 1.00 0.00 C ATOM 889 O GLU A 63 8.731 10.798 -5.720 1.00 0.00 O ATOM 890 CB GLU A 63 9.976 9.207 -8.271 1.00 0.00 C ATOM 891 CG GLU A 63 10.448 7.771 -8.422 1.00 0.00 C ATOM 892 CD GLU A 63 11.889 7.676 -8.886 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.784 8.111 -8.133 1.00 0.00 O ATOM 894 OE2 GLU A 63 12.121 7.167 -10.003 1.00 0.00 O ATOM 0 H GLU A 63 9.946 8.500 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 63 11.497 10.374 -7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.887 9.219 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.256 9.768 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.343 7.256 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.806 7.255 -9.135 1.00 0.00 H new ATOM 901 N PRO A 64 9.735 12.206 -7.164 1.00 0.00 N ATOM 902 CA PRO A 64 8.892 13.359 -6.830 1.00 0.00 C ATOM 903 C PRO A 64 7.457 13.188 -7.318 1.00 0.00 C ATOM 904 O PRO A 64 6.565 13.940 -6.925 1.00 0.00 O ATOM 905 CB PRO A 64 9.572 14.518 -7.563 1.00 0.00 C ATOM 906 CG PRO A 64 10.298 13.878 -8.695 1.00 0.00 C ATOM 907 CD PRO A 64 10.735 12.528 -8.195 1.00 0.00 C ATOM 0 HA PRO A 64 8.810 13.507 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.841 15.243 -7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.257 15.054 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.652 13.781 -9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.156 14.478 -8.998 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.742 11.786 -8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.743 12.560 -7.781 1.00 0.00 H new ATOM 915 N ASP A 65 7.243 12.196 -8.174 1.00 0.00 N ATOM 916 CA ASP A 65 5.915 11.926 -8.714 1.00 0.00 C ATOM 917 C ASP A 65 5.528 10.466 -8.499 1.00 0.00 C ATOM 918 O ASP A 65 4.495 10.008 -8.989 1.00 0.00 O ATOM 919 CB ASP A 65 5.869 12.265 -10.205 1.00 0.00 C ATOM 920 CG ASP A 65 4.474 12.630 -10.672 1.00 0.00 C ATOM 921 OD1 ASP A 65 3.749 13.301 -9.908 1.00 0.00 O ATOM 922 OD2 ASP A 65 4.106 12.245 -11.802 1.00 0.00 O ATOM 0 H ASP A 65 7.971 11.565 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 65 5.199 12.555 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.546 13.095 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.230 11.412 -10.780 1.00 0.00 H new ATOM 927 N LYS A 66 6.364 9.740 -7.765 1.00 0.00 N ATOM 928 CA LYS A 66 6.110 8.331 -7.485 1.00 0.00 C ATOM 929 C LYS A 66 6.511 7.980 -6.056 1.00 0.00 C ATOM 930 O LYS A 66 7.433 8.574 -5.496 1.00 0.00 O ATOM 931 CB LYS A 66 6.876 7.448 -8.472 1.00 0.00 C ATOM 932 CG LYS A 66 6.390 6.009 -8.504 1.00 0.00 C ATOM 933 CD LYS A 66 7.149 5.187 -9.532 1.00 0.00 C ATOM 934 CE LYS A 66 6.771 3.715 -9.458 1.00 0.00 C ATOM 935 NZ LYS A 66 7.386 2.928 -10.563 1.00 0.00 N ATOM 0 H LYS A 66 7.223 10.104 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 66 5.041 8.150 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.789 7.874 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.934 7.460 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.511 5.561 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.325 5.989 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.939 5.568 -10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.221 5.297 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.090 3.306 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.686 3.616 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.104 1.931 -10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.062 3.302 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.422 3.001 -10.507 1.00 0.00 H new ATOM 949 N TYR A 67 5.815 7.012 -5.472 1.00 0.00 N ATOM 950 CA TYR A 67 6.098 6.583 -4.107 1.00 0.00 C ATOM 951 C TYR A 67 5.978 5.067 -3.977 1.00 0.00 C ATOM 952 O TYR A 67 5.284 4.419 -4.759 1.00 0.00 O ATOM 953 CB TYR A 67 5.144 7.267 -3.126 1.00 0.00 C ATOM 954 CG TYR A 67 5.545 8.684 -2.781 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.488 9.694 -3.734 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.982 9.012 -1.504 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.854 10.990 -3.423 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.348 10.305 -1.184 1.00 0.00 C ATOM 959 CZ TYR A 67 6.283 11.290 -2.147 1.00 0.00 C ATOM 960 OH TYR A 67 6.649 12.579 -1.833 1.00 0.00 O ATOM 0 H TYR A 67 5.050 6.509 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 67 7.122 6.871 -3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.141 7.276 -3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.095 6.679 -2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.152 9.462 -4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.037 8.243 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.804 11.764 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.683 10.543 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 67 7.453 12.564 -1.273 1.00 0.00 H new ATOM 970 N ALA A 68 6.659 4.510 -2.981 1.00 0.00 N ATOM 971 CA ALA A 68 6.627 3.072 -2.745 1.00 0.00 C ATOM 972 C ALA A 68 6.228 2.760 -1.307 1.00 0.00 C ATOM 973 O ALA A 68 6.657 3.437 -0.372 1.00 0.00 O ATOM 974 CB ALA A 68 7.981 2.455 -3.064 1.00 0.00 C ATOM 0 H ALA A 68 7.239 5.033 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 68 5.876 2.637 