USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 986 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 SER OG : rot 165:sc= 1.93 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.751 X(o=-0.36,f=-0.5) USER MOD Set 2.2: A 64 THR OG1 : rot -61:sc= 0.39 USER MOD Set 3.1: A 50 SER OG : rot 180:sc= -0.0865 USER MOD Set 3.2: A 58 SER OG : rot 106:sc= 0.165 USER MOD Set 3.3: A 60 THR OG1 : rot 180:sc= 0.158 USER MOD Set 4.1: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.214 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 23:sc= 0.709 USER MOD Single : A 10 SER OG : rot 4:sc= 0.696 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.8!) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.318 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.278 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.67 K(o=-2.7,f=-2.1) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.206 K(o=0.21,f=-6.1!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD Single : A 53 TYR OH : rot 136:sc= 0.0503 USER MOD Single : A 57 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.2) USER MOD Single : A 61 ASN : amide:sc= -0.695 K(o=-0.7,f=-2.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 36:sc= 0.0442 USER MOD Single : A 73 THR OG1 : rot -113:sc= 0.19 USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= 0.724 (180deg=0.0481) USER MOD Single : A 78 LYS NZ :NH3+ -152:sc= 0.125 (180deg=-0.0117) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.64) USER MOD Single : A 94 SER OG : rot -47:sc= 0.618 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.32) USER MOD Single : A 99 HIS : no HE2:sc= -2.81 K(o=-2.8,f=-3.3!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.102 USER MOD Single : A 124 LYS NZ :NH3+ 176:sc= 0.213 (180deg=0.208) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.643 -10.826 -6.765 1.00 0.00 N ATOM 2 CA ALA A 1 10.310 -11.287 -7.120 1.00 0.00 C ATOM 3 C ALA A 1 9.288 -10.400 -6.453 1.00 0.00 C ATOM 4 O ALA A 1 9.661 -9.618 -5.593 1.00 0.00 O ATOM 5 CB ALA A 1 10.124 -12.758 -6.668 1.00 0.00 C ATOM 0 H1 ALA A 1 12.111 -10.436 -7.608 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.572 -10.088 -6.035 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.200 -11.624 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 1 10.178 -11.238 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.124 -13.097 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.865 -13.387 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.252 -12.826 -5.588 1.00 0.00 H new ATOM 11 N PHE A 2 7.994 -10.501 -6.837 1.00 0.00 N ATOM 12 CA PHE A 2 6.985 -9.632 -6.238 1.00 0.00 C ATOM 13 C PHE A 2 6.922 -9.815 -4.739 1.00 0.00 C ATOM 14 O PHE A 2 6.878 -8.810 -4.049 1.00 0.00 O ATOM 15 CB PHE A 2 5.566 -9.878 -6.821 1.00 0.00 C ATOM 16 CG PHE A 2 5.477 -9.419 -8.284 1.00 0.00 C ATOM 17 CD1 PHE A 2 5.497 -8.051 -8.582 1.00 0.00 C ATOM 18 CD2 PHE A 2 5.358 -10.343 -9.328 1.00 0.00 C ATOM 19 CE1 PHE A 2 5.308 -7.606 -9.893 1.00 0.00 C ATOM 20 CE2 PHE A 2 5.171 -9.902 -10.643 1.00 0.00 C ATOM 21 CZ PHE A 2 5.127 -8.534 -10.922 1.00 0.00 C ATOM 0 H PHE A 2 7.644 -11.156 -7.536 1.00 0.00 H new ATOM 0 HA PHE A 2 7.292 -8.614 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.322 -10.938 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.827 -9.343 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.660 -7.333 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.411 -11.401 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.302 -6.548 -10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.061 -10.620 -11.442 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.953 -8.194 -11.932 1.00 0.00 H new ATOM 31 N THR A 3 6.905 -11.061 -4.211 1.00 0.00 N ATOM 32 CA THR A 3 6.738 -11.241 -2.764 1.00 0.00 C ATOM 33 C THR A 3 7.675 -10.354 -1.971 1.00 0.00 C ATOM 34 O THR A 3 8.767 -10.108 -2.459 1.00 0.00 O ATOM 35 CB THR A 3 6.921 -12.714 -2.303 1.00 0.00 C ATOM 36 OG1 THR A 3 6.486 -12.814 -0.934 1.00 0.00 O ATOM 37 CG2 THR A 3 8.393 -13.188 -2.439 1.00 0.00 C ATOM 0 H THR A 3 7.002 -11.923 -4.748 1.00 0.00 H new ATOM 0 HA THR A 3 5.707 -10.951 -2.563 1.00 0.00 H new ATOM 0 HB THR A 3 6.323 -13.362 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.592 -13.738 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.474 -14.223 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.703 -13.117 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.036 -12.557 -1.825 1.00 0.00 H new ATOM 45 N GLY A 4 7.279 -9.881 -0.761 1.00 0.00 N ATOM 46 CA GLY A 4 8.193 -9.113 0.087 1.00 0.00 C ATOM 47 C GLY A 4 7.549 -7.854 0.619 1.00 0.00 C ATOM 48 O GLY A 4 6.411 -7.577 0.272 1.00 0.00 O ATOM 0 H GLY A 4 6.349 -10.021 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.520 -9.733 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.084 -8.851 -0.484 1.00 0.00 H new ATOM 52 N LYS A 5 8.290 -7.085 1.454 1.00 0.00 N ATOM 53 CA LYS A 5 7.810 -5.781 1.913 1.00 0.00 C ATOM 54 C LYS A 5 8.389 -4.720 1.011 1.00 0.00 C ATOM 55 O LYS A 5 9.456 -4.948 0.463 1.00 0.00 O ATOM 56 CB LYS A 5 8.242 -5.473 3.369 1.00 0.00 C ATOM 57 CG LYS A 5 7.577 -6.425 4.397 1.00 0.00 C ATOM 58 CD LYS A 5 8.075 -6.110 5.835 1.00 0.00 C ATOM 59 CE LYS A 5 7.314 -6.910 6.931 1.00 0.00 C ATOM 60 NZ LYS A 5 7.476 -8.377 6.808 1.00 0.00 N ATOM 0 H LYS A 5 9.207 -7.350 1.813 1.00 0.00 H new ATOM 0 