USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 645 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 68 TYR OH : rot -12:sc= 1.33 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -1.31! C(o=0.017!,f=-6.1!) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -172:sc= 0.765 (180deg=0.551) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.137 USER MOD Set 2.3: A 48 LYS NZ :NH3+ 143:sc= 0.149 (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= -0.129 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -101:sc= 0.151 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.146) USER MOD Single : A 18 SER OG : rot -52:sc=0.000188 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-9.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.355 K(o=-0.35,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.0532 (180deg=-0.363) USER MOD Single : A 42 SER OG : rot -149:sc= 0.257 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 158:sc= 0.24 USER MOD Single : A 60 SER OG : rot -49:sc= -0.129 USER MOD Single : A 63 ASN : amide:sc= -0.806 K(o=-0.81,f=-1.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -112:sc= 1.06 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.173 13.922 -12.237 1.00 0.00 N ATOM 2 CA GLY A 1 17.946 13.567 -11.549 1.00 0.00 C ATOM 3 C GLY A 1 17.369 12.252 -12.033 1.00 0.00 C ATOM 4 O GLY A 1 17.852 11.181 -11.664 1.00 0.00 O ATOM 0 H1 GLY A 1 19.527 14.828 -11.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.886 13.182 -12.079 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.986 14.010 -13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.139 13.503 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.210 14.358 -11.694 1.00 0.00 H new ATOM 8 N SER A 2 16.332 12.330 -12.860 1.00 0.00 N ATOM 9 CA SER A 2 15.685 11.136 -13.391 1.00 0.00 C ATOM 10 C SER A 2 15.330 10.166 -12.268 1.00 0.00 C ATOM 11 O SER A 2 15.552 8.960 -12.382 1.00 0.00 O ATOM 12 CB SER A 2 16.596 10.447 -14.408 1.00 0.00 C ATOM 13 OG SER A 2 16.572 11.122 -15.654 1.00 0.00 O ATOM 0 H SER A 2 15.921 13.208 -13.177 1.00 0.00 H new ATOM 0 HA SER A 2 14.764 11.441 -13.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.616 10.418 -14.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.278 9.414 -14.545 1.00 0.00 H new ATOM 0 HG SER A 2 17.164 10.663 -16.286 1.00 0.00 H new ATOM 19 N SER A 3 14.779 10.701 -11.184 1.00 0.00 N ATOM 20 CA SER A 3 14.397 9.884 -10.038 1.00 0.00 C ATOM 21 C SER A 3 12.894 9.625 -10.033 1.00 0.00 C ATOM 22 O SER A 3 12.134 10.296 -10.729 1.00 0.00 O ATOM 23 CB SER A 3 14.812 10.570 -8.735 1.00 0.00 C ATOM 24 OG SER A 3 14.475 9.776 -7.611 1.00 0.00 O ATOM 0 H SER A 3 14.587 11.697 -11.075 1.00 0.00 H new ATOM 0 HA SER A 3 14.913 8.927 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.886 10.756 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.321 11.540 -8.659 1.00 0.00 H new ATOM 0 HG SER A 3 14.752 10.236 -6.791 1.00 0.00 H new ATOM 30 N GLY A 4 12.472 8.644 -9.241 1.00 0.00 N ATOM 31 CA GLY A 4 11.061 8.311 -9.159 1.00 0.00 C ATOM 32 C GLY A 4 10.217 9.479 -8.690 1.00 0.00 C ATOM 33 O GLY A 4 10.731 10.574 -8.463 1.00 0.00 O ATOM 0 H GLY A 4 13.082 8.074 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.711 7.983 -10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.928 7.473 -8.475 1.00 0.00 H new ATOM 37 N SER A 5 8.916 9.246 -8.545 1.00 0.00 N ATOM 38 CA SER A 5 7.997 10.289 -8.105 1.00 0.00 C ATOM 39 C SER A 5 6.993 9.739 -7.097 1.00 0.00 C ATOM 40 O SER A 5 6.968 8.540 -6.820 1.00 0.00 O ATOM 41 CB SER A 5 7.257 10.886 -9.305 1.00 0.00 C ATOM 42 OG SER A 5 8.047 11.867 -9.954 1.00 0.00 O ATOM 0 H SER A 5 8.475 8.344 -8.726 1.00 0.00 H new ATOM 0 HA SER A 5 8.580 11.072 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.003 10.095 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.319 11.331 -8.973 1.00 0.00 H new ATOM 0 HG SER A 5 7.553 12.232 -10.718 1.00 0.00 H new ATOM 48 N SER A 6 6.167 10.625 -6.550 1.00 0.00 N ATOM 49 CA SER A 6 5.163 10.231 -5.569 1.00 0.00 C ATOM 50 C SER A 6 3.904 11.082 -5.707 1.00 0.00 C ATOM 51 O SER A 6 3.929 12.154 -6.310 1.00 0.00 O ATOM 52 CB SER A 6 5.726 10.358 -4.152 1.00 0.00 C ATOM 53 OG SER A 6 6.827 9.487 -3.961 1.00 0.00 O ATOM 0 H SER A 6 6.173 11.621 -6.770 1.00 0.00 H new ATOM 0 HA SER A 6 4.898 9.190 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.037 11.387 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.946 10.129 -3.426 1.00 0.00 H new ATOM 0 HG SER A 6 7.170 9.588 -3.048 1.00 0.00 H new ATOM 59 N GLY A 7 2.804 10.596 -5.141 1.00 0.00 N ATOM 60 CA GLY A 7 1.550 11.323 -5.212 1.00 0.00 C ATOM 61 C GLY A 7 0.351 10.443 -4.918 1.00 0.00 C ATOM 62 O GLY A 7 -0.104 10.363 -3.777 1.00 0.00 O ATOM 0 H GLY A 7 2.759 9.712 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.572 12.150 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.442 11.759 -6.205 1.00 0.00 H new ATOM 66 N SER A 8 -0.163 9.782 -5.950 1.00 0.00 N ATOM 67 CA SER A 8 -1.320 8.907 -5.797 1.00 0.00 C ATOM 68 C SER A 8 -0.932 7.611 -5.092 1.00 0.00 C ATOM 69 O SER A 8 0.136 7.051 -5.341 1.00 0.00 O ATOM 70 CB SER A 8 -1.932 8.594 -7.164 1.00 0.00 C ATOM 71 OG SER A 8 -0.999 7.934 -8.001 1.00 0.00 O ATOM 0 H SER A 8 0.203 9.835 -6.901 1.00 0.00 H new ATOM 0 HA SER A 8 -2.059 9.425 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.816 7.969 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.261 9.518 -7.639 1.00 0.00 H new ATOM 0 HG SER A 8 -1.415 7.743 -8.868 1.00 0.00 H new ATOM 77 N TYR A 9 -1.807 7.141 -4.210 1.00 0.00 N ATOM 78 CA TYR A 9 -1.556 5.912 -3.465 1.00 0.00 C ATOM 79 C TYR A 9 -0.938 4.846 -4.365 1.00 0.00 C ATOM 80 O TYR A 9 0.177 4.384 -4.124 1.00 0.00 O ATOM 81 CB TYR A 9 -2.856 5.388 -2.853 1.00 0.00 C ATOM 82 CG TYR A 9 -3.586 6.412 -2.013 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.887 7.371 -1.290 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.973 6.419 -1.941 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.549 8.308 -0.520 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.644 7.353 -1.175 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.927 8.295 -0.466 1.00 0.00 C ATOM 88 OH TYR A 9 -5.591 9.226 0.299 1.00 0.00 O ATOM 0 H TYR A 9 -2.696 7.592 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.851 6.139 -2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.515 5.051 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.632 4.517 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.808 7.384 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.537 5.682 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.991 9.046 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.723 7.346 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.557 9.079 0.227 1.00 0.00 H new ATOM 98 N TYR A 10 -1.672 4.461 -5.404 1.00 0.00 N ATOM 99 CA TYR A 10 -1.198 3.449 -6.340 1.00 0.00 C ATOM 100 C TYR A 10 0.296 3.608 -6.605 1.00 0.00 C ATOM 101 O TYR A 10 1.017 2.624 -6.769 1.00 0.00 O ATOM 102 CB TYR A 10 -1.974 3.538 -7.655 1.00 0.00 C ATOM 103 CG TYR A 10 -3.463 3.326 -7.496 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.959 2.210 -6.834 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.373 4.244 -8.006 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.318 2.013 -6.687 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.734 4.055 -7.862 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.202 2.938 -7.202 1.00 0.00 C ATOM 109 OH TYR A 10 -7.556 2.746 -7.056 1.00 0.00 O ATOM 0 H TYR A 10 -2.597 4.834 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.366 2.469 -5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.801 4.516 -8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.582 2.795 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.270 1.484 -6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.010 5.120 -8.524 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.687 1.139 -6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.428 4.778 -8.264 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.929 2.398 -7.893 1.00 0.00 H new ATOM 119 N ASP A 11 0.752 4.855 -6.647 1.00 0.00 N ATOM 120 CA ASP A 11 2.160 5.146 -6.891 1.00 0.00 C ATOM 121 C ASP A 11 2.997 4.865 -5.646 1.00 0.00 C ATOM 122 O ASP A 11 4.019 4.182 -5.715 1.00 0.00 O ATOM 123 CB ASP A 11 2.335 6.603 -7.320 1.00 0.00 C ATOM 124 CG ASP A 11 3.548 6.804 -8.208 1.00 0.00 C ATOM 125 OD1 ASP A 11 4.001 5.817 -8.825 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.043 7.947 -8.285 1.00 0.00 O ATOM 0 H ASP A 11 0.167 5.680 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 11 2.506 4.495 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.442 6.932 -7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.429 7.231 -6.434 1.00 0.00 H new ATOM 131 N ILE A 12 2.556 5.397 -4.511 1.00 0.00 N ATOM 132 CA ILE A 12 3.264 5.204 -3.252 1.00 0.00 C ATOM 133 C ILE A 12 3.414 3.721 -2.927 1.00 0.00 C ATOM 134 O ILE A 12 4.468 3.278 -2.470 1.00 0.00 O ATOM 135 CB ILE A 12 2.540 5.902 -2.086 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.403 7.400 -2.366 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.288 5.669 -0.782 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.554 8.130 -1.349 1.00 0.00 C ATOM 0 H ILE A 12 1.712 5.965 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 12 4.252 5.649 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 12 1.541 5.476 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.396 7.849 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.969 7.538 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.764 6.169 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.340 4.599 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.298 6.072 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.501 9.187 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.550 7.707 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.999 8.023 -0.360 1.00 0.00 H new ATOM 150 N LEU A 13 2.353 2.959 -3.168 1.00 