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.943 1.381 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.227 2.639 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.744 2.903 -2.428 1.00 0.00 H new ATOM 980 N VAL A 69 5.401 1.733 -1.136 1.00 0.00 N ATOM 981 CA VAL A 69 4.944 1.332 0.189 1.00 0.00 C ATOM 982 C VAL A 69 5.059 -0.177 0.377 1.00 0.00 C ATOM 983 O VAL A 69 4.341 -0.949 -0.259 1.00 0.00 O ATOM 984 CB VAL A 69 3.483 1.758 0.431 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.046 1.390 1.840 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.316 3.249 0.184 1.00 0.00 C ATOM 0 H VAL A 69 5.034 1.164 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 69 5.587 1.835 0.911 1.00 0.00 H new ATOM 0 HB VAL A 69 2.845 1.223 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.012 1.699 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.127 0.312 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.686 1.896 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.278 3.533 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.964 3.805 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.586 3.480 -0.847 1.00 0.00 H new ATOM 996 N ARG A 70 5.968 -0.590 1.254 1.00 0.00 N ATOM 997 CA ARG A 70 6.179 -2.007 1.525 1.00 0.00 C ATOM 998 C ARG A 70 5.360 -2.457 2.732 1.00 0.00 C ATOM 999 O ARG A 70 5.316 -1.774 3.755 1.00 0.00 O ATOM 1000 CB ARG A 70 7.663 -2.286 1.770 1.00 0.00 C ATOM 1001 CG ARG A 70 8.062 -3.730 1.512 1.00 0.00 C ATOM 1002 CD ARG A 70 9.242 -4.144 2.376 1.00 0.00 C ATOM 1003 NE ARG A 70 10.515 -3.698 1.814 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.147 -4.331 0.832 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.627 -5.432 0.306 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.301 -3.864 0.375 1.00 0.00 N ATOM 0 H ARG A 70 6.570 0.036 1.789 1.00 0.00 H new ATOM 0 HA ARG A 70 5.850 -2.571 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.257 -1.634 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.907 -2.029 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.214 -4.385 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.318 -3.856 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.122 -3.729 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.252 -5.229 2.480 1.00 0.00 H new ATOM 0 HE ARG A 70 10.942 -2.854 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.740 -5.794 0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.114 -5.916 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.704 -3.018 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.785 -4.351 -0.379 1.00 0.00 H new ATOM 1020 N PHE A 71 4.712 -3.610 2.604 1.00 0.00 N ATOM 1021 CA PHE A 71 3.893 -4.151 3.683 1.00 0.00 C ATOM 1022 C PHE A 71 3.692 -5.653 3.512 1.00 0.00 C ATOM 1023 O PHE A 71 3.681 -6.165 2.392 1.00 0.00 O ATOM 1024 CB PHE A 71 2.536 -3.444 3.725 1.00 0.00 C ATOM 1025 CG PHE A 71 1.548 -3.985 2.731 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.588 -3.583 1.406 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.579 -4.894 3.123 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.680 -4.079 0.489 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.331 -5.394 2.211 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.281 -4.985 0.892 1.00 0.00 C ATOM 0 H PHE A 71 4.738 -4.188 1.764 1.00 0.00 H new ATOM 0 HA PHE A 71 4.415 -3.977 4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.118 -3.536 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.683 -2.380 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.337 -2.874 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.534 -5.216 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.722 -3.758 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.080 -6.104 2.529 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.992 -5.373 0.178 1.00 0.00 H new ATOM 1040 N ILE A 72 3.534 -6.354 4.630 1.00 0.00 N ATOM 1041 CA ILE A 72 3.332 -7.797 4.604 1.00 0.00 C ATOM 1042 C ILE A 72 1.862 -8.151 4.800 1.00 0.00 C ATOM 1043 O ILE A 72 1.330 -8.107 5.910 1.00 0.00 O ATOM 1044 CB ILE A 72 4.167 -8.501 5.690 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.633 -8.073 5.595 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.042 -10.012 5.558 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.447 -8.428 6.820 1.00 0.00 C ATOM 0 H ILE A 72 3.542 -5.946 5.565 1.00 0.00 H new ATOM 0 HA ILE A 72 3.658 -8.144 3.623 1.00 0.00 H new ATOM 0 HB ILE A 72 3.785 -8.208 6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.084 -8.542 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.679 -6.995 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.638 -10.495 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.997 -10.302 5.670 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.401 -10.323 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.476 -8.095 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.021 -7.937 7.695 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.432 -9.508 6.966 1.00 0.00 H new ATOM 1059 N PRO A 73 1.188 -8.512 3.698 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.230 -8.883 3.723 1.00 0.00 C ATOM 1061 C PRO A 73 -0.468 -10.216 4.425 1.00 0.00 