HA LYS A 5 6.720 -5.793 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.326 -5.556 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.983 -4.442 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.493 -6.320 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.808 -7.460 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.139 -6.335 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.962 -5.043 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.668 -6.594 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.253 -6.664 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.945 -8.850 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.113 -8.690 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.484 -8.623 6.886 1.00 0.00 H new ATOM 74 N TYR A 6 7.706 -3.562 0.851 1.00 0.00 N ATOM 75 CA TYR A 6 8.229 -2.504 -0.012 1.00 0.00 C ATOM 76 C TYR A 6 7.804 -1.169 0.548 1.00 0.00 C ATOM 77 O TYR A 6 6.835 -1.132 1.289 1.00 0.00 O ATOM 78 CB TYR A 6 7.782 -2.625 -1.497 1.00 0.00 C ATOM 79 CG TYR A 6 8.206 -3.942 -2.157 1.00 0.00 C ATOM 80 CD1 TYR A 6 7.549 -5.134 -1.831 1.00 0.00 C ATOM 81 CD2 TYR A 6 9.227 -3.966 -3.112 1.00 0.00 C ATOM 82 CE1 TYR A 6 7.948 -6.337 -2.417 1.00 0.00 C ATOM 83 CE2 TYR A 6 9.557 -5.156 -3.771 1.00 0.00 C ATOM 84 CZ TYR A 6 8.942 -6.355 -3.399 1.00 0.00 C ATOM 85 OH TYR A 6 9.302 -7.571 -3.982 1.00 0.00 O ATOM 0 H TYR A 6 6.815 -3.350 1.300 1.00 0.00 H new ATOM 0 HA TYR A 6 9.315 -2.602 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.697 -2.534 -1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.200 -1.793 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.732 -5.123 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.765 -3.059 -3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.484 -7.262 -2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.287 -5.148 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 6 8.565 -8.210 -3.887 1.00 0.00 H new ATOM 95 N GLU A 7 8.526 -0.078 0.213 1.00 0.00 N ATOM 96 CA GLU A 7 8.169 1.246 0.721 1.00 0.00 C ATOM 97 C GLU A 7 8.130 2.203 -0.436 1.00 0.00 C ATOM 98 O GLU A 7 8.707 1.899 -1.466 1.00 0.00 O ATOM 99 CB GLU A 7 9.220 1.788 1.720 1.00 0.00 C ATOM 100 CG GLU A 7 9.232 0.962 3.028 1.00 0.00 C ATOM 101 CD GLU A 7 9.626 -0.469 2.776 1.00 0.00 C ATOM 102 OE1 GLU A 7 10.541 -0.691 1.938 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.023 -1.383 3.404 1.00 0.00 O ATOM 0 H GLU A 7 9.344 -0.095 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 7 7.208 1.158 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.208 1.761 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.003 2.831 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.927 1.412 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.244 0.993 3.487 1.00 0.00 H new ATOM 110 N ILE A 8 7.457 3.360 -0.250 1.00 0.00 N ATOM 111 CA ILE A 8 7.341 4.338 -1.330 1.00 0.00 C ATOM 112 C ILE A 8 8.399 5.397 -1.126 1.00 0.00 C ATOM 113 O ILE A 8 8.534 5.853 -0.001 1.00 0.00 O ATOM 114 CB ILE A 8 5.899 4.943 -1.391 1.00 0.00 C ATOM 115 CG1 ILE A 8 5.624 5.574 -2.791 1.00 0.00 C ATOM 116 CG2 ILE A 8 5.634 5.975 -0.254 1.00 0.00 C ATOM 117 CD1 ILE A 8 4.218 6.222 -2.924 1.00 0.00 C ATOM 0 H ILE A 8 6.999 3.627 0.621 1.00 0.00 H new ATOM 0 HA ILE A 8 7.505 3.855 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 8 5.202 4.119 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.382 6.330 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.732 4.803 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.619 6.363 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.752 5.488 0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.345 6.797 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.103 6.638 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.451 5.466 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.112 7.017 -2.186 1.00 0.00 H new ATOM 129 N GLU A 9 9.148 5.820 -2.173 1.00 0.00 N ATOM 130 CA GLU A 9 9.989 7.006 -2.026 1.00 0.00 C ATOM 131 C GLU A 9 8.995 8.140 -2.081 1.00 0.00 C ATOM 132 O GLU A 9 8.877 8.878 -1.116 1.00 0.00 O ATOM 133 CB GLU A 9 11.076 7.206 -3.124 1.00 0.00 C ATOM 134 CG GLU A 9 12.425 6.505 -2.808 1.00 0.00 C ATOM 135 CD GLU A 9 12.357 5.004 -2.717 1.00 0.00 C ATOM 136 OE1 GLU A 9 11.281 4.408 -2.989 1.00 0.00 O ATOM 137 OE2 GLU A 9 13.411 4.409 -2.371 1.00 0.00 O ATOM 0 H GLU A 9 9.181 5.371 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 9 10.573 6.932 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.695 6.828 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.254 8.273 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.147 6.775 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.807 6.894 -1.864 1.00 0.00 H new ATOM 144 N SER A 10 8.264 8.276 -3.212 1.00 0.00 N ATOM 145 CA SER A 10 7.244 9.316 -3.311 1.00 0.00 C ATOM 146 C SER A 10 6.233 8.952 -4.375 1.00 0.00 C ATOM 147 O SER A 10 6.567 8.172 -5.253 1.00 0.00 O ATOM 148 CB SER A 10 7.861 10.693 -3.677 1.00 0.00 C ATOM 149 OG SER A 10 8.704 11.220 -2.638 1.00 0.00 O ATOM 0 H SER A 10 8.365 7.691 -4.041 1.00 0.00 H new ATOM 0 HA SER A 10 6.765 9.390 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.442 10.594 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.059 11.402 -3.883 1.00 0.00 H new ATOM 0 HG SER A 10 8.781 10.563 -1.915 1.00 0.00 H new ATOM 155 N GLU A 11 5.005 9.519 -4.302 