0.00 N ATOM 151 CA LEU A 13 2.366 1.524 -2.903 1.00 0.00 C ATOM 152 C LEU A 13 3.033 0.766 -4.046 1.00 0.00 C ATOM 153 O LEU A 13 3.827 -0.146 -3.820 1.00 0.00 O ATOM 154 CB LEU A 13 0.939 1.010 -2.699 1.00 0.00 C ATOM 155 CG LEU A 13 0.197 1.560 -1.480 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.267 1.147 -1.517 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.855 1.082 -0.194 1.00 0.00 C ATOM 0 H LEU A 13 1.473 3.310 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 13 2.941 1.352 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.358 1.246 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.973 -0.077 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 13 0.248 2.648 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.780 1.547 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.733 1.539 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.338 0.059 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.314 1.483 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.835 -0.007 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.888 1.427 -0.164 1.00 0.00 H new ATOM 169 N GLY A 14 2.706 1.151 -5.276 1.00 0.00 N ATOM 170 CA GLY A 14 3.284 0.498 -6.436 1.00 0.00 C ATOM 171 C GLY A 14 2.345 -0.516 -7.059 1.00 0.00 C ATOM 172 O GLY A 14 2.783 -1.546 -7.571 1.00 0.00 O ATOM 0 H GLY A 14 2.051 1.903 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.546 1.251 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.210 0.001 -6.146 1.00 0.00 H new ATOM 176 N VAL A 15 1.048 -0.226 -7.013 1.00 0.00 N ATOM 177 CA VAL A 15 0.044 -1.121 -7.576 1.00 0.00 C ATOM 178 C VAL A 15 -0.712 -0.450 -8.717 1.00 0.00 C ATOM 179 O VAL A 15 -0.823 0.774 -8.786 1.00 0.00 O ATOM 180 CB VAL A 15 -0.964 -1.578 -6.505 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.344 -2.636 -5.605 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.449 -0.390 -5.689 1.00 0.00 C ATOM 0 H VAL A 15 0.668 0.622 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 15 0.575 -1.992 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.825 -2.021 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.071 -2.947 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.051 -3.498 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.535 -2.223 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.161 -0.731 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.600 0.084 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.935 0.330 -6.348 1.00 0.00 H new ATOM 192 N PRO A 16 -1.246 -1.269 -9.635 1.00 0.00 N ATOM 193 CA PRO A 16 -2.003 -0.777 -10.790 1.00 0.00 C ATOM 194 C PRO A 16 -3.351 -0.185 -10.391 1.00 0.00 C ATOM 195 O PRO A 16 -3.880 -0.486 -9.321 1.00 0.00 O ATOM 196 CB PRO A 16 -2.202 -2.032 -11.645 1.00 0.00 C ATOM 197 CG PRO A 16 -2.129 -3.163 -10.678 1.00 0.00 C ATOM 198 CD PRO A 16 -1.154 -2.739 -9.616 1.00 0.00 C ATOM 0 HA PRO A 16 -1.481 0.029 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.163 -2.012 -12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.431 -2.116 -12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.108 -3.372 -10.247 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.796 -4.077 -11.171 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.421 -3.146 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.143 -3.081 -9.839 1.00 0.00 H new ATOM 206 N LYS A 17 -3.902 0.657 -11.259 1.00 0.00 N ATOM 207 CA LYS A 17 -5.189 1.290 -10.998 1.00 0.00 C ATOM 208 C LYS A 17 -6.284 0.244 -10.820 1.00 0.00 C ATOM 209 O LYS A 17 -7.285 0.488 -10.146 1.00 0.00 O ATOM 210 CB LYS A 17 -5.556 2.237 -12.143 1.00 0.00 C ATOM 211 CG LYS A 17 -4.483 3.269 -12.446 1.00 0.00 C ATOM 212 CD LYS A 17 -4.197 4.147 -11.239 1.00 0.00 C ATOM 213 CE LYS A 17 -2.979 5.029 -11.468 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.709 4.310 -11.168 1.00 0.00 N ATOM 0 H LYS A 17 -3.477 0.917 -12.149 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.103 1.862 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.748 1.650 -13.041 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.484 2.752 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.568 2.764 -12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.801 3.891 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.065 4.771 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.034 3.520 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.967 5.370 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.051 5.917 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.961 5.001 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.849 3.686 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.429 3.741 -11.992 1.00 0.00 H new ATOM 228 N SER A 18 -6.087 -0.922 -11.426 1.00 0.00 N ATOM 229 CA SER A 18 -7.059 -2.005 -11.336 1.00 0.00 C ATOM 230 C SER A 18 -6.535 -3.134 -10.453 1.00 0.00 C ATOM 231 O SER A 18 -7.027 -4.260 -10.509 1.00 0.00 O ATOM 232 CB SER A 18 -7.385 -2.544 -12.730 1.00 0.00 C ATOM 233 OG SER A 18 -8.686 -3.104 -12.769 1.00 0.00 O ATOM 0 H SER A 18 -5.262 -1.141 -11.985 1.00 0.00 H new ATOM 0 HA SER A 18 -7.968 -1.606 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.310 -1.739 -13.461 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.652 -3.300 -13.012 1.00 0.00 H new ATOM 0 HG SER A 18 -8.781 -3.760 -12.047 1.00 0.00 H new ATOM 239 N ALA A 19 -5.532 -2.822 -9.638 1.00 0.00 N ATOM 240 CA ALA A 19 -4.941 -3.808 -8.742 1.00 0.00 C ATOM 241 C ALA A 19 -6.008 -4.476 -7.881 1.00 0.00 C ATOM 242 O ALA A 19 -6.907 -3.812 -7.364 1.00 0.00 O ATOM 243 CB ALA A 19 -3.884 -3.156 -7.863 1.00 0.00 C ATOM 0 H ALA A 19 -5.112 -1.894 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.467 -4.578 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.451 -3.904 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.101 -2.731 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.342 -2.365 -7.269 1.00 0.00 H new ATOM 249 N SER A 20 -5.903 -5.792 -7.731 1.00 0.00 N ATOM 250 CA SER A 20 -6.862 -6.551 -6.937 1.00 0.00 C ATOM 251 C SER A 20 -6.561 -6.414 -5.447 1.00 0.00 C ATOM 252 O SER A 20 -5.412 -6.227 -5.050 1.00 0.00 O ATOM 253 CB SER A 20 -6.836 -8.026 -7.340 1.00 0.00 C ATOM 254 OG SER A 20 -7.326 -8.203 -8.658 1.00 0.00 O ATOM 0 H SER A 20 -5.163 -6.355 -8.149 1.00 0.00 H new ATOM 0 HA SER A 20 -7.856 -6.147 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.817 -8.407 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.440 -8.607 -6.643 1.00 0.00 H new ATOM 0 HG SER A 20 -7.298 -9.154 -8.893 1.00 0.00 H new ATOM 260 N GLU A 21 -7.605 -6.508 -4.629 1.00 0.00 N ATOM 261 CA GLU A 21 -7.453 -6.394 -3.183 1.00 0.00 C ATOM 262 C GLU A 21 -6.203 -7.128 -2.707 1.00 0.00 C ATOM 263 O GLU A 21 -5.527 -6.687 -1.778 1.00 0.00 O ATOM 264 CB GLU A 21 -8.688 -6.952 -2.472 1.00 0.00 C ATOM 265 CG GLU A 21 -8.503 -7.122 -0.974 1.00 0.00 C ATOM 266 CD GLU A 21 -9.505 -8.085 -0.368 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.716 -7.784 -0.403 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.077 -9.142 0.142 1.00 0.00 O ATOM 0 H GLU A 21 -8.563 -6.662 -4.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.348 -5.337 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.532 -6.286 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.944 -7.917 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.493 -7.481 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.598 -6.151 -0.488 1.00 0.00 H new ATOM 275 N ARG A 22 -5.903 -8.252 -3.351 1.00 0.00 N ATOM 276 CA ARG A 22 -4.736 -9.049 -2.993 1.00 0.00 C ATOM 277 C ARG A 22 -3.451 -8.368 -3.454 1.00 0.00 C ATOM 278 O ARG A 22 -2.427 -8.431 -2.774 1.00 0.00 O ATOM 279 CB ARG A 22 -4.837 -10.445 -3.611 1.00 0.00 C ATOM 280 CG ARG A 22 -3.507 -11.179 -3.677 1.00 0.00 C ATOM 281 CD ARG A 22 -3.647 -12.523 -4.373 1.00 0.00 C ATOM 282 NE ARG A 22 -4.260 -13.527 -3.507 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.573 -13.678 -3.373 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.406 -12.895 -4.045 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.055 -14.614 -2.566 1.00 0.00 N ATOM 0 H ARG A 22 -6.452 -8.631 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.708 -9.141 -1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.542 -11.040 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.245 -10.359 -4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.778 -10.567 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.122 -11.329 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.250 -12.404 -5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.664 -12.870 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.647 -14.146 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.039 -12.174 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.414 -13.013 -3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.417 -15.218 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.063 -14.729 -2.464 1.00 0.00 H new ATOM 299 N GLN A 23 -3.513 -7.720 -4.612 1.00 0.00 N ATOM 300 CA GLN A 23 -2.354 -7.029 -5.164 1.00 0.00 C ATOM 301 C GLN A 23 -1.997 -5.807 -4.323 1.00 0.00 C ATOM 302 O GLN A 23 -0.822 -5.477 -4.158 1.00 0.00 O ATOM 303 CB GLN A 23 -2.625 -6.607 -6.609 1.00 0.00 C ATOM 304 CG GLN A 23 -2.858 -7.777 -7.551 1.00 0.00 C ATOM 305 CD GLN A 23 -2.847 -7.364 -9.009 1.00 0.00 C ATOM 306 OE1 GLN A 23 -2.526 -6.222 -9.340 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.200 -8.292 -9.891 1.00 0.00 N ATOM 0 H GLN A 23 -4.354 -7.659 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.510 -7.718 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.498 -5.955 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.780 -6.021 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.088 -8.531 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.815 -8.242 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.459 -9.226 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.212 -8.071 -10.887 1.00 0.00 H new ATOM 316 N ILE A 24 -3.018 -5.140 -3.796 1.00 0.00 N ATOM 317 CA ILE A 24 -2.811 -3.955 -2.972 1.00 0.00 C ATOM 318 C ILE A 24 -2.164 -4.318 -1.640 1.00 0.00 C ATOM 319 O ILE A 24 -1.088 -3.822 -1.303 1.00 0.00 O ATOM 320 CB ILE A 24 -4.137 -3.219 -2.702 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.725 -2.687 -4.010 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.920 -2.085 -1.712 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.236 -2.610 -4.006 1.00 0.00 C ATOM 0 H ILE A 24 -3.996 -5.399 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.145 -3.296 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.846 -3.924 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.319 -1.694 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.404 -3.329 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.866 -1.574 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.540 -2.489 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.198 -1.378 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.583 -2.224 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.651 -3.605 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.564 -1.945 -3.207 1.00 0.00 H new ATOM 335 N LYS A 25 -2.825 -5.189 -0.885 1.00 0.00 N ATOM 336 CA LYS A 25 -2.314 -5.622 0.410 1.00 0.00 C ATOM 337 C LYS A 25 -0.960 -6.309 0.259 1.00 0.00 C ATOM 338 O LYS A 25 -0.111 -6.234 1.147 1.00 0.00 O ATOM 339 CB LYS A 25 -3.308 -6.573 1.081 1.00 0.00 C ATOM 340 CG LYS A 25 -3.571 -7.840 0.285 1.00 0.00 C ATOM 341 CD LYS A 25 -4.851 -8.524 0.733 1.00 0.00 C ATOM 342 CE LYS A 25 -4.778 -8.946 2.192 1.00 0.00 C ATOM 343 NZ LYS A 25 -5.981 -9.718 2.608 1.00 0.00 N ATOM 0 H LYS A 25 -3.716 -5.609 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.186 -4.739 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.929 -6.845 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.251 -6.049 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.639 -7.597 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.731 -8.525 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.694 -7.848 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.035 -9.399 0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.886 -9.551 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.679 -8.061 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.892 -9.987 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.831 -9.132 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.062 -10.576 2.025 1.00 0.00 H new ATOM 357 N LYS A 26 -0.764 -6.977 -0.873 1.00 0.00 N ATOM 358 CA LYS A 26 0.487 -7.675 -1.143 1.00 0.00 C ATOM 359 C LYS A 26 1.630 -6.685 -1.344 1.00 0.00 C ATOM 360 O LYS A 26 2.674 -6.789 -0.701 1.00 0.00 O ATOM 361 CB LYS A 26 0.343 -8.563 -2.381 1.00 0.00 C ATOM 362 CG LYS A 26 -0.356 -9.883 -2.106 1.00 0.00 C ATOM 363 CD LYS A 26 0.618 -10.936 -1.606 1.00 0.00 C ATOM 364 CE LYS A 26 -0.098 -12.039 -0.842 1.00 0.00 C ATOM 365 NZ LYS A 26 0.853 -12.884 -0.067 1.00 0.00 N ATOM 0 H LYS A 26 -1.456 -7.050 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 26 0.719 -8.300 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.213 -8.019 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.333 -8.764 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.142 -9.732 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.839 -10.236 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.155 -11.367 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.361 -10.468 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.827 -11.596 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.653 -12.664 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.326 -13.624 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.533 -13.327 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.364 -12.292 0.618 1.00 0.00 H new ATOM 379 N ALA A 27 1.424 -5.724 -2.238 1.00 0.00 N ATOM 380 CA ALA A 27 2.436 -4.714 -2.521 1.00 0.00 C ATOM 381 C ALA A 27 2.734 -3.874 -1.283 1.00 0.00 C ATOM 382 O ALA A 27 3.881 -3.502 -1.034 1.00 0.00 O ATOM 383 CB ALA A 27 1.986 -3.823 -3.669 1.00 0.00 C ATOM 0 H ALA A 27 0.565 -5.624 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 27 3.354 -5.226 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.751 -3.073 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.830 -4.430 -4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.054 -3.327 -3.400 1.00 0.00 H new ATOM 389 N PHE A 28 1.694 -3.579 -0.510 1.00 0.00 N ATOM 390 CA PHE A 28 1.844 -2.781 0.701 1.00 0.00 C ATOM 391 C PHE A 28 2.559 -3.576 1.790 1.00 0.00 C ATOM 392 O PHE A 28 3.559 -3.124 2.350 1.00 0.00 O ATOM 393 CB PHE A 28 0.476 -2.319 1.207 1.00 0.00 C ATOM 394 CG PHE A 28 0.532 -1.616 2.533 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.637 -0.856 2.882 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.519 -1.716 3.430 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.692 -0.207 4.101 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.469 -1.069 4.650 1.00 0.00 C ATOM 399 CZ PHE A 28 0.638 -0.315 4.987 1.00 0.00 C ATOM 0 H PHE A 28 0.738 -3.881 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 28 2.447 -1.906 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.032 -1.651 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.182 -3.184 1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.465 -0.770 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.386 -2.306 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.558 0.384 4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.296 -1.153 5.340 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.679 0.189 5.941 1.00 0.00 H new ATOM 409 N HIS A 29 2.039 -4.763 2.087 1.00 0.00 N ATOM 410 CA HIS A 29 2.627 -5.621 3.109 1.00 0.00 C ATOM 411 C HIS A 29 4.151 -5.596 3.029 1.00 0.00 C ATOM 412 O HIS A 29 4.826 -5.189 3.975 1.00 0.00 O ATOM 413 CB HIS A 29 2.121 -7.056 2.953 1.00 0.00 C ATOM 414 CG HIS A 29 0.873 -7.338 3.731 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.686 -8.492 4.462 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.255 -6.607 3.890 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.503 -8.460 5.036 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.094 -7.326 4.706 1.00 0.00 N ATOM 0 H HIS A 29 1.212 -5.152 1.634 1.00 0.00 H new ATOM 0 HA HIS A 29 2.325 -5.241 4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.934 -7.254 1.898 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.903 -7.745 3.273 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.458 -5.639 3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.921 -9.230 5.668 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.023 -7.032 5.008 1.00 0.00 H new ATOM 426 N LYS A 30 4.686 -6.033 1.894 1.00 0.00 N ATOM 427 CA LYS A 30 6.130 -6.060 1.690 1.00 0.00 C ATOM 428 C LYS A 30 6.747 -4.696 1.983 1.00 0.00 C ATOM 429 O LYS A 30 7.751 -4.597 2.690 1.00 0.00 O ATOM 430 CB LYS A 30 6.454 -6.481 0.255 1.00 0.00 C ATOM 431 CG LYS A 30 5.791 -5.611 -0.799 1.00 0.00 C ATOM 432 CD LYS A 30 6.162 -6.056 -2.204 1.00 0.00 C ATOM 433 CE LYS A 30 5.305 -7.225 -2.663 1.00 0.00 C ATOM 434 NZ LYS A 30 5.534 -7.552 -4.097 1.00 0.00 N ATOM 0 H LYS A 30 4.142 -6.373 1.101 1.00 0.00 H new ATOM 0 HA LYS A 30 6.556 -6.787 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.534 -6.451 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.142 -7.515 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.709 -5.652 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.089 -4.572 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.041 -5.222 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.213 -6.342 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.526 -8.100 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.253 -6.986 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.931 -8.354 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.298 -6.726 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.533 -7.805 -4.240 1.00 0.00 H new ATOM 448 N LEU A 31 6.140 -3.648 1.438 1.00 0.00 N ATOM 449 CA LEU A 31 6.629 -2.289 1.642 1.00 0.00 C ATOM 450 C LEU A 31 6.734 -1.966 3.129 1.00 0.00 C ATOM 451 O LEU A 31 7.826 -1.745 3.651 1.00 0.00 O ATOM 452 CB LEU A 31 5.703 -1.284 0.955 1.00 0.00 C ATOM 453 CG LEU A 31 5.790 -1.225 -0.571 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.672 -0.365 -1.137 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.148 -0.694 -1.007 1.00 0.00 C ATOM 0 H LEU A 31 5.308 -3.713 0.851 1.00 0.00 H new ATOM 0 HA LEU A 31 7.624 -2.217 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.675 -1.519 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.920 -0.292 1.350 1.00 0.00 H new ATOM 0 HG LEU A 31 5.675 -2.236 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.751 -0.335 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.708 -0.789 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.754 0.647 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.192 -0.659 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.293 0.309 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.933 -1.351 -0.633 1.00 0.00 H new ATOM 467 N ALA A 32 5.591 -1.942 3.807 1.00 0.00 N ATOM 468 CA ALA A 32 5.555 -1.651 5.234 1.00 0.00 C ATOM 469 C ALA A 32 6.791 -2.200 5.938 1.00 0.00 C ATOM 470 O ALA A 32 7.334 -1.567 6.843 1.00 0.00 O ATOM 471 CB ALA A 32 4.291 -2.225 5.858 1.00 0.00 C ATOM 0 H ALA A 32 4.677 -2.121 3.390 1.00 0.00 H new ATOM 0 HA ALA A 32 5.549 -0.568 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.277 -2.000 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.416 -1.781 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.273 -3.305 5.715 1.00 0.00 H new ATOM 477 N MET A 33 7.231 -3.381 5.517 1.00 0.00 N ATOM 478 CA MET A 33 8.404 -4.015 6.107 1.00 0.00 C ATOM 479 C MET A 33 9.665 -3.210 5.807 1.00 0.00 C ATOM 480 O MET A 33 10.451 -2.910 6.705 1.00 0.00 O ATOM 481 CB MET A 33 8.558 -5.443 5.581 1.00 0.00 C ATOM 482 CG MET A 33 7.319 -6.300 5.778 1.00 0.00 C ATOM 483 SD MET