C ATOM 1062 O PRO A 73 -0.510 -11.267 3.784 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.596 -8.986 2.241 1.00 0.00 C ATOM 1064 CG PRO A 73 0.690 -9.291 1.553 1.00 0.00 C ATOM 1065 CD PRO A 73 1.759 -8.587 2.343 1.00 0.00 C ATOM 0 HA PRO A 73 -0.831 -8.160 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.333 -9.771 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.030 -8.056 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.871 -10.365 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.673 -8.941 0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.697 -9.141 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.970 -7.596 1.940 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.624 -10.166 5.744 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.860 -11.370 6.532 1.00 0.00 C ATOM 1075 C HIS A 74 -2.154 -11.252 7.331 1.00 0.00 C ATOM 1076 O HIS A 74 -2.210 -10.547 8.338 1.00 0.00 O ATOM 1077 CB HIS A 74 0.315 -11.625 7.477 1.00 0.00 C ATOM 1078 CG HIS A 74 0.950 -10.371 7.994 1.00 0.00 C ATOM 1079 ND1 HIS A 74 0.409 -9.175 8.323 1.00 0.00 N flip ATOM 1080 CD2 HIS A 74 2.305 -10.253 8.225 1.00 0.00 C flip ATOM 1081 CE1 HIS A 74 1.435 -8.365 8.744 1.00 0.00 C flip ATOM 1082 NE2 HIS A 74 2.569 -9.040 8.676 1.00 0.00 N flip ATOM 0 H HIS A 74 -0.591 -9.305 6.289 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.954 -12.211 5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.031 -12.222 8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.068 -12.216 6.956 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.578 -8.922 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.036 -11.031 8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.332 -7.343 9.077 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.192 -11.947 6.875 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.485 -11.917 7.547 1.00 0.00 C ATOM 1092 C GLU A 75 -5.182 -13.271 7.446 1.00 0.00 C ATOM 1093 O GLU A 75 -4.676 -14.195 6.810 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.374 -10.828 6.943 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.959 -9.419 7.333 1.00 0.00 C ATOM 1096 CD GLU A 75 -4.696 -9.278 8.819 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -5.337 -10.005 9.606 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -3.849 -8.441 9.195 1.00 0.00 O ATOM 0 H GLU A 75 -3.162 -12.537 6.044 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.313 -11.693 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.355 -10.916 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.404 -10.995 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.060 -9.143 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.741 -8.719 7.038 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.345 -13.380 8.079 1.00 0.00 N ATOM 1106 CA ASN A 76 -7.111 -14.621 8.062 1.00 0.00 C ATOM 1107 C ASN A 76 -8.290 -14.520 7.098 1.00 0.00 C ATOM 1108 O ASN A 76 -9.246 -15.289 7.187 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.615 -14.953 9.468 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.990 -13.713 10.256 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -7.243 -13.269 11.128 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -9.152 -13.147 9.951 1.00 0.00 N ATOM 0 H ASN A 76 -6.778 -12.624 8.610 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.453 -15.420 7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.482 -15.609 9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.844 -15.503 10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.457 -12.310 10.447 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.739 -13.550 9.221 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.213 -13.565 6.176 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.279 -13.380 5.209 1.00 0.00 C ATOM 1121 C GLY A 77 -8.977 -12.274 4.217 1.00 0.00 C ATOM 1122 O GLY A 77 -8.154 -12.444 3.318 1.00 0.00 O ATOM 0 H GLY A 77 -7.431 -12.916 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.442 -14.313 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.206 -13.150 5.734 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.645 -11.136 4.380 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.445 -9.998 3.492 1.00 0.00 C ATOM 1128 C VAL A 78 -8.768 -8.843 4.223 1.00 0.00 C ATOM 1129 O VAL A 78 -9.039 -8.594 5.398 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.779 -9.505 2.901 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.588 -8.176 2.186 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.361 -10.548 1.959 1.00 0.00 C ATOM 0 H VAL A 78 -10.330 -10.978 5.119 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.801 -10.339 2.681 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.484 -9.352 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.541 -7.844 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.218 -7.433 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.867 -8.298 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.303 -10.184 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.660 -10.734 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.537 -11.474 2.506 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.886 -8.141 3.519 