1.00 0.00 N ATOM 156 CA GLU A 11 4.004 9.310 -5.350 1.00 0.00 C ATOM 157 C GLU A 11 4.142 10.430 -6.354 1.00 0.00 C ATOM 158 O GLU A 11 4.883 11.358 -6.070 1.00 0.00 O ATOM 159 CB GLU A 11 2.572 9.212 -4.746 1.00 0.00 C ATOM 160 CG GLU A 11 1.871 10.573 -4.483 1.00 0.00 C ATOM 161 CD GLU A 11 2.570 11.494 -3.514 1.00 0.00 C ATOM 162 OE1 GLU A 11 3.382 11.002 -2.687 1.00 0.00 O ATOM 163 OE2 GLU A 11 2.309 12.726 -3.568 1.00 0.00 O ATOM 0 H GLU A 11 4.696 10.116 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 11 4.171 8.360 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.949 8.625 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.628 8.663 -3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.760 11.093 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.866 10.377 -4.108 1.00 0.00 H new ATOM 170 N LYS A 12 3.456 10.375 -7.522 1.00 0.00 N ATOM 171 CA LYS A 12 3.647 11.417 -8.535 1.00 0.00 C ATOM 172 C LYS A 12 2.423 11.534 -9.423 1.00 0.00 C ATOM 173 O LYS A 12 1.901 10.501 -9.810 1.00 0.00 O ATOM 174 CB LYS A 12 4.951 11.071 -9.312 1.00 0.00 C ATOM 175 CG LYS A 12 5.308 12.071 -10.453 1.00 0.00 C ATOM 176 CD LYS A 12 4.776 11.604 -11.838 1.00 0.00 C ATOM 177 CE LYS A 12 4.914 12.685 -12.947 1.00 0.00 C ATOM 178 NZ LYS A 12 6.321 13.031 -13.257 1.00 0.00 N ATOM 0 H LYS A 12 2.790 9.644 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 12 3.762 12.402 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.781 11.034 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.851 10.073 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.891 13.050 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.390 12.189 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.317 10.709 -12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.727 11.325 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.426 12.329 -13.854 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.386 13.586 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.344 13.756 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.784 13.399 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.823 12.181 -13.584 1.00 0.00 H new ATOM 192 N ASN A 13 1.944 12.761 -9.747 1.00 0.00 N ATOM 193 CA ASN A 13 0.754 12.915 -10.589 1.00 0.00 C ATOM 194 C ASN A 13 -0.442 12.248 -9.952 1.00 0.00 C ATOM 195 O ASN A 13 -1.208 11.591 -10.638 1.00 0.00 O ATOM 196 CB ASN A 13 1.044 12.464 -12.045 1.00 0.00 C ATOM 197 CG ASN A 13 -0.021 12.832 -13.050 1.00 0.00 C ATOM 198 OD1 ASN A 13 -1.095 13.274 -12.674 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.268 12.653 -14.359 1.00 0.00 N ATOM 0 H ASN A 13 2.363 13.639 -9.439 1.00 0.00 H new ATOM 0 HA ASN A 13 0.493 13.971 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.990 12.902 -12.364 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.174 11.382 -12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.423 12.890 -15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.177 12.281 -14.634 1.00 0.00 H new ATOM 206 N TYR A 14 -0.619 12.432 -8.622 1.00 0.00 N ATOM 207 CA TYR A 14 -1.825 11.940 -7.965 1.00 0.00 C ATOM 208 C TYR A 14 -2.930 12.947 -8.160 1.00 0.00 C ATOM 209 O TYR A 14 -4.047 12.550 -8.445 1.00 0.00 O ATOM 210 CB TYR A 14 -1.624 11.693 -6.442 1.00 0.00 C ATOM 211 CG TYR A 14 -1.588 13.002 -5.639 1.00 0.00 C ATOM 212 CD1 TYR A 14 -2.782 13.567 -5.180 1.00 0.00 C ATOM 213 CD2 TYR A 14 -0.379 13.650 -5.361 1.00 0.00 C ATOM 214 CE1 TYR A 14 -2.774 14.798 -4.517 1.00 0.00 C ATOM 215 CE2 TYR A 14 -0.370 14.878 -4.694 1.00 0.00 C ATOM 216 CZ TYR A 14 -1.571 15.483 -4.313 1.00 0.00 C ATOM 217 OH TYR A 14 -1.550 16.757 -3.742 1.00 0.00 O ATOM 0 H TYR A 14 0.045 12.905 -8.009 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.078 10.981 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.431 11.062 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.694 11.147 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.716 13.049 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.554 13.198 -5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.701 15.222 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.570 15.362 -4.472 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.307 16.852 -3.127 1.00 0.00 H new ATOM 227 N ASP A 15 -2.654 14.259 -7.990 1.00 0.00 N ATOM 228 CA ASP A 15 -3.749 15.221 -7.947 1.00 0.00 C ATOM 229 C ASP A 15 -4.532 15.254 -9.234 1.00 0.00 C ATOM 230 O ASP A 15 -5.751 15.263 -9.166 1.00 0.00 O ATOM 231 CB ASP A 15 -3.248 16.657 -7.656 1.00 0.00 C ATOM 232 CG ASP A 15 -2.294 17.142 -8.716 1.00 0.00 C ATOM 233 OD1 ASP A 15 -1.190 16.544 -8.837 1.00 0.00 O ATOM 234 OD2 ASP A 15 -2.636 18.117 -9.440 1.00 0.00 O ATOM 0 H ASP A 15 -1.719 14.653 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.395 14.884 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.100 17.334 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.754 16.680 -6.685 1.00 0.00 H new ATOM 239 N GLU A 16 -3.863 15.287 -10.407 1.00 0.00 N ATOM 240 CA GLU A 16 -4.609 15.415 -11.659 1.00 0.00 C ATOM 241 C GLU A 16 -5.334 14.124 -11.957 1.00 0.00 C ATOM 242 O GLU A 16 -6.391 14.161 -12.568 1.00 0.00 O ATOM 243 CB GLU A 16 -3.671 15.825 -12.828 1.00 0.00 C ATOM 244 CG GLU A 16 -4.438 16.100 -14.151 1.00 0.00 C ATOM 245 CD GLU A 16 -5.535 17.122 -13.989 1.00 0.00 C ATOM 246 OE1 GLU A 16 -5.274 18.191 -13.376 1.00 0.00 O ATOM 247 OE2 GLU A 16 -6.668 