A 33 6.666 -6.202 7.456 1.00 0.00 S ATOM 484 CE MET A 33 4.937 -6.568 7.169 1.00 0.00 C ATOM 0 H MET A 33 6.793 -3.919 4.769 1.00 0.00 H new ATOM 0 HA MET A 33 8.264 -4.048 7.187 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.799 -5.406 4.519 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.401 -5.917 6.083 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.549 -5.986 5.074 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.559 -7.338 5.546 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.398 -6.545 8.116 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.515 -5.824 6.493 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.844 -7.558 6.723 1.00 0.00 H new ATOM 494 N LYS A 34 9.852 -2.865 4.537 1.00 0.00 N ATOM 495 CA LYS A 34 11.017 -2.095 4.117 1.00 0.00 C ATOM 496 C LYS A 34 11.027 -0.720 4.778 1.00 0.00 C ATOM 497 O LYS A 34 12.089 -0.155 5.041 1.00 0.00 O ATOM 498 CB LYS A 34 11.031 -1.941 2.595 1.00 0.00 C ATOM 499 CG LYS A 34 12.268 -1.237 2.066 1.00 0.00 C ATOM 500 CD LYS A 34 11.988 -0.531 0.750 1.00 0.00 C ATOM 501 CE LYS A 34 13.128 0.399 0.363 1.00 0.00 C ATOM 502 NZ LYS A 34 13.390 1.422 1.412 1.00 0.00 N ATOM 0 H LYS A 34 9.211 -3.107 3.781 1.00 0.00 H new ATOM 0 HA LYS A 34 11.911 -2.636 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.962 -2.928 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.146 -1.384 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.618 -0.512 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.069 -1.963 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.838 -1.271 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.063 0.040 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.032 -0.186 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.888 0.896 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.077 2.116 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.502 1.906 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.774 0.959 2.260 1.00 0.00 H new ATOM 516 N TYR A 35 9.839 -0.188 5.044 1.00 0.00 N ATOM 517 CA TYR A 35 9.712 1.121 5.673 1.00 0.00 C ATOM 518 C TYR A 35 9.093 1.000 7.062 1.00 0.00 C ATOM 519 O TYR A 35 8.535 1.961 7.592 1.00 0.00 O ATOM 520 CB TYR A 35 8.861 2.048 4.803 1.00 0.00 C ATOM 521 CG TYR A 35 9.522 2.427 3.497 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.437 3.471 3.436 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.230 1.742 2.323 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.042 3.822 2.245 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.832 2.085 1.128 1.00 0.00 C ATOM 526 CZ TYR A 35 10.737 3.125 1.094 1.00 0.00 C ATOM 527 OH TYR A 35 11.338 3.471 -0.095 1.00 0.00 O ATOM 0 H TYR A 35 8.951 -0.643 4.834 1.00 0.00 H new ATOM 0 HA TYR A 35 10.711 1.545 5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.909 1.561 4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.637 2.955 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.679 4.017 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.521 0.928 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.750 4.637 2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.595 1.542 0.225 1.00 0.00 H new ATOM 0 HH TYR A 35 11.015 2.882 -0.808 1.00 0.00 H new ATOM 537 N HIS A 36 9.198 -0.189 7.648 1.00 0.00 N ATOM 538 CA HIS A 36 8.650 -0.437 8.977 1.00 0.00 C ATOM 539 C HIS A 36 9.408 0.360 10.035 1.00 0.00 C ATOM 540 O HIS A 36 10.630 0.269 10.158 1.00 0.00 O ATOM 541 CB HIS A 36 8.710 -1.929 9.306 1.00 0.00 C ATOM 542 CG HIS A 36 7.656 -2.372 10.274 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.395 -1.712 11.455 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.795 -3.415 10.228 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.419 -2.330 12.096 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.037 -3.367 11.372 1.00 0.00 N ATOM 0 H HIS A 36 9.657 -0.995 7.224 1.00 0.00 H new ATOM 0 HA HIS A 36 7.609 -0.113 8.980 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.608 -2.500 8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.692 -2.163 9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.718 -4.148 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.004 -2.037 13.049 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.299 -4.025 11.622 1.00 0.00 H new ATOM 554 N PRO A 37 8.668 1.160 10.816 1.00 0.00 N ATOM 555 CA PRO A 37 9.250 1.989 11.876 1.00 0.00 C ATOM 556 C PRO A 37 9.763 1.157 13.047 1.00 0.00 C ATOM 557 O PRO A 37 10.256 1.698 14.036 1.00 0.00 O ATOM 558 CB PRO A 37 8.080 2.871 12.320 1.00 0.00 C ATOM 559 CG PRO A 37 6.862 2.087 11.970 1.00 0.00 C ATOM 560 CD PRO A 37 7.207 1.318 10.725 1.00 0.00 C ATOM 0 HA PRO A 37 10.116 2.550 11.525 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.124 3.078 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.093 3.833 11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.586 1.413 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.010 2.745 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.700 0.354 10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.917 1.860 9.825 1.00 0.00 H new ATOM 568 N ASP A 38 9.644 -0.161 12.927 1.00 0.00 N ATOM 569 CA ASP A 38 10.097 -1.068 13.975 1.00 0.00 C ATOM 570 C ASP A 38 11.420 -1.724 13.591 1.00 0.00 C ATOM 571 O ASP A 38 12.317 -1.871 14.421 1.00 0.00 O ATOM 572 CB ASP A 38 9.040 -2.141 14.242 1.00 0.00 C ATOM 573 CG ASP A 38 7.969 -1.670 15.206 1.00 0.00 C ATOM 574 OD1 ASP A 38 8.280 -0.830 16.076 1.00 0.00 O ATOM 575 OD2 ASP A 38 6.818 -2.142 15.089 1.00 0.00 O ATOM 0 H ASP A 38 9.238 -0.625 12.114 1.00 0.00 H new ATOM 0 HA ASP A 38 10.251 -0.486 14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.575 -2.431 13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.523 -3.030 14.646 1.00 0.00 H new ATOM 580 N LYS A 39 11.534 -2.118 12.327 1.00 0.00 N ATOM 581 CA LYS A 39 12.747 -2.758 11.831 1.00 0.00 C ATOM 582 C LYS A 39 13.723 -1.723 11.281 1.00 0.00 C ATOM 583 O LYS A 39 14.937 -1.866 11.421 1.00 0.00 O ATOM 584 CB LYS A 39 12.401 -3.778 10.743 1.00 0.00 C ATOM 585 CG LYS A 39 11.643 -4.987 11.262 1.00 0.00 C ATOM 586 CD LYS A 39 12.578 -6.003 11.895 1.00 0.00 C ATOM 587 CE LYS A 39 13.133 -6.971 10.861 1.00 0.00 C ATOM 588 NZ LYS A 39 12.186 -8.085 10.579 1.00 0.00 N ATOM 0 H LYS A 39 10.801 -2.005 11.627 1.00 0.00 H new ATOM 0 HA LYS A 39 13.224 -3.273 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.804 -3.288 9.974 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.322 -4.114 10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.903 -4.666 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.098 -5.455 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.401 -5.484 12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.044 -6.559 12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.346 -6.433 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.079 -7.380 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.601 -8.722 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.002 -8.615 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.292 -7.697 10.215 1.00 0.00 H new ATOM 602 N ASN A 40 13.184 -0.681 10.657 1.00 0.00 N ATOM 603 CA ASN A 40 14.008 0.378 10.087 1.00 0.00 C ATOM 604 C ASN A 40 14.485 1.340 11.172 1.00 0.00 C ATOM 605 O ASN A 40 13.680 1.998 11.831 1.00 0.00 O ATOM 606 CB ASN A 40 13.224 1.145 9.020 1.00 0.00 C ATOM 607 CG ASN A 40 14.123 1.712 7.938 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.271 2.072 8.196 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.602 1.795 6.719 1.00 0.00 N ATOM 0 H ASN A 40 12.180 -0.547 10.533 1.00 0.00 H new ATOM 0 HA ASN A 40 14.881 -0.084 9.626 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.488 0.481 8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.672 1.957 9.492 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.159 2.169 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.645 1.484 6.551 1.00 0.00 H new ATOM 616 N LYS A 41 15.799 1.416 11.351 1.00 0.00 N ATOM 617 CA LYS A 41 16.385 2.297 12.353 1.00 0.00 C ATOM 618 C LYS A 41 16.693 3.668 11.759 1.00 0.00 C ATOM 619 O LYS A 41 17.797 4.189 11.917 1.00 0.00 O ATOM 620 CB LYS A 41 17.663 1.678 12.923 1.00 0.00 C ATOM 621 CG LYS A 41 17.942 2.073 14.363 1.00 0.00 C ATOM 622 CD LYS A 41 19.301 1.575 14.824 1.00 0.00 C ATOM 623 CE LYS A 41 19.904 2.496 15.874 1.00 0.00 C ATOM 624 NZ LYS A 41 20.269 3.823 15.306 1.00 0.00 N ATOM 0 H LYS A 41 16.479 0.877 10.814 1.00 0.00 H new ATOM 0 HA LYS A 41 15.660 2.423 13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.589 0.592 12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.509 1.976 12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.899 3.158 14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.165 1.665 15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.202 0.570 15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.974 1.506 13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.192 2.633 16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.791 2.028 16.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.012 4.258 15.