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.170 -7.011 4.100 1.00 0.00 C ATOM 1144 C HIS A 79 -7.797 -5.689 3.666 1.00 0.00 C ATOM 1145 O HIS A 79 -8.531 -5.632 2.679 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.697 -7.049 3.693 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.074 -8.405 3.823 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.930 -8.640 4.555 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.444 -9.601 3.310 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.621 -9.923 4.486 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.525 -10.529 3.736 1.00 0.00 N ATOM 0 H HIS A 79 -7.650 -8.335 2.546 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.241 -7.087 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.605 -6.714 2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.140 -6.342 4.308 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.404 -7.934 5.070 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.302 -9.791 2.682 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.774 -10.396 4.961 1.00 0.00 H new ATOM 1159 N THR A 80 -7.502 -4.627 4.410 1.00 0.00 N ATOM 1160 CA THR A 80 -8.038 -3.307 4.103 1.00 0.00 C ATOM 1161 C THR A 80 -6.955 -2.238 4.199 1.00 0.00 C ATOM 1162 O THR A 80 -6.464 -1.936 5.287 1.00 0.00 O ATOM 1163 CB THR A 80 -9.195 -2.936 5.049 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.127 -4.020 5.131 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.908 -1.682 4.567 1.00 0.00 C ATOM 0 H THR A 80 -6.895 -4.656 5.229 1.00 0.00 H new ATOM 0 HA THR A 80 -8.414 -3.349 3.081 1.00 0.00 H new ATOM 0 HB THR A 80 -8.779 -2.740 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.859 -3.777 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.721 -1.440 5.251 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.202 -0.852 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.312 -1.854 3.569 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.588 -1.670 3.056 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.564 -0.633 3.013 1.00 0.00 C ATOM 1175 C ILE A 81 -6.174 0.751 3.209 1.00 0.00 C ATOM 1176 O ILE A 81 -7.241 1.052 2.672 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.793 -0.658 1.680 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.231 -2.056 1.417 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.676 0.374 1.695 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.868 -2.299 -0.031 1.00 0.00 C ATOM 0 H ILE A 81 -6.984 -1.910 2.147 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.871 -0.840 3.828 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.482 -0.407 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.346 -2.205 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.966 -2.799 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.140 0.344 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.100 1.367 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.986 0.151 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.476 -3.310 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.755 -2.183 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.110 -1.580 -0.342 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.490 1.589 3.979 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.963 2.943 4.244 1.00 0.00 C ATOM 1194 C ASP A 82 -4.999 3.977 3.670 1.00 0.00 C ATOM 1195 O ASP A 82 -3.869 4.116 4.140 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.131 3.163 5.748 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.711 4.525 6.073 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.298 5.515 5.433 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.579 4.601 6.967 1.00 0.00 O ATOM 0 H ASP A 82 -4.606 1.355 4.431 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.931 3.065 3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.781 2.388 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.163 3.057 6.238 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.453 4.701 2.652 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.631 5.722 2.014 1.00 0.00 C ATOM 1206 C VAL A 83 -5.201 7.116 2.254 1.00 0.00 C ATOM 1207 O VAL A 83 -6.222 7.489 1.676 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.514 5.482 0.497 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.659 6.560 -0.150 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.943 4.099 0.220 1.00 0.00 C ATOM 0 H VAL A 83 -6.386 4.599 2.252 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.640 5.655 2.462 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.511 5.533 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.588 6.374 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.114 7.536 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.661 6.545 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.867 3.946 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.953 4.017 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.599 3.342 0.649 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.535 7.882 3.111 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.973 9.236 3.428 1.00 0.00 C ATOM 1222 C LYS A 84 -4.054 10.270 2.786 1.00 0.00 C ATOM 1223 O LYS A 84 -2.836 10.095 2.751 