16.859 -14.473 1.00 0.00 O ATOM 0 H GLU A 16 -2.849 15.229 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.349 16.208 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.114 16.718 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.940 15.034 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.734 16.446 -14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.868 15.168 -14.517 1.00 0.00 H new ATOM 254 N PHE A 17 -4.791 12.965 -11.522 1.00 0.00 N ATOM 255 CA PHE A 17 -5.502 11.704 -11.737 1.00 0.00 C ATOM 256 C PHE A 17 -6.723 11.694 -10.852 1.00 0.00 C ATOM 257 O PHE A 17 -7.814 11.415 -11.326 1.00 0.00 O ATOM 258 CB PHE A 17 -4.572 10.508 -11.421 1.00 0.00 C ATOM 259 CG PHE A 17 -5.276 9.168 -11.685 1.00 0.00 C ATOM 260 CD1 PHE A 17 -6.101 8.607 -10.704 1.00 0.00 C ATOM 261 CD2 PHE A 17 -5.084 8.488 -12.894 1.00 0.00 C ATOM 262 CE1 PHE A 17 -6.680 7.351 -10.906 1.00 0.00 C ATOM 263 CE2 PHE A 17 -5.676 7.238 -13.101 1.00 0.00 C ATOM 264 CZ PHE A 17 -6.477 6.670 -12.108 1.00 0.00 C ATOM 0 H PHE A 17 -3.896 12.884 -11.039 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.810 11.613 -12.779 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.671 10.574 -12.031 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.256 10.556 -10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.291 9.146 -9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.476 8.931 -13.670 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.286 6.906 -10.131 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.514 6.711 -14.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.938 5.707 -12.269 1.00 0.00 H new ATOM 274 N MET A 18 -6.546 12.013 -9.552 1.00 0.00 N ATOM 275 CA MET A 18 -7.686 12.084 -8.649 1.00 0.00 C ATOM 276 C MET A 18 -8.639 13.181 -9.062 1.00 0.00 C ATOM 277 O MET A 18 -9.821 13.055 -8.786 1.00 0.00 O ATOM 278 CB MET A 18 -7.229 12.311 -7.186 1.00 0.00 C ATOM 279 CG MET A 18 -6.432 11.101 -6.639 1.00 0.00 C ATOM 280 SD MET A 18 -6.190 11.337 -4.853 1.00 0.00 S ATOM 281 CE MET A 18 -5.955 9.593 -4.417 1.00 0.00 C ATOM 0 H MET A 18 -5.643 12.219 -9.124 1.00 0.00 H new ATOM 0 HA MET A 18 -8.205 11.127 -8.708 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.611 13.207 -7.133 1.00 0.00 H new ATOM 0 HB3 MET A 18 -8.101 12.487 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.972 10.173 -6.830 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.470 11.020 -7.145 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.787 9.506 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.844 9.026 -4.693 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.092 9.197 -4.952 1.00 0.00 H new ATOM 291 N LYS A 19 -8.170 14.259 -9.731 1.00 0.00 N ATOM 292 CA LYS A 19 -9.105 15.267 -10.226 1.00 0.00 C ATOM 293 C LYS A 19 -10.050 14.536 -11.148 1.00 0.00 C ATOM 294 O LYS A 19 -11.252 14.658 -10.970 1.00 0.00 O ATOM 295 CB LYS A 19 -8.367 16.446 -10.924 1.00 0.00 C ATOM 296 CG LYS A 19 -9.238 17.703 -11.223 1.00 0.00 C ATOM 297 CD LYS A 19 -10.349 17.549 -12.302 1.00 0.00 C ATOM 298 CE LYS A 19 -9.810 17.100 -13.687 1.00 0.00 C ATOM 299 NZ LYS A 19 -10.870 17.124 -14.723 1.00 0.00 N ATOM 0 H LYS A 19 -7.186 14.441 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.656 15.738 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.528 16.748 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.949 16.084 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.710 18.018 -10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.574 18.510 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.084 16.823 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.869 18.500 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.992 17.754 -13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.400 16.093 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.472 16.818 -15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.639 16.481 -14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.243 18.090 -14.815 1.00 0.00 H new ATOM 313 N ARG A 20 -9.547 13.743 -12.123 1.00 0.00 N ATOM 314 CA ARG A 20 -10.472 13.030 -13.003 1.00 0.00 C ATOM 315 C ARG A 20 -11.337 12.073 -12.211 1.00 0.00 C ATOM 316 O ARG A 20 -12.504 11.960 -12.554 1.00 0.00 O ATOM 317 CB ARG A 20 -9.788 12.273 -14.174 1.00 0.00 C ATOM 318 CG ARG A 20 -9.190 13.256 -15.220 1.00 0.00 C ATOM 319 CD ARG A 20 -8.801 12.526 -16.534 1.00 0.00 C ATOM 320 NE ARG A 20 -8.352 13.463 -17.567 1.00 0.00 N ATOM 321 CZ ARG A 20 -8.101 13.110 -18.811 1.00 0.00 C ATOM 322 NH1 ARG A 20 -8.202 11.870 -19.235 1.00 0.00 N ATOM 323 NH2 ARG A 20 -7.731 14.034 -19.668 1.00 0.00 N ATOM 0 H ARG A 20 -8.555 13.591 -12.307 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.088 13.806 -13.458 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.998 11.633 -13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.514 11.621 -14.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.915 14.040 -15.