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.619 3.700 14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.431 4.439 15.297 1.00 0.00 H new ATOM 638 N SER A 42 15.710 4.247 11.078 1.00 0.00 N ATOM 639 CA SER A 42 15.878 5.557 10.458 1.00 0.00 C ATOM 640 C SER A 42 14.656 6.436 10.707 1.00 0.00 C ATOM 641 O SER A 42 13.515 5.973 10.703 1.00 0.00 O ATOM 642 CB SER A 42 16.114 5.406 8.954 1.00 0.00 C ATOM 643 OG SER A 42 16.697 6.578 8.410 1.00 0.00 O ATOM 0 H SER A 42 14.789 3.830 10.941 1.00 0.00 H new ATOM 0 HA SER A 42 16.747 6.037 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.766 4.552 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.168 5.200 8.453 1.00 0.00 H new ATOM 0 HG SER A 42 16.406 6.687 7.481 1.00 0.00 H new ATOM 649 N PRO A 43 14.899 7.736 10.930 1.00 0.00 N ATOM 650 CA PRO A 43 13.832 8.708 11.185 1.00 0.00 C ATOM 651 C PRO A 43 12.986 8.978 9.946 1.00 0.00 C ATOM 652 O PRO A 43 11.785 9.232 10.046 1.00 0.00 O ATOM 653 CB PRO A 43 14.594 9.970 11.598 1.00 0.00 C ATOM 654 CG PRO A 43 15.933 9.830 10.961 1.00 0.00 C ATOM 655 CD PRO A 43 16.234 8.357 10.950 1.00 0.00 C ATOM 0 HA PRO A 43 13.128 8.353 11.938 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.084 10.870 11.254 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.677 10.045 12.682 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.928 10.235 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.691 10.379 11.520 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.822 8.074 10.077 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.804 8.057 11.829 1.00 0.00 H new ATOM 663 N ASP A 44 13.618 8.923 8.779 1.00 0.00 N ATOM 664 CA ASP A 44 12.923 9.160 7.520 1.00 0.00 C ATOM 665 C ASP A 44 11.944 8.029 7.218 1.00 0.00 C ATOM 666 O ASP A 44 10.866 8.258 6.672 1.00 0.00 O ATOM 667 CB ASP A 44 13.928 9.300 6.376 1.00 0.00 C ATOM 668 CG ASP A 44 14.384 7.957 5.838 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.244 7.321 6.482 1.00 0.00 O ATOM 670 OD2 ASP A 44 13.880 7.543 4.774 1.00 0.00 O ATOM 0 H ASP A 44 14.612 8.716 8.679 1.00 0.00 H new ATOM 0 HA ASP A 44 12.360 10.089 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.477 9.877 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.795 9.862 6.724 1.00 0.00 H new ATOM 675 N ALA A 45 12.329 6.809 7.577 1.00 0.00 N ATOM 676 CA ALA A 45 11.486 5.643 7.346 1.00 0.00 C ATOM 677 C ALA A 45 10.104 5.833 7.963 1.00 0.00 C ATOM 678 O ALA A 45 9.087 5.606 7.310 1.00 0.00 O ATOM 679 CB ALA A 45 12.148 4.393 7.906 1.00 0.00 C ATOM 0 H ALA A 45 13.220 6.603 8.029 1.00 0.00 H new ATOM 0 HA ALA A 45 11.362 5.524 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.507 3.530 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.109 4.239 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.303 4.513 8.978 1.00 0.00 H new ATOM 685 N GLU A 46 10.077 6.250 9.225 1.00 0.00 N ATOM 686 CA GLU A 46 8.820 6.469 9.930 1.00 0.00 C ATOM 687 C GLU A 46 7.874 7.333 9.100 1.00 0.00 C ATOM 688 O GLU A 46 6.661 7.125 9.105 1.00 0.00 O ATOM 689 CB GLU A 46 9.077 7.133 11.285 1.00 0.00 C ATOM 690 CG GLU A 46 7.808 7.457 12.055 1.00 0.00 C ATOM 691 CD GLU A 46 8.038 8.472 13.157 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.477 8.067 14.254 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.779 9.671 12.924 1.00 0.00 O ATOM 0 H GLU A 46 10.911 6.443 9.780 1.00 0.00 H new ATOM 0 HA GLU A 46 8.351 5.499 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.701 6.475 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.641 8.052 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.056 7.840 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.406 6.541 12.488 1.00 0.00 H new ATOM 700 N ALA A 47 8.439 8.303 8.388 1.00 0.00 N ATOM 701 CA ALA A 47 7.648 9.197 7.552 1.00 0.00 C ATOM 702 C ALA A 47 7.108 8.468 6.326 1.00 0.00 C ATOM 703 O ALA A 47 5.909 8.499 6.050 1.00 0.00 O ATOM 704 CB ALA A 47 8.480 10.399 7.130 1.00 0.00 C ATOM 0 H ALA A 47 9.442 8.489 8.374 1.00 0.00 H new ATOM 0 HA ALA A 47 6.798 9.545 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.877 11.058 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.812 10.941 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.349 10.060 6.566 1.00 0.00 H new ATOM 710 N LYS A 48 8.002 7.813 5.592 1.00 0.00 N ATOM 711 CA LYS A 48 7.616 7.075 4.395 1.00 0.00 C ATOM 712 C LYS A 48 6.410 6.184 4.671 1.00 0.00 C ATOM 713 O LYS A 48 5.409 6.237 3.955 1.00 0.00 O ATOM 714 CB LYS A 48 8.787 6.227 3.895 1.00 0.00 C ATOM 715 CG LYS A 48 9.849 7.028 3.162 1.00 0.00 C ATOM 716 CD LYS A 48 9.354 7.501 1.805 1.00 0.00 C ATOM 717 CE LYS A 48 9.658 6.484 0.716 1.00 0.00 C ATOM 718 NZ LYS A 48 11.056 6.606 0.218 1.00 0.00 N ATOM 0 H LYS A 48 8.999 7.778 5.805 1.00 0.00 H new ATOM 0 HA LYS A 48 7.343 7.797 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.247 5.721 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.406 5.452 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.138 7.889 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.742 6.416 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.279 7.678 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.823 8.453 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.497 5.478 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.964 6.621 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.435 5.660 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.067 7.179 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.644 7.064 0.943 1.00 0.00 H new ATOM 732 N PHE A 49 6.510 5.365 5.713 1.00 0.00 N ATOM 733 CA PHE A 49 5.427 4.462 6.083 1.00 0.00 C ATOM 734 C PHE A 49 4.119 5.227 6.266 1.00 0.00 C ATOM 735 O PHE A 49 3.040 4.712 5.975 1.00 0.00 O ATOM 736 CB PHE A 49 5.776 3.713 7.371 1.00 0.00 C ATOM 737 CG PHE A 49 4.639 2.899 7.919 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.064 1.890 7.163 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.144 3.144 9.190 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.017 1.141 7.665 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.097 2.398 9.697 1.00 0.00 C ATOM 742 CZ PHE A 49 2.534 1.394 8.934 1.00 0.00 C ATOM 0 H PHE A 49 7.331 5.308 6.316 1.00 0.00 H new ATOM 0 HA PHE A 49 5.297 3.742 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.624 3.055 7.181 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.094 4.433 8.125 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.438 1.687 6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.582 3.927 9.791 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.577 0.358 7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.720 2.600 10.689 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.717 0.808 9.329 1.00 0.00 H new ATOM 752 N ARG A 50 4.225 6.460 6.752 1.00 0.00 N ATOM 753 CA ARG A 50 3.052 7.296 6.976 1.00 0.00 C ATOM 754 C ARG A 50 2.281 7.511 5.676 1.00 0.00 C ATOM 755 O ARG A 50 1.091 7.824 5.694 1.00 0.00 O ATOM 756 CB ARG A 50 3.467 8.646 7.564 1.00 0.00 C ATOM 757 CG ARG A 50 2.315 9.419 8.185 1.00 0.00 C ATOM 758 CD ARG A 50 1.757 8.704 9.406 1.00 0.00 C ATOM 759 NE ARG A 50 1.198 9.638 10.380 1.00 0.00 N ATOM 760 CZ ARG A 50 0.656 9.261 11.532 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.601 7.976 11.854 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.167 10.170 12.366 1.00 0.00 N ATOM 0 H ARG A 50 5.111 6.902 6.998 1.00 0.00 H new ATOM 0 HA ARG A 50 2.401 6.783 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.234 8.483 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.918 9.252 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.655 10.415 8.469 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.524 9.551 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.985 8.001 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.548 8.120 9.877 1.00 0.00 H new ATOM 0 HE ARG A 50 1.226 10.634 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.976 7.274 11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.184 7.690 12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.207 11.160 12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.249 9.879 13.251 1.00 0.00 H new ATOM 776 N GLU A 51 2.969 7.342 4.551 1.00 0.00 N ATOM 777 CA GLU A 51 2.349 7.518 3.244 1.00 0.00 C ATOM 778 C GLU A 51 1.915 6.176 2.661 1.00 0.00 C ATOM 779 O GLU A 51 0.941 6.099 1.911 1.00 0.00 O ATOM 780 CB GLU A 51 3.317 8.214 2.285 1.00 0.00 C ATOM 781 CG GLU A 51 3.211 9.729 2.304 1.00 0.00 C ATOM 782 CD GLU A 51 1.775 10.214 2.236 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.112 9.958 1.210 1.00 0.00 O ATOM 784 OE2 GLU A 51 1.316 10.849 3.208 1.00 0.00 O ATOM 0 H GLU A 51 3.955 7.084 4.519 1.00 0.00 H new ATOM 0 HA GLU A 51 1.464 8.142 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.337 7.927 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.130 7.858 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.677 10.111 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.769 10.139 1.463 1.00 0.00 H new ATOM 791 N ILE A 52 2.644 5.123 3.011 1.00 0.00 N ATOM 792 CA ILE A 52 2.335 3.784 2.524 1.00 0.00 C ATOM 793 C ILE A 52 1.046 3.257 3.145 1.00 0.00 C ATOM 794 O ILE A 52 0.179 2.730 2.449 1.00 0.00 O ATOM 795 CB ILE A 52 3.478 2.797 2.827 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.832 3.440 2.519 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.299 1.517 2.024 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.954 2.439 2.357 1.00 0.00 C ATOM 0 H ILE A 52 3.453 5.170 3.630 1.00 0.00 H new ATOM 0 HA ILE A 52 2.210 3.862 1.444 1.00 0.00 H new ATOM 0 HB ILE A 52 3.449 2.545 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.746 4.028 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.087 4.133 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.114 0.829 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.349 1.052 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.305 1.751 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.883 2.966 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.067 1.867 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.721 1.761 1.536 1.00 0.00 H new ATOM 810 N ALA A 53 0.926 3.405 4.461 1.00 0.00 N ATOM 811 CA ALA A 53 -0.259 2.948 5.176 1.00 0.00 C ATOM 812 C ALA A 53 -1.506 3.687 4.701 1.00 0.00 C ATOM 813 O ALA A 53 -2.411 3.086 4.122 1.00 0.00 O ATOM 814 CB ALA A 53 -0.074 3.130 6.675 1.00 0.00 C ATOM 0 H ALA A 53 1.635 3.838 5.053 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.394 1.887 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.967 2.785 7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.788 2.551 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.090 4.185 6.896 1.00 0.00 H new ATOM 820 N GLU A 54 -1.546 4.992 4.950 1.00 0.00 N ATOM 821 CA GLU A 54 -2.683 5.811 4.549 1.00 0.00 C ATOM 822 C GLU A 54 -3.156 5.436 3.147 1.00 0.00 C ATOM 823 O GLU A 54 -4.355 5.317 