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.008 9.441 4.945 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.216 8.810 5.616 1.00 0.00 C ATOM 1226 CD LYS A 84 -5.902 8.383 7.040 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.145 8.408 7.916 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.342 9.736 8.562 1.00 0.00 N ATOM 0 H LYS A 84 -3.689 7.588 3.599 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.977 9.369 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.101 9.022 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.001 10.510 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.043 9.520 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.543 7.945 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.479 7.378 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.145 9.045 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.019 8.164 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.063 7.639 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.199 9.712 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.519 9.958 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.445 10.467 7.829 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.645 11.347 2.280 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.878 12.409 1.639 1.00 0.00 C ATOM 1244 C PHE A 85 -4.457 13.779 1.980 1.00 0.00 C ATOM 1245 O PHE A 85 -5.505 14.168 1.464 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.863 12.212 0.122 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.847 13.065 -0.583 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -3.127 14.387 -0.890 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.613 12.545 -0.939 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -2.195 15.175 -1.539 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.677 13.329 -1.587 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.968 14.645 -1.888 1.00 0.00 C ATOM 0 H PHE A 85 -5.652 11.508 2.301 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.856 12.362 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.661 11.164 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.853 12.437 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.085 14.807 -0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.380 11.516 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.426 16.204 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.282 12.912 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.238 15.258 -2.395 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.768 14.506 2.853 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.214 15.833 3.264 1.00 0.00 C ATOM 1264 C ASN A 86 -5.510 15.747 4.064 1.00 0.00 C ATOM 1265 O ASN A 86 -6.368 16.624 3.972 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.415 16.728 2.040 1.00 0.00 C ATOM 1267 CG ASN A 86 -4.189 18.195 2.353 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -3.102 18.751 1.830 1.00 0.00 O flip ATOM 1269 ND2 ASN A 86 -4.983 18.820 3.056 1.00 0.00 N flip ATOM 0 H ASN A 86 -2.899 14.199 3.290 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.443 16.268 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.730 16.418 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.426 16.593 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.805 18.352 3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.819 19.806 3.258 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.645 14.683 4.849 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.839 14.502 5.655 1.00 0.00 C ATOM 1278 C GLY A 87 -8.050 14.133 4.821 1.00 0.00 C ATOM 1279 O GLY A 87 -9.107 14.752 4.941 1.00 0.00 O ATOM 0 H GLY A 87 -4.949 13.943 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.660 13.722 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.046 15.421 6.204 1.00 0.00 H new ATOM 1283 N SER A 88 -7.896 13.122 3.972 1.00 0.00 N ATOM 1284 CA SER A 88 -8.984 12.675 3.111 1.00 0.00 C ATOM 1285 C SER A 88 -8.585 11.422 2.336 1.00 0.00 C ATOM 1286 O SER A 88 -7.562 11.402 1.650 1.00 0.00 O ATOM 1287 CB SER A 88 -9.381 13.785 2.136 1.00 0.00 C ATOM 1288 OG SER A 88 -10.642 13.519 1.546 1.00 0.00 O ATOM 0 H SER A 88 -7.028 12.597 3.862 1.00 0.00 H new ATOM 0 HA SER A 88 -9.838 12.434 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.416 14.739 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.624 13.877 1.357 1.00 0.00 H new ATOM 0 HG SER A 88 -10.874 14.244 0.928 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.399 10.378 2.452 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.132 9.120 1.763 1.00 0.00 C ATOM 1296 C HIS A 89 -9.251 9.293 0.252 1.00 0.00 C ATOM 1297 O HIS A 89 -10.230 9.851 -0.244 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.098 8.036 2.242 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.733 7.455 3.573 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.693 6.098 3.816 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.387 8.054 4.737 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.342 5.888 5.072 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.150 7.059 5.653 1.00 0.00 N ATOM 0 H HIS A 89 -10.249 10.378 3.016 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.112 