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.310 13.744 -14.800 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.009 11.806 -16.328 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.657 11.962 -16.903 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.227 14.442 -17.309 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.486 11.132 -18.590 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.997 11.646 -20.209 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.643 15.004 -19.366 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.532 13.781 -20.636 1.00 0.00 H new ATOM 337 N LEU A 21 -10.831 11.385 -11.159 1.00 0.00 N ATOM 338 CA LEU A 21 -11.738 10.560 -10.356 1.00 0.00 C ATOM 339 C LEU A 21 -12.893 11.437 -9.919 1.00 0.00 C ATOM 340 O LEU A 21 -14.019 10.966 -9.943 1.00 0.00 O ATOM 341 CB LEU A 21 -11.171 9.902 -9.072 1.00 0.00 C ATOM 342 CG LEU A 21 -10.081 8.826 -9.339 1.00 0.00 C ATOM 343 CD1 LEU A 21 -9.444 8.402 -7.982 1.00 0.00 C ATOM 344 CD2 LEU A 21 -10.588 7.556 -10.082 1.00 0.00 C ATOM 0 H LEU A 21 -9.854 11.387 -10.865 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.995 9.730 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.751 10.679 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.991 9.444 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.354 9.292 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.678 7.647 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.993 9.272 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.215 7.990 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.759 6.862 -10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.367 7.075 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.994 7.840 -11.053 1.00 0.00 H new ATOM 356 N ALA A 22 -12.593 12.702 -9.532 1.00 0.00 N ATOM 357 CA ALA A 22 -13.606 13.678 -9.124 1.00 0.00 C ATOM 358 C ALA A 22 -13.782 13.590 -7.628 1.00 0.00 C ATOM 359 O ALA A 22 -14.884 13.318 -7.178 1.00 0.00 O ATOM 360 CB ALA A 22 -14.944 13.633 -9.911 1.00 0.00 C ATOM 0 H ALA A 22 -11.640 13.063 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.231 14.665 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.619 14.397 -9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.751 13.819 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.403 12.651 -9.793 1.00 0.00 H new ATOM 366 N LEU A 23 -12.695 13.835 -6.853 1.00 0.00 N ATOM 367 CA LEU A 23 -12.805 13.874 -5.396 1.00 0.00 C ATOM 368 C LEU A 23 -12.929 15.344 -5.041 1.00 0.00 C ATOM 369 O LEU A 23 -12.310 16.118 -5.754 1.00 0.00 O ATOM 370 CB LEU A 23 -11.580 13.241 -4.671 1.00 0.00 C ATOM 371 CG LEU A 23 -10.965 11.982 -5.347 1.00 0.00 C ATOM 372 CD1 LEU A 23 -9.805 11.418 -4.475 1.00 0.00 C ATOM 373 CD2 LEU A 23 -12.029 10.878 -5.572 1.00 0.00 C ATOM 0 H LEU A 23 -11.757 14.004 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.662 13.285 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.802 13.999 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.880 12.975 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.579 12.286 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.382 10.537 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.031 12.177 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.189 11.144 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.563 10.014 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.453 10.581 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.821 11.261 -6.216 1.00 0.00 H new ATOM 385 N PRO A 24 -13.684 15.809 -4.013 1.00 0.00 N ATOM 386 CA PRO A 24 -13.880 17.244 -3.850 1.00 0.00 C ATOM 387 C PRO A 24 -12.613 18.049 -3.620 1.00 0.00 C ATOM 388 O PRO A 24 -12.188 18.711 -4.555 1.00 0.00 O ATOM 389 CB PRO A 24 -14.920 17.282 -2.696 1.00 0.00 C ATOM 390 CG PRO A 24 -14.799 15.904 -1.995 1.00 0.00 C ATOM 391 CD PRO A 24 -14.444 14.927 -3.140 1.00 0.00 C ATOM 0 HA PRO A 24 -14.227 17.742 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.710 18.096 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.928 17.442 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.026 15.915 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.732 15.623 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.855 14.078 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.330 14.522 -3.629 1.00 0.00 H new ATOM 399 N SER A 25 -11.994 18.048 -2.415 1.00 0.00 N ATOM 400 CA SER A 25 -10.859 18.940 -2.162 1.00 0.00 C ATOM 401 C SER A 25 -10.054 18.478 -0.965 1.00 0.00 C ATOM 402 O SER A 25 -8.880 18.192 -1.138 1.00 0.00 O ATOM 403 CB SER A 25 -11.356 20.392 -1.952 1.00 0.00 C ATOM 404 OG SER A 25 -10.231 21.225 -1.619 1.00 0.00 O ATOM 0 H SER A 25 -12.259 17.454 -1.629 1.00 0.00 H new ATOM 0 HA SER A 25 -10.206 18.913 -3.034 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.842 20.759 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.099 20.425 -1.155 1.00 0.00 H new ATOM 0 HG SER A 25 -10.535 22.147 -1.485 1.00 0.00 H new ATOM 410 N ASP A 26 -10.637 18.371 0.254 1.00 0.00 N ATOM 411 CA ASP A 26 -9.885 17.769 1.354 1.00 0.00 C ATOM 412 C ASP A 26 -9.474 16.378 0.924 1.00 0.00 C ATOM 413 O ASP A 26 -8.362 15.964 1.210 1.00 0.00 O ATOM 414 CB ASP A 26 -10.705 17.674 2.669 1.00 0.00 C ATOM 415 CG ASP A 26 -11.915 16.791 2.496 1.00 0.00 C ATOM 416 OD1 ASP A 26 -12.884 17.241 1.826 1.00 0.00 O ATOM 417 OD2 ASP A 26 -11.904 15.643 3.016 1.00 0.00 O ATOM 0 H ASP A 26 -11.581 18.681 0.484 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.025 18.404 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.075 17.279 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.020 18.671 2.977 1.00 0.00 H new ATOM 422 N ALA A 27 -10.372 15.653 0.220 1.00 0.00 N ATOM 423 CA ALA A 27 -10.025 14.329 -0.284 1.00 0.00 C ATOM 424 C ALA A 27 -8.819 14.379 -1.197 1.00 0.00 C ATOM 425 O ALA A 27 -7.973 13.504 -1.106 1.00 0.00 O ATOM 426 CB ALA A 27 -11.219 13.725 -1.061 1.00 0.00 C ATOM 0 H ALA A 27 -11.318 15.963 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.784 13.705 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.949 12.737 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.080 13.640 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.471 14.372 -1.901 1.00 0.00 H new ATOM 432 N ILE A 28 -8.712 15.393 -2.085 1.00 0.00 N ATOM 433 CA ILE A 28 -7.513 15.501 -2.917 1.00 0.00 C ATOM 434 C ILE A 28 -6.345 15.724 -1.982 1.00 0.00 C ATOM 435 O ILE A 28 -5.340 15.037 -2.083 1.00 0.00 O ATOM 436 CB ILE A 28 -7.561 16.672 -3.956 1.00 0.00 C ATOM 437 CG1 ILE A 28 -8.759 16.591 -4.955 1.00 0.00 C ATOM 438 CG2 ILE A 28 -6.208 16.791 -4.714 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.656 15.426 -5.970 1.00 0.00 C ATOM 0 H ILE A 28 -9.415 16.117 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.426 14.585 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.728 17.579 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.684 16.485 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.826 17.531 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.263 17.610 -5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.407 16.986 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.004 15.860 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.525 15.439 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.749 15.540 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.621 14.478 -5.433 1.00 0.00 H new ATOM 451 N ASP A 29 -6.472 16.706 -1.065 1.00 0.00 N ATOM 452 CA ASP A 29 -5.339 17.090 -0.229 1.00 0.00 C ATOM 453 C ASP A 29 -4.819 15.943 0.602 1.00 0.00 C ATOM 454 O ASP A 29 -3.610 15.819 0.701 1.00 0.00 O ATOM 455 CB ASP A 29 -5.697 18.245 0.743 1.00 0.00 C ATOM 456 CG ASP A 29 -4.483 18.660 1.536 1.00 0.00 C ATOM 457 OD1 ASP A 29 -3.471 19.069 0.903 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.524 18.580 2.794 1.00 0.00 O ATOM 0 H ASP A 29 -7.330 17.230 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.570 17.414 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.080 19.096 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.490 17.927 1.420 1.00 0.00 H new ATOM 463 N LYS A 30 -5.673 15.098 1.225 1.00 0.00 N ATOM 464 CA LYS A 30 -5.125 14.065 2.103 1.00 0.00 C ATOM 465 C LYS A 30 -4.163 13.173 1.345 1.00 0.00 C ATOM 466 O LYS A 30 -3.226 12.678 1.952 1.00 0.00 O ATOM 467 CB LYS A 30 -6.187 13.239 2.883 1.00 0.00 C ATOM 468 CG LYS A 30 -7.045 12.293 1.993 1.00 0.00 C ATOM 469 CD LYS A 30 -7.963 11.333 2.814 1.00 0.00 C ATOM 470 CE LYS A 30 -9.415 11.844 3.060 1.00 0.00 C ATOM 471 NZ LYS A 30 -9.511 13.175 3.703 1.00 0.00 N ATOM 0 H LYS A 30 -6.689 15.113 1.138 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.578 14.600 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.681 12.643 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.851 13.926 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.664 12.895 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.383 11.700 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.016 10.376 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.493 11.146 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.938 11.881 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.939 11.118 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.512 13.430 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.045 13.146 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.044 13.885 3.103 1.00 0.00 H new ATOM 485 N ALA A 31 -4.360 12.963 0.022 1.00 0.00 N ATOM 486 CA ALA A 31 -3.395 12.167 -0.739 1.00 0.00 C ATOM 487 C ALA A 31 -2.019 12.793 -0.694 1.00 0.00 C ATOM 488 O ALA A 31 -1.040 12.063 -0.699 1.00 0.00 O ATOM 489 CB ALA A 31 -3.835 12.009 -2.215 1.00 0.00 C ATOM 0 H ALA A 31 -5.149 13.322 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.357 11.182 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.097 11.413 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.803 11.510 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.914 12.992 -2.678 1.00 0.00 H new ATOM 495 N ARG A 32 -1.906 14.141 -0.644 1.00 0.00 N ATOM 496 CA ARG A 32 -0.590 14.765 -0.499 1.00 0.00 C ATOM 497 C ARG A 32 0.093 14.216 0.735 1.00 0.00 C ATOM 498 O ARG A 32 -0.607 13.853 1.666 1.00 0.00 O ATOM 499 CB ARG A 32 -0.717 16.311 -0.353 1.00 0.00 C ATOM 500 CG ARG A 32 0.618 17.108 -0.285 1.00 0.00 C ATOM 501 CD ARG A 32 1.441 17.103 -1.603 1.00 0.00 C ATOM 502 NE ARG A 32 0.786 17.834 -2.691 1.00 0.00 N ATOM 503 CZ ARG A 32 1.298 17.964 -3.897 1.00 0.00 C ATOM 504 NH1 ARG A 32 2.461 17.455 -4.235 1.00 0.00 N ATOM 505 NH2 ARG A 32 0.619 18.629 -4.806 1.00 0.00 N ATOM 0 H ARG A 32 -2.689 14.792 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.006 14.541 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.298 16.688 -1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.289 16.524 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.396 18.140 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.233 16.694 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.420 17.543 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.610 16.072 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.118 18.267 -2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.008 16.933 