2.896 1.00 0.00 O ATOM 824 CB GLU A 54 -2.313 7.295 4.594 1.00 0.00 C ATOM 825 CG GLU A 54 -3.412 8.213 4.087 1.00 0.00 C ATOM 826 CD GLU A 54 -4.578 8.315 5.052 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.366 8.787 6.189 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.701 7.924 4.670 1.00 0.00 O ATOM 0 H GLU A 54 -0.804 5.504 5.427 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.496 5.626 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.068 7.568 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.414 7.455 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.999 9.207 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.772 7.847 3.126 1.00 0.00 H new ATOM 835 N ALA A 55 -2.205 5.253 2.238 1.00 0.00 N ATOM 836 CA ALA A 55 -2.523 4.891 0.862 1.00 0.00 C ATOM 837 C ALA A 55 -3.311 3.587 0.806 1.00 0.00 C ATOM 838 O ALA A 55 -4.324 3.492 0.112 1.00 0.00 O ATOM 839 CB ALA A 55 -1.248 4.775 0.039 1.00 0.00 C ATOM 0 H ALA A 55 -1.208 5.349 2.429 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.145 5.680 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.500 4.504 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.724 5.731 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.606 4.007 0.470 1.00 0.00 H new ATOM 845 N TYR A 56 -2.841 2.585 1.540 1.00 0.00 N ATOM 846 CA TYR A 56 -3.500 1.285 1.571 1.00 0.00 C ATOM 847 C TYR A 56 -4.870 1.385 2.236 1.00 0.00 C ATOM 848 O TYR A 56 -5.861 0.872 1.718 1.00 0.00 O ATOM 849 CB TYR A 56 -2.633 0.267 2.314 1.00 0.00 C ATOM 850 CG TYR A 56 -3.358 -1.017 2.648 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.388 -2.075 1.748 1.00 0.00 C ATOM 852 CD2 TYR A 56 -4.014 -1.172 3.863 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.050 -3.250 2.048 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.677 -2.344 4.172 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.692 -3.379 3.262 1.00 0.00 C ATOM 856 OH TYR A 56 -5.353 -4.548 3.566 1.00 0.00 O ATOM 0 H TYR A 56 -2.006 2.648 2.122 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.638 0.952 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.760 0.033 1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.267 0.718 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.885 -1.977 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.005 -0.363 4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.065 -4.062 1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.181 -2.449 5.122 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.751 -4.476 4.459 1.00 0.00 H new ATOM 866 N GLU A 57 -4.915 2.049 3.386 1.00 0.00 N ATOM 867 CA GLU A 57 -6.162 2.217 4.123 1.00 0.00 C ATOM 868 C GLU A 57 -7.325 2.481 3.170 1.00 0.00 C ATOM 869 O GLU A 57 -8.427 1.966 3.359 1.00 0.00 O ATOM 870 CB GLU A 57 -6.038 3.366 5.125 1.00 0.00 C ATOM 871 CG GLU A 57 -5.009 3.114 6.215 1.00 0.00 C ATOM 872 CD GLU A 57 -5.228 1.795 6.931 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.396 1.473 7.236 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.233 1.086 7.186 1.00 0.00 O ATOM 0 H GLU A 57 -4.103 2.479 3.828 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.361 1.293 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.772 4.277 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.010 3.540 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.011 3.124 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.047 3.927 6.940 1.00 0.00 H new ATOM 881 N THR A 58 -7.071 3.290 2.146 1.00 0.00 N ATOM 882 CA THR A 58 -8.095 3.625 1.165 1.00 0.00 C ATOM 883 C THR A 58 -8.310 2.480 0.181 1.00 0.00 C ATOM 884 O THR A 58 -9.443 2.067 -0.067 1.00 0.00 O ATOM 885 CB THR A 58 -7.726 4.898 0.380 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.482 5.979 1.287 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.838 5.280 -0.585 1.00 0.00 C ATOM 0 H THR A 58 -6.165 3.725 1.975 1.00 0.00 H new ATOM 0 HA THR A 58 -9.017 3.803 1.719 1.00 0.00 H new ATOM 0 HB THR A 58 -6.822 4.695 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.923 6.654 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.555 6.182 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.001 4.467 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.756 5.466 -0.027 1.00 0.00 H new ATOM 895 N LEU A 59 -7.217 1.972 -0.375 1.00 0.00 N ATOM 896 CA LEU A 59 -7.286 0.873 -1.332 1.00 0.00 C ATOM 897 C LEU A 59 -7.582 -0.447 -0.626 1.00 0.00 C ATOM 898 O LEU A 59 -7.706 -1.491 -1.266 1.00 0.00 O ATOM 899 CB LEU A 59 -5.973 0.764 -2.110 1.00 0.00 C ATOM 900 CG LEU A 59 -5.446 2.063 -2.721 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.152 1.809 -3.480 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.490 2.685 -3.636 1.00 0.00 C ATOM 0 H LEU A 59 -6.272 2.303 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.098 1.082 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.210 0.364 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.108 0.037 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.238 2.764 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.792 2.744 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.402 1.410 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.334 1.091 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.097 3.608 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.731 1.989 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.391 2.904 -3.064 1.00 0.00 H new ATOM 914 N SER A 60 -7.696 -0.391 0.697 1.00 0.00 N ATOM 915 CA SER A 60 -7.976 -1.582 1.491 1.00 0.00 C ATOM 916 C SER A 60 -9.478 -1.835 1.578 1.00 0.00 C ATOM 917 O SER A 60 -9.959 -2.911 1.221 1.00 0.00 O ATOM 918 CB SER A 60 -7.390 -1.433 2.896 1.00 0.00 C ATOM 919 OG SER A 60 -8.093 -0.454 3.641 1.00 0.00 O ATOM 0 H SER A 60 -7.599 0.466 1.242 1.00 0.00 H new ATOM 0 HA SER A 60 -7.509 -2.435 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.434 -2.390 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.338 -1.156 2.827 1.00 0.00 H new ATOM 0 HG SER A 60 -8.185 0.361 3.105 1.00 0.00 H new ATOM 925 N ASP A 61 -10.213 -0.837 2.056 1.00 0.00 N ATOM 926 CA ASP A 61 -11.661 -0.950 2.190 1.00 0.00 C ATOM 927 C ASP A 61 -12.339 -0.890 0.825 1.00 0.00 C ATOM 928 O ASP A 61 -11.802 -0.314 -0.121 1.00 0.00 O ATOM 929 CB ASP A 61 -12.199 0.163 3.091 1.00 0.00 C ATOM 930 CG ASP A 61 -12.237 -0.242 4.551 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.191 -0.684 5.072 1.00 0.00 O ATOM 932 OD2 ASP A 61 -13.311 -0.116 5.174 1.00 0.00 O ATOM 0 H ASP A 61 -9.830 0.059 2.357 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.886 -1.915 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.576 1.050 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.203 0.436 2.766 1.00 0.00 H new ATOM 937 N ALA A 62 -13.522 -1.489 0.731 1.00 0.00 N ATOM 938 CA ALA A 62 -14.274 -1.502 -0.518 1.00 0.00 C ATOM 939 C ALA A 62 -14.748 -0.101 -0.888 1.00 0.00 C ATOM 940 O ALA A 62 -14.253 0.501 -1.840 1.00 0.00 O ATOM 941 CB ALA A 62 -15.458 -2.452 -0.411 1.00 0.00 C ATOM 0 H ALA A 62 -13.980 -1.971 1.504 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.611 -1.853 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.011 -2.452 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.098 -3.459 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.114 -2.126 0.396 1.00 0.00 H new ATOM 947 N ASN A 63 -15.712 0.412 -0.130 1.00 0.00 N ATOM 948 CA ASN A 63 -16.254 1.742 -0.380 1.00 0.00 C ATOM 949 C ASN A 63 -15.134 2.771 -0.510 1.00 0.00 C ATOM 950 O ASN A 63 -15.127 3.581 -1.437 1.00 0.00 O ATOM 951 CB ASN A 63 -17.206 2.148 0.747 1.00 0.00 C ATOM 952 CG ASN A 63 -17.231 3.648 0.971 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.202 4.429 0.020 1.00 0.00 O ATOM 954 ND2 ASN A 63 -17.285 4.056 2.234 1.00 0.00 N ATOM 0 H ASN A 63 -16.133 -0.073 0.662 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.806 1.711 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -18.212 1.802 0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.906 1.651 1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.304 5.053 2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.307 3.372 2.990 1.00 0.00 H new ATOM 961 N ARG A 64 -14.190 2.730 0.424 1.00 0.00 N ATOM 962 CA ARG A 64 -13.066 3.659 0.415 1.00 0.00 C ATOM 963 C ARG A 64 -12.351 3.632 -0.933 1.00 0.00 C ATOM 964 O ARG A 64 -12.201 4.664 -1.587 1.00 0.00 O ATOM 965 CB ARG A 64 -12.082 3.312 1.533 1.00 0.00 C ATOM 966 CG ARG A 64 -12.644 3.532 2.929 1.00 0.00 C ATOM 967 CD ARG A 64 -11.542 3.843 3.930 1.00 0.00 C ATOM 968 NE ARG A 64 -12.043 4.595 5.078 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.255 5.178 5.974 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.937 5.095 5.857 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.785 5.845 6.991 1.00 0.00 N ATOM 0 H ARG A 64 -14.181 2.064 1.196 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.455 4.664 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.783 2.269 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.182 3.915 1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.361 4.353 2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.187 2.642 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.092 2.912 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.755 4.414 3.437 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.053 4.677 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.526 4.582 5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.334 5.544 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.799 5.910 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.179 6.292 7.679 1.00 0.00 H new ATOM 985 N ARG A 65 -11.911 2.446 -1.340 1.00 0.00 N ATOM 986 CA ARG A 65 -11.210 2.286 -2.609 1.00 0.00 C ATOM 987 C ARG A 65 -12.147 2.547 -3.784 1.00 0.00 C ATOM 988 O ARG A 65 -11.710 2.948 -4.863 1.00 0.00 O ATOM 989 CB ARG A 65 -10.620 0.878 -2.715 1.00 0.00 C ATOM 990 CG ARG A 65 -9.721 0.685 -3.925 1.00 0.00 C ATOM 991 CD ARG A 65 -10.503 0.175 -5.125 