8.815 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.102 8.456 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.130 7.236 1.502 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.902 5.370 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.311 9.117 4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.231 4.923 5.544 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.248 8.810 -0.475 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.241 8.910 -1.930 1.00 0.00 C ATOM 1313 C VAL A 90 -9.471 8.241 -2.533 1.00 0.00 C ATOM 1314 O VAL A 90 -10.332 7.736 -1.813 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.976 8.270 -2.530 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.731 9.010 -2.065 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.899 6.796 -2.163 1.00 0.00 C ATOM 0 H VAL A 90 -7.430 8.346 -0.080 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.253 9.972 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.031 8.348 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.847 8.543 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.786 10.051 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.667 8.967 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.999 6.360 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.867 6.692 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.776 6.278 -2.552 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.547 8.241 -3.860 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.671 7.632 -4.562 1.00 0.00 C ATOM 1329 C VAL A 91 -10.564 6.111 -4.556 1.00 0.00 C ATOM 1330 O VAL A 91 -9.495 5.553 -4.800 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.756 8.124 -6.019 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.461 9.614 -6.098 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.802 7.336 -6.903 1.00 0.00 C ATOM 0 H VAL A 91 -8.843 8.656 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.575 7.932 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.771 7.960 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.526 9.943 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.188 10.161 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.458 9.807 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.875 7.697 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.781 7.467 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.065 6.279 -6.870 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.680 5.446 -4.274 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.691 3.995 -4.242 1.00 0.00 C ATOM 1345 C GLY A 92 -11.177 3.441 -2.928 1.00 0.00 C ATOM 1346 O GLY A 92 -10.867 2.254 -2.826 1.00 0.00 O ATOM 0 H GLY A 92 -12.577 5.886 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.707 3.638 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.079 3.612 -5.059 1.00 0.00 H new ATOM 1350 N SER A 93 -11.083 4.302 -1.920 1.00 0.00 N ATOM 1351 CA SER A 93 -10.597 3.893 -0.608 1.00 0.00 C ATOM 1352 C SER A 93 -11.739 3.842 0.403 1.00 0.00 C ATOM 1353 O SER A 93 -12.728 4.567 0.297 1.00 0.00 O ATOM 1354 CB SER A 93 -9.512 4.855 -0.120 1.00 0.00 C ATOM 1355 OG SER A 93 -9.465 4.895 1.296 1.00 0.00 O ATOM 0 H SER A 93 -11.337 5.288 -1.987 1.00 0.00 H new ATOM 0 HA SER A 93 -10.172 2.894 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.543 4.544 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.706 5.855 -0.509 1.00 0.00 H new ATOM 0 HG SER A 93 -8.763 5.516 1.583 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.600 2.964 1.408 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.427 2.096 1.543 1.00 0.00 C ATOM 1363 C PRO A 94 -10.376 1.019 0.465 1.00 0.00 C ATOM 1364 O PRO A 94 -11.363 0.772 -0.228 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.614 1.461 2.924 1.00 0.00 C ATOM 1366 CG PRO A 94 -12.083 1.504 3.165 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.578 2.752 2.488 1.00 0.00 C ATOM 0 HA PRO A 94 -9.495 2.650 1.435 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.240 0.438 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.071 2.014 3.691 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.571 0.619 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.303 1.526 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.587 2.624 2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.607 3.597 3.175 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.218 0.380 0.328 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.038 -0.671 -0.667 1.00 0.00 C ATOM 1377 C PHE A 95 -9.204 -2.051 -0.036 1.00 0.00 C ATOM 1378 O PHE A 95 -8.906 -2.248 1.142 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.657 -0.557 -1.316 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.544 0.583 -2.287 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.016 0.455 -3.583 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -6.966 1.783 -1.904 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -7.912 1.503 -4.480 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -6.860 2.834 -2.795 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.335 2.694 -4.085 1.00 0.00 C ATOM 0 H PHE A 95 -8.391 0.572 0.893 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.803 -0.547 -1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.906 -0.435 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.429 -1.489 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.470 -0.473 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.594 1.898 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.282 1.390 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.407 3.763 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.255 3.514 -4.783 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.682 -3.003 -0.830 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.887 -4.366 -0.353 1.00 0.00 C ATOM 1397 C LYS A 96 -9.147 -5.368 -1.233 1.00 0.00 C ATOM 1398 O LYS A 96 -9.301 -5.368 -2.455 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.381 -4.699 -0.326 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.037 -4.658 -1.695 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.546 -4.512 -1.586 1.00 0.00 C ATOM 1402 CE LYS A 96 -14.228 -5.864 -1.447 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.372 -6.551 -2.761 1.00 0.00 N ATOM 0 H LYS A 96 -9.935 -2.856 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.487 -4.434 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.516 -5.692 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.890 -3.995 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.631 -3.826 -2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.797 -5.570 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.791 -3.889 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.928 -4.000 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.651 -6.494 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.212 -5.730 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.841 -7.469 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.944 -5.962 -3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.432 -6.702 -3.179 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.346 -6.222 -0.605 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.584 -7.232 -1.331 1.00 0.00 C ATOM 1419 C VAL A 97 -7.689 -8.592 -0.651 1.00 0.00 C ATOM 1420 O VAL A 97 -7.762 -8.682 0.574 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.099 -6.840 -1.445 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.916 -5.734 -2.474 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.555 -6.413 -0.090 1.00 0.00 C ATOM 0 H VAL A 97 -8.207 -6.235 0.405 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.013 -7.295 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.536 -7.712 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.861 -5.470 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.266 -6.080 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.491 -4.858 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.505 -6.140 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.120 -5.556 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.650 -7.238 0.616 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.694 -9.650 -1.456 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.789 -11.008 -0.932 1.00 0.00 C ATOM 1435 C ARG A 98 -6.440 -11.717 -1.010 1.00 0.00 C ATOM 1436 O ARG A 98 -5.792 -11.728 -2.056 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.841 -11.803 -1.708 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.499 -12.902 -0.890 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.687 -13.506 -1.623 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.953 -14.878 -1.197 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.467 -15.193 -0.014 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -11.769 -14.240 0.857 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.680 -16.465 0.301 1.00 0.00 N ATOM 0 H ARG A 98 -7.633 -9.593 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.087 -10.947 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.610 -11.119 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.374 -12.246 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.769 -13.682 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.828 -12.497 0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.571 -12.894 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.497 -13.490 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.732 -15.635 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.607 -13.262 0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.164 -14.485 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.449 -17.201 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.075 -16.706 1.210 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.024 -12.307 0.106 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.752 -13.019 0.165 1.00 0.00 C ATOM 1459 C VAL A 99 -4.901 -14.451 -0.336 1.00 0.00 C ATOM 1460 O VAL A 99 -5.824 -15.164 0.054 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.189 -13.044 1.598 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.928 -14.069 2.445 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.696 -13.334 1.578 1.00 0.00 C ATOM 0 H VAL A 99 -6.548 -12.306 0.981 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.058 -12.481 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.340 -12.062 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.516 -14.072 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.986 -13.812 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.812 -15.058 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.314 -13.348 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.520 -14.303 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.182 -12.559 1.009 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.983 -14.867 -1.205 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.029 -16.213 -1.745 1.00 0.00 C ATOM 1475 C GLY A 100 -3.290 -16.334 -3.063 1.00 0.00 C ATOM 1476 O GLY A 100 -2.257 -15.696 -3.263 1.00 0.00 O ATOM 0 H GLY A 100 -3.209 -14.296 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.595 -16.906 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.068 -16.509 -1.886 1.00 0.00 H new ATOM 1480 N GLU A 101 -3.819 -17.156 -3.964 1.00 0.00 N ATOM 1481 CA GLU A 101 -3.200 -17.360 -5.268 1.00 0.00 C ATOM 1482 C GLU A 101 -4.152 -16.956 -6.391 1.00 0.00 C ATOM 1483 O GLU A 101 -5.361 -17.176 -6.323 1.00 0.00 O ATOM 1484 CB GLU A 101 -2.786 -18.823 -5.438 1.00 0.00 C ATOM 1485 CG GLU A 101 -3.780 -19.809 -4.848 1.00 0.00 C ATOM 1486 CD GLU A 101 -3.225 -21.218 -4.766 1.00 0.00 C ATOM 1487 OE1 GLU A 101 -2.724 -21.718 -5.795 1.00 0.00 O ATOM 1488 OE2 GLU A 101 -3.292 -21.820 -3.675 1.00 0.00 O ATOM 0 H GLU A 101 -4.674 -17.691 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.312 -16.730 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.663 -19.036 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.814 -18.974 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.067 -19.477 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.685 -19.814 -5.455 1.00 0.00 H new ATOM 1495 N PRO A 102 -3.593 -16.350 -7.449 1.00 0.00 N ATOM 1496 CA PRO A 102 -4.373 -15.902 -8.607 1.00 0.00 C ATOM 1497 C PRO A 102 -4.907 -17.068 -9.433 1.00 0.00 C ATOM 1498 O PRO A 102 -6.095 -17.126 -9.746 1.00 0.00 O ATOM 1499 CB PRO A 102 -3.364 -15.088 -9.421 1.00 0.00 C ATOM 1500 CG PRO A 102 -2.035 -15.641 -9.038 1.00 0.00 C ATOM 1501 CD PRO A 102 -2.158 -16.055 -7.597 1.00 0.00 C ATOM 0 HA PRO A 102 -5.256 -15.337 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.543 -15.192 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.433 -14.025 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.770 -16.491 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.251 -14.895 -9.164 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.543 -16.927 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.839 -15.261 -6.922 1.00 0.00 H new ATOM 1509 N GLY A 103 -4.020 -17.995 -9.781 1.00 0.00 N ATOM 1510 CA GLY A 103 -4.422 -19.147 -10.567 1.00 0.00 C ATOM 1511 C GLY A 103 -3.244 -20.010 -10.975 1.00 0.00 C ATOM 1512 O GLY A 103 -3.341 -21.237 -10.989 1.00 0.00 O ATOM 0 H GLY A 103 -3.031 -17.969 -9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.126 -19.748 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.947 -18.808 -11.460 1.00 0.00 H new ATOM 1516 N GLN A 104 -2.129 -19.368 -11.308 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.929 -20.086 -11.720 1.00 0.00 C ATOM 1518 C GLN A 104 0.254 -19.133 -11.859 1.00 0.00 C ATOM 1519 O GLN A 104 0.275 -18.277 -12.743 1.00 0.00 O ATOM 1520 CB GLN A 104 -1.172 -20.811 -13.045 1.00 0.00 C ATOM 1521 CG GLN A 104 -0.103 -21.837 -13.382 1.00 0.00 C ATOM 1522 CD GLN A 104 0.359 -22.620 -12.169 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.412 -23.370 -11.570 1.00 0.00 O ATOM 1524 NE2 GLN A 104 1.623 -22.449 -11.800 1.00 0.00 N ATOM 0 H GLN A 104 -2.032 -18.353 -11.301 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.693 -20.820 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.141 -21.308 -13.005 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.224 -20.076 -13.848 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.492 -22.529 -14.129 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.752 -21.331 -13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.227 -21.817 -12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.990 -22.950 -10.991 1.00 0.00 H new ATOM 1533 N ALA A 105 1.238 -19.288 -10.979 1.00 0.00 N ATOM 1534 CA ALA A 105 2.426 -18.443 -11.004 1.00 0.00 C ATOM 1535 C ALA A 105 3.668 -19.229 -10.598 1.00 0.00 C ATOM 1536 O ALA A 105 3.572 -20.257 -9.929 1.00 0.00 O ATOM 1537 CB ALA A 105 2.237 -17.241 -10.091 1.00 0.00 C ATOM 0 H ALA A 105 1.236 -19.991 -10.240 1.00 0.00 H new ATOM 0 HA ALA A 105 2.570 -18.091 -12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.131 -16.619 -10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.379 -16.659 -10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.065 -17.583 -9.070 1.00 0.00 H new ATOM 1543 N GLY A 106 4.834 -18.738 -11.007 1.00 0.00 N ATOM 1544 CA GLY A 106 6.078 -19.408 -10.676 1.00 0.00 C ATOM 1545 C GLY A 106 6.473 -19.214 -9.226 1.00 0.00 C ATOM 1546 O GLY A 106 7.528 -18.652 -8.933 1.00 0.00 O ATOM 0 H GLY A 106 4.939 -17.888 -11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.979 -20.474 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.873 -19.031 -11.319 1.00 0.00 H new TER 1550 GLY A 106