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.817 17.582 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.288 19.033 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.999 18.741 -5.746 1.00 0.00 H new ATOM 519 N ASN A 33 1.446 14.152 0.759 1.00 0.00 N ATOM 520 CA ASN A 33 2.167 13.728 1.960 1.00 0.00 C ATOM 521 C ASN A 33 1.644 12.438 2.556 1.00 0.00 C ATOM 522 O ASN A 33 1.670 12.297 3.767 1.00 0.00 O ATOM 523 CB ASN A 33 2.263 14.911 2.964 1.00 0.00 C ATOM 524 CG ASN A 33 0.908 15.434 3.382 1.00 0.00 C ATOM 525 OD1 ASN A 33 0.543 16.533 2.991 1.00 0.00 O ATOM 526 ND2 ASN A 33 0.127 14.674 4.178 1.00 0.00 N ATOM 0 H ASN A 33 2.044 14.387 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 33 3.186 13.467 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.812 14.588 3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.836 15.720 2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.791 15.014 4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.454 13.760 4.491 1.00 0.00 H new ATOM 533 N LEU A 34 1.181 11.483 1.716 1.00 0.00 N ATOM 534 CA LEU A 34 0.747 10.178 2.222 1.00 0.00 C ATOM 535 C LEU A 34 1.917 9.345 2.713 1.00 0.00 C ATOM 536 O LEU A 34 3.045 9.651 2.364 1.00 0.00 O ATOM 537 CB LEU A 34 -0.137 9.402 1.200 1.00 0.00 C ATOM 538 CG LEU A 34 0.611 8.689 0.028 1.00 0.00 C ATOM 539 CD1 LEU A 34 -0.432 8.160 -0.994 1.00 0.00 C ATOM 540 CD2 LEU A 34 1.644 9.553 -0.740 1.00 0.00 C ATOM 0 H LEU A 34 1.102 11.596 0.705 1.00 0.00 H new ATOM 0 HA LEU A 34 0.111 10.377 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.709 8.652 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.855 10.101 0.771 1.00 0.00 H new ATOM 0 HG LEU A 34 1.183 7.893 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.083 7.661 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.098 7.453 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.014 8.995 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.101 8.957 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.142 10.415 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.416 9.895 -0.051 1.00 0.00 H new ATOM 552 N LYS A 35 1.653 8.307 3.547 1.00 0.00 N ATOM 553 CA LYS A 35 2.708 7.477 4.137 1.00 0.00 C ATOM 554 C LYS A 35 2.381 6.039 3.803 1.00 0.00 C ATOM 555 O LYS A 35 2.143 5.231 4.687 1.00 0.00 O ATOM 556 CB LYS A 35 2.830 7.651 5.680 1.00 0.00 C ATOM 557 CG LYS A 35 3.358 9.046 6.116 1.00 0.00 C ATOM 558 CD LYS A 35 2.304 10.185 6.044 1.00 0.00 C ATOM 559 CE LYS A 35 1.255 10.156 7.189 1.00 0.00 C ATOM 560 NZ LYS A 35 0.329 11.308 7.089 1.00 0.00 N ATOM 0 H LYS A 35 0.710 8.032 3.821 1.00 0.00 H new ATOM 0 HA LYS A 35 3.670 7.783 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.852 7.485 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.497 6.882 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.730 8.976 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.206 9.313 5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.821 11.145 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.784 10.123 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.689 9.225 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.763 10.176 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.362 11.266 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.869 12.194 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.171 11.273 6.178 1.00 0.00 H new ATOM 574 N ILE A 36 2.368 5.710 2.493 1.00 0.00 N ATOM 575 CA ILE A 36 2.086 4.331 2.088 1.00 0.00 C ATOM 576 C ILE A 36 3.270 3.450 2.425 1.00 0.00 C ATOM 577 O ILE A 36 4.393 3.876 2.210 1.00 0.00 O ATOM 578 CB ILE A 36 1.738 4.177 0.567 1.00 0.00 C ATOM 579 CG1 ILE A 36 0.237 4.523 0.329 1.00 0.00 C ATOM 580 CG2 ILE A 36 2.085 2.760 0.015 1.00 0.00 C ATOM 581 CD1 ILE A 36 -0.167 4.611 -1.166 1.00 0.00 C ATOM 0 H ILE A 36 2.544 6.361 1.727 1.00 0.00 H new ATOM 0 HA ILE A 36 1.200 4.023 2.643 1.00 0.00 H new ATOM 0 HB ILE A 36 2.359 4.881 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.380 3.768 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.015 5.475 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.824 2.707 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.152 2.574 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.521 2.007 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.226 4.856 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.421 5.387 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.020 3.653 -1.651 1.00 0.00 H new ATOM 593 N ILE A 37 3.013 2.203 2.896 1.00 0.00 N ATOM 594 CA ILE A 37 4.019 1.141 2.833 1.00 0.00 C ATOM 595 C ILE A 37 3.421 0.131 1.882 1.00 0.00 C ATOM 596 O ILE A 37 2.250 -0.174 2.040 1.00 0.00 O ATOM 597 CB ILE A 37 4.296 0.471 4.209 1.00 0.00 C ATOM 598 CG1 ILE A 37 4.910 1.533 5.167 1.00 0.00 C ATOM 599 CG2 ILE A 37 5.214 -0.776 4.049 1.00 0.00 C ATOM 600 CD1 ILE A 37 5.247 0.969 6.572 1.00 0.00 C ATOM 0 H ILE A 37 2.127 1.922 3.316 1.00 0.00 H new ATOM 0 HA ILE A 37 4.983 1.539 2.515 1.00 0.00 H new ATOM 0 HB ILE A 37 3.362 0.110 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.818 1.936 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.211 2.363 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.391 -1.225 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.729 -1.504 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.165 -0.474 3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.671 1.761 7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.338 0.591 7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.969 0.158 6.475 1.00 0.00 H new ATOM 612 N SER A 38 4.188 -0.389 0.900 1.00 0.00 N ATOM 613 CA SER A 38 3.631 -1.301 -0.088 1.00 0.00 C ATOM 614 C SER A 38 4.053 -2.685 0.334 1.00 0.00 C ATOM 615 O SER A 38 5.238 -2.952 0.250 1.00 0.00 O ATOM 616 CB SER A 38 4.186 -0.862 -1.469 1.00 0.00 C ATOM 617 OG SER A 38 5.550 -0.432 -1.309 1.00 0.00 O ATOM 0 H SER A 38 5.181 -0.188 0.781 1.00 0.00 H new ATOM 0 HA SER A 38 2.544 -1.292 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.132 -1.689 -2.177 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.581 -0.053 -1.878 1.00 0.00 H new ATOM 0 HG SER A 38 5.909 -0.154 -2.177 1.00 0.00 H new ATOM 623 N GLU A 39 3.140 -3.576 0.795 1.00 0.00 N ATOM 624 CA GLU A 39 3.552 -4.924 1.190 1.00 0.00 C ATOM 625 C GLU A 39 2.751 -5.899 0.371 1.00 0.00 C ATOM 626 O GLU A 39 1.572 -5.642 0.181 1.00 0.00 O ATOM 627 CB GLU A 39 3.355 -5.171 2.709 1.00 0.00 C ATOM 628 CG GLU A 39 3.657 -6.647 3.100 1.00 0.00 C ATOM 629 CD GLU A 39 3.668 -6.863 4.592 1.00 0.00 C ATOM 630 OE1 GLU A 39 3.068 -6.038 5.332 1.00 0.00 O ATOM 631 OE2 GLU A 39 4.282 -7.870 5.040 1.00 0.00 O ATOM 0 H GLU A 39 2.144 -3.383 0.897 1.00 0.00 H new ATOM 0 HA GLU A 39 4.618 -5.053 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.008 -4.505 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.331 -4.924 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.909 -7.299 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.623 -6.937 2.688 1.00 0.00 H new ATOM 638 N VAL A 40 3.370 -6.998 -0.124 1.00 0.00 N ATOM 639 CA VAL A 40 2.649 -7.912 -1.002 1.00 0.00 C ATOM 640 C VAL A 40 3.101 -9.321 -0.704 1.00 0.00 C ATOM 641 O VAL A 40 4.239 -9.479 -0.287 1.00 0.00 O ATOM 642 CB VAL A 40 2.897 -7.551 -2.503 1.00 0.00 C ATOM 643 CG1 VAL A 40 2.891 -6.015 -2.731 1.00 0.00 C ATOM 644 CG2 VAL A 40 4.237 -8.126 -3.032 1.00 0.00 C ATOM 0 H VAL A 40 4.337 -7.257 0.070 1.00 0.00 H new ATOM 0 HA VAL A 40 1.577 -7.827 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 40 2.075 -8.005 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.067 -5.803 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.925 -5.607 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.678 -5.555 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.364 -7.849 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.063 -7.722 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.227 -9.212 -2.943 1.00 0.00 H new ATOM 654 N LYS A 41 2.242 -10.338 -0.937 1.00 0.00 N ATOM 655 CA LYS A 41 2.698 -11.725 -0.894 1.00 0.00 C ATOM 656 C LYS A 41 2.286 -12.332 -2.211 1.00 0.00 C ATOM 657 O LYS A 41 1.261 -11.913 -2.725 1.00 0.00 O ATOM 658 CB LYS A 41 2.075 -12.512 0.290 1.00 0.00 C ATOM 659 CG LYS A 41 2.577 -13.983 0.340 1.00 0.00 C ATOM 660 CD LYS A 41 1.953 -14.775 1.522 1.00 0.00 C ATOM 661 CE LYS A 41 2.456 -16.245 1.538 1.00 0.00 C ATOM 662 NZ LYS A 41 1.840 -17.022 2.638 1.00 0.00 N ATOM 0 H LYS A 41 1.252 -10.219 -1.151 1.00 0.00 H new ATOM 0 HA LYS A 41 3.776 -11.769 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.322 -12.013 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.989 -12.502 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.332 -14.481 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.663 -13.992 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.208 -14.290 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.866 -14.760 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.225 -16.719 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.541 -16.258 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.199 -17.998 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.081 -16.584 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.807 -17.031 2.520 1.00 0.00 H new ATOM 676 N GLN A 42 3.060 -13.298 -2.758 1.00 0.00 N ATOM 677 CA GLN A 42 2.688 -13.938 -4.016 1.00 0.00 C ATOM 678 C GLN A 42 2.682 -15.428 -3.767 1.00 0.00 C ATOM 679 O GLN A 42 3.566 -15.876 -3.052 1.00 0.00 O ATOM 680 CB GLN A 42 3.719 -13.529 -5.101 1.00 0.00 C ATOM 681 CG GLN A 42 3.255 -13.884 -6.539 1.00 0.00 C ATOM 682 CD GLN A 42 2.982 -15.348 -6.787 1.00 0.00 C ATOM 683 OE1 GLN A 42 1.885 -15.668 -7.218 1.00 0.00 O ATOM 684 NE2 GLN A 42 3.946 -16.260 -6.538 1.00 0.00 N ATOM 0 H GLN A 42 3.929 -13.639 -2.347 1.00 0.00 H new ATOM 0 HA GLN A 42 1.703 -13.632 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.900 -12.456 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.668 -14.025 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.349 -13.320 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.018 -13.550 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.852 -15.959 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.768 -17.250 -6.710 1.00 0.00 H new ATOM 693 N ASP A 43 1.710 -16.200 -4.309 1.00 0.00 N ATOM 694 CA ASP A 43 1.621 -17.624 -3.979 1.00 0.00 C ATOM 695 C ASP A 43 1.235 -18.402 -5.224 1.00 0.00 C ATOM 696 O ASP A 43 1.782 -18.072 -6.263 1.00 0.00 O ATOM 697 CB ASP A 43 0.672 -17.717 -2.752 1.00 0.00 C ATOM 698 CG ASP A 43 0.841 -19.014 -1.998 1.00 0.00 C ATOM 699 OD1 ASP A 43 0.414 -20.072 -2.530 1.00 0.00 O ATOM 700 OD2 ASP A 43 1.402 -18.989 -0.868 1.00 0.00 O ATOM 0 H ASP A 43 0.999 -15.863 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