1.00 0.00 C ATOM 992 NE ARG A 65 -9.641 -0.491 -6.098 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.098 -1.262 -7.078 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.401 -1.463 -7.215 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.250 -1.834 -7.924 1.00 0.00 N ATOM 0 H ARG A 65 -12.027 1.582 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.401 3.015 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.050 0.663 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.434 0.154 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.241 1.631 -4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.927 -0.020 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.273 -0.519 -4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.015 1.009 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.633 -0.357 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.056 -1.025 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.749 -2.056 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.247 -1.682 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.602 -2.426 -8.676 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.437 2.316 -3.569 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.437 2.527 -4.609 1.00 0.00 C ATOM 1011 C LYS A 66 -14.452 3.983 -5.062 1.00 0.00 C ATOM 1012 O LYS A 66 -14.480 4.269 -6.259 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.824 2.125 -4.101 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.748 1.617 -5.193 1.00 0.00 C ATOM 1015 CD LYS A 66 -16.630 0.112 -5.368 1.00 0.00 C ATOM 1016 CE LYS A 66 -17.615 -0.631 -4.479 1.00 0.00 C ATOM 1017 NZ LYS A 66 -17.422 -2.106 -4.549 1.00 0.00 N ATOM 0 H LYS A 66 -13.815 1.982 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.174 1.902 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.713 1.351 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.287 2.984 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.778 1.876 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.509 2.113 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.810 -0.149 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.614 -0.204 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.496 -0.298 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.633 -0.383 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.112 -2.576 -3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.560 -2.428 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.459 -2.345 -4.238 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.432 4.898 -4.099 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.443 6.325 -4.401 1.00 0.00 C ATOM 1033 C GLU A 67 -13.081 6.782 -4.917 1.00 0.00 C ATOM 1034 O GLU A 67 -12.994 7.532 -5.890 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.825 7.130 -3.157 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.058 6.600 -2.445 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.837 7.691 -1.737 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.826 8.840 -2.228 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.457 7.398 -0.694 1.00 0.00 O ATOM 0 H GLU A 67 -14.408 4.677 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.185 6.500 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.986 7.129 -2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.999 8.167 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.707 6.107 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.757 5.844 -1.719 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.022 6.325 -4.259 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.665 6.688 -4.649 1.00 0.00 C ATOM 1048 C TYR A 68 -10.366 6.232 -6.073 1.00 0.00 C ATOM 1049 O TYR A 68 -9.352 6.611 -6.659 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.652 6.073 -3.681 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.221 6.465 -3.973 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.744 7.727 -3.640 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.346 5.573 -4.581 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.437 8.089 -3.905 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.038 5.927 -4.849 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.588 7.186 -4.509 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.286 7.542 -4.775 1.00 0.00 O ATOM 0 H TYR A 68 -12.077 5.702 -3.453 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.582 7.774 -4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.903 6.376 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.738 4.987 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.406 8.437 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.694 4.586 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.082 9.074 -3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.371 5.222 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.182 8.510 -4.661 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.257 5.415 -6.625 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.091 4.907 -7.981 1.00 0.00 C ATOM 1069 C ASP A 69 -12.055 5.597 -8.941 1.00 0.00 C ATOM 1070 O ASP A 69 -11.672 6.002 -10.040 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.316 3.394 -8.013 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.506 2.712 -9.098 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.567 3.168 -10.259 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.812 1.721 -8.786 1.00 0.00 O ATOM 0 H ASP A 69 -12.101 5.091 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.071 5.122 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.051 2.969 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.375 3.190 -8.172 1.00 0.00 H new ATOM 1079 N THR A 70 -13.310 5.727 -8.521 1.00 0.00 N ATOM 1080 CA THR A 70 -14.329 6.366 -9.343 1.00 0.00 C ATOM 1081 C THR A 70 -14.132 7.877 -9.389 1.00 0.00 C ATOM 1082 O THR A 70 -14.623 8.550 -10.297 1.00 0.00 O ATOM 1083 CB THR A 70 -15.746 6.061 -8.820 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.694 6.156 -9.889 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.130 7.023 -7.706 1.00 0.00 C ATOM 0 H THR A 70 -13.645 5.398 -7.615 1.00 0.00 H new ATOM 0 HA THR A 70 -14.224 5.958 -10.348 1.00 0.00 H new ATOM 0 HB THR A 70 -15.752 5.047 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.592 5.959 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.134 6.788 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.423 6.926 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.108 8.045 -8.084 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.410 8.405 -8.407 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.147 9.838 -8.336 1.00 0.00 C ATOM 1095 C LEU A 71 -11.697 10.144 -8.700 1.00 0.00 C ATOM 1096 O LEU A 71 -11.416 11.101 -9.419 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.454 10.363 -6.933 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.882 10.146 -6.432 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.968 10.403 -4.935 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.854 11.042 -7.185 1.00 0.00 C ATOM 0 H LEU A 71 -12.996 7.862 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.796 10.338 -9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.768 9.888 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.242 11.432 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.157 9.108 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.992 10.244 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.302 9.719 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.672 11.431 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.865 10.874 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.580 12.086 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.814 10.809 -8.249 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.780 9.321 -8.200 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.371 9.519 -8.485 1.00 0.00 C ATOM 1114 C GLY A 72 -8.566 9.832 -7.240 1.00 0.00 C ATOM 1115 O GLY A 72 -8.842 9.301 -6.164 1.00 0.00 O ATOM 0 H GLY A 72 -10.988 8.521 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.970 8.622 -8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.259 10.334 -9.200 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.565 10.695 -7.385 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.716 11.076 -6.263 1.00 0.00 C ATOM 1121 C HIS A 73 -6.971 12.525 -5.856 1.00 0.00 C ATOM 1122 O HIS A 73 -7.380 12.800 -4.728 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.242 10.888 -6.624 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.301 11.292 -5.531 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.975 10.467 -4.476 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.614 12.442 -5.334 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.129 11.092 -3.676 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.893 12.292 -4.175 1.00 0.00 N ATOM 0 H HIS A 73 -7.323 11.143 -8.269 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.961 10.431 -5.419 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.068 9.841 -6.873 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.018 11.470 -7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.630 13.315 -5.970 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.703 10.690 -2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.276 12.993 -3.766 1.00 0.00 H new ATOM 1136 N SER A 74 -6.727 13.446 -6.782 1.00 0.00 N ATOM 1137 CA SER A 74 -6.926 14.867 -6.519 1.00 0.00 C ATOM 1138 C SER A 74 -8.394 15.165 -6.232 1.00 0.00 C ATOM 1139 O SER A 74 -8.718 16.097 -5.496 1.00 0.00 O ATOM 1140 CB SER A 74 -6.447 15.700 -7.709 1.00 0.00 C ATOM 1141 OG SER A 74 -7.077 15.286 -8.908 1.00 0.00 O ATOM 0 H SER A 74 -6.391 13.234 -7.722 1.00 0.00 H new ATOM 0 HA SER A 74 -6.340 15.134 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.659 16.754 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.366 15.606 -7.811 1.00 0.00 H new ATOM 0 HG SER A 74 -6.755 15.835 -9.653 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.279 14.367 -6.821 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.714 14.544 -6.628 1.00 0.00 C ATOM 1149 C ALA A 75 -11.169 13.933 -5.307 1.00 0.00 C ATOM 1150 O ALA A 75 -11.794 14.604 -4.485 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.481 13.928 -7.789 1.00 0.00 C ATOM 0 H ALA A 75 -9.028 13.592 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.923 15.613 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.551 14.067 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.184 14.413 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.258 12.863 -7.848 1.00 0.00 H new ATOM 1157 N PHE A 76 -10.854 12.658 -5.110 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.232 11.957 -3.888 1.00 0.00 C ATOM 1159 C PHE A 76 -10.622 12.630 -2.663 1.00 0.00 C ATOM 1160 O PHE A 76 -11.114 12.476 -1.544 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.787 10.494 -3.956 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.879 9.779 -2.638 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -9.843 9.853 -1.721 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.000 9.031 -2.317 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -9.924 9.196 -0.508 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.087 8.372 -1.105 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.047 8.454 -0.200 1.00 0.00 C ATOM 0 H PHE A 76 -10.338 12.088 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.318 11.996 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.400 9.969 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.758 10.451 -4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.962 10.431 -1.957 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.815 8.962 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.110 9.263 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.967 7.794 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.112 7.939 0.747 1.00 0.00 H new ATOM 1177 N THR A 77 -9.545 13.378 -2.881 1.00 0.00 N ATOM 1178 CA THR A 77 -8.865 14.074 -1.796 1.00 0.00 C ATOM 1179 C THR A 77 -9.285 15.538 -1.733 1.00 0.00 C ATOM 1180 O THR A 77 -8.481 16.411 -1.404 1.00 0.00 O ATOM 1181 CB THR A 77 -7.334 13.997 -1.952 1.00 0.00 C ATOM 1182 OG1 THR A 77 -6.931 14.652 -3.160 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.864 12.551 -1.971 1.00 0.00 C ATOM 0 H THR A 77 -9.125 13.517 -3.800 1.00 0.00 H new ATOM 0 HA THR A 77 -9.154 13.576 -0.871 1.00 0.00 H new ATOM 0 HB THR A 77 -6.878 14.499 -1.098 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.587 13.988 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.780 12.522 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.146 12.064 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.328 12.028 -2.807 1.00 0.00 H new ATOM 1191 N SER A 78 -10.549 15.800 -2.049 1.00 0.00 N ATOM 1192 CA SER A 78 -11.075 17.160 -2.031 1.00 0.00 C ATOM 1193 C SER A 78 -11.206 17.673 -0.600 1.00 0.00 C ATOM 1194 O SER A 78 -11.886 17.069 0.228 1.00 0.00 O ATOM 1195 CB SER A 78 -12.436 17.212 -2.730 1.00 0.00 C ATOM 1196 OG SER A 78 -12.920 18.542 -2.805 1.00 0.00 O ATOM 0 H SER A 78 -11.228 15.089 -2.321 1.00 0.00 H new ATOM 0 HA SER A 78 -10.375 17.801 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.349 16.796 -3.734 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.150 16.592 -2.189 1.00 0.00 H new ATOM 0 HG SER A 78 -13.789 18.549 -3.257 1.00 0.00 H new ATOM 1202 N GLY A 79 -10.548 18.793 -0.318 1.00 0.00 N ATOM 1203 CA GLY A 79 -10.602 19.370 1.013 1.00 0.00 C ATOM 1204 C GLY A 79 -9.327 19.137 1.798 1.00 0.00 C ATOM 1205 O GLY A 79 -9.359 18.985 3.020 1.00 0.00 O ATOM 0 H GLY A 79 -9.979 19.311 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.786 20.442 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.444 18.942 1.557 1.00 0.00 H new ATOM 1209 N LYS A 80 -8.199 19.106 1.097 1.00 0.00 N ATOM 1210 CA LYS A 80 -6.906 18.889 1.734 1.00 0.00 C ATOM 1211 C LYS A 80 -5.858 19.850 1.182 1.00 0.00 C ATOM 1212 O LYS A 80 -6.006 20.378 0.080 1.00 0.00 O ATOM 1213 CB LYS A 80 -6.447 17.444 1.527 1.00 0.00 C ATOM 1214 CG LYS A 80 -5.574 16.915 2.651 1.00 0.00 C ATOM 1215 CD LYS A 80 -6.406 16.275 3.750 1.00 0.00 C ATOM 1216 CE LYS A 80 -5.597 15.259 4.541 1.00 0.00 C ATOM 1217 NZ LYS A 80 -4.657 15.916 5.490 1.00 0.00 N ATOM 0 H LYS A 80 -8.154 19.229 0.085 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.020 19.078 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.324 16.804 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.896 17.378 0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.871 16.183 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.983 17.730 3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.779 17.048 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.276 15.787 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.274 14.607 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.036 14.627 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.124 15.190 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.995 16.519 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.194 16.499 6.163 1.00 0.00 H new ATOM 1231 N GLY A 81 -4.799 20.073 1.954 1.00 0.00 N ATOM 1232 CA GLY A 81 -3.742 20.969 1.524 1.00 0.00 C ATOM 1233 C GLY A 81 -2.362 20.453 1.882 1.00 0.00 C ATOM 1234 O GLY A 81 -2.225 19.359 2.429 1.00 0.00 O ATOM 0 H GLY A 81 -4.654 19.649 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.805 21.109 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.891 21.947 1.982 1.00 0.00 H new ATOM 1238 N GLN A 82 -1.339 21.241 1.571 1.00 0.00 N ATOM 1239 CA GLN A 82 0.037 20.856 1.862 1.00 0.00 C ATOM 1240 C GLN A 82 0.613 21.703 2.992 1.00 0.00 C ATOM 1241 O GLN A 82 0.459 22.924 3.006 1.00 0.00 O ATOM 1242 CB GLN A 82 0.905 20.997 0.610 1.00 0.00 C ATOM 1243 CG GLN A 82 0.778 19.828 -0.353 1.00 0.00 C ATOM 1244 CD GLN A 82 1.828 19.856 -1.446 1.00 0.00 C ATOM 1245 OE1 GLN A 82 3.002 19.578 -1.202 1.00 0.00 O ATOM 1246 NE2 GLN A 82 1.410 20.193 -2.661 1.00 0.00 N ATOM 0 H GLN A 82 -1.436 22.150 1.118 1.00 0.00 H new ATOM 0 HA GLN A 82 0.035 19.813 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.633 21.916 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.948 21.098 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.862 18.894 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.213 19.841 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.427 20.416 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.072 20.229 -3.436 1.00 0.00 H new ATOM 1255 N SER A 83 1.275 21.046 3.939 1.00 0.00 N ATOM 1256 CA SER A 83 1.870 21.739 5.076 1.00 0.00 C ATOM 1257 C SER A 83 3.389 21.599 5.063 1.00 0.00 C ATOM 1258 O SER A 83 4.115 22.569 5.281 1.00 0.00 O ATOM 1259 CB SER A 83 1.308 21.187 6.388 1.00 0.00 C ATOM 1260 OG SER A 83 -0.096 21.369 6.457 1.00 0.00 O ATOM 0 H SER A 83 1.413 20.035 3.942 1.00 0.00 H new ATOM 0 HA SER A 83 1.619 22.797 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.545 20.126 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.785 21.687 7.231 1.00 0.00 H new ATOM 0 HG SER A 83 -0.432 21.007 7.303 1.00 0.00 H new ATOM 1266 N GLY A 84 3.864 20.384 4.805 1.00 0.00 N ATOM 1267 CA GLY A 84 5.294 20.139 4.768 1.00 0.00 C ATOM 1268 C GLY A 84 6.050 21.225 4.030 1.00 0.00 C ATOM 1269 O GLY A 84 5.531 21.855 3.107 1.00 0.00 O ATOM 0 H GLY A 84 3.284 19.565 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.673 20.065 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.483 19.179 4.288 1.00 0.00 H new ATOM 1273 N PRO A 85 7.305 21.460 4.438 1.00 0.00 N ATOM 1274 CA PRO A 85 8.160 22.480 3.822 1.00 0.00 C ATOM 1275 C PRO A 85 8.587 22.102 2.408 1.00 0.00 C ATOM 1276 O PRO A 85 8.878 22.969 1.584 1.00 0.00 O ATOM 1277 CB PRO A 85 9.376 22.531 4.751 1.00 0.00 C ATOM 1278 CG PRO A 85 9.419 21.187 5.393 1.00 0.00 C ATOM 1279 CD PRO A 85 7.988 20.748 5.531 1.00 0.00 C ATOM 0 HA PRO A 85 7.645 23.435 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.291 22.733 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.273 23.322 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.986 20.482 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.908 21.235 6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.888 19.667 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.577 21.017 6.504 1.00 0.00 H new ATOM 1287 N SER A 86 8.621 20.802 2.132 1.00 0.00 N ATOM 1288 CA SER A 86 9.014 20.309 0.817 1.00 0.00 C ATOM 1289 C SER A 86 7.789 19.984 -0.031 1.00 0.00 C ATOM 1290 O SER A 86 6.836 19.367 0.446 1.00 0.00 O ATOM 1291 CB SER A 86 9.896 19.067 0.958 1.00 0.00 C ATOM 1292 OG SER A 86 9.138 17.951 1.392 1.00 0.00 O ATOM 0 H SER A 86 8.381 20.071 2.802 1.00 0.00 H new ATOM 0 HA SER A 86 9.581 21.094 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.367 18.841 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.698 19.265 1.669 1.00 0.00 H new ATOM 0 HG SER A 86 9.724 17.169 1.473 1.00 0.00 H new ATOM 1298 N SER A 87 7.820 20.405 -1.291 1.00 0.00 N ATOM 1299 CA SER A 87 6.711 20.162 -2.206 1.00 0.00 C ATOM 1300 C SER A 87 7.195 19.466 -3.475 1.00 0.00 C ATOM 1301 O SER A 87 8.306 19.709 -3.944 1.00 0.00 O ATOM 1302 CB SER A 87 6.021 21.480 -2.565 1.00 0.00 C ATOM 1303 OG SER A 87 6.866 22.299 -3.354 1.00 0.00 O ATOM 0 H SER A 87 8.601 20.916 -1.702 1.00 0.00 H new ATOM 0 HA SER A 87 5.996 19.509 -1.705 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.098 21.275 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.744 22.009 -1.653 1.00 0.00 H new ATOM 0 HG SER A 87 6.402 23.134 -3.572 1.00 0.00 H new ATOM 1309 N GLY A 88 6.351 18.598 -4.025 1.00 0.00 N ATOM 1310 CA GLY A 88 6.710 17.880 -5.234 1.00 0.00 C ATOM 1311 C GLY A 88 6.584 16.377 -5.074 1.00 0.00 C ATOM 1312 O GLY A 88 5.626 15.888 -4.476 1.00 0.00 O ATOM 0 H GLY A 88 5.426 18.379 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.071 18.210 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.735 18.128 -5.510 1.00 0.00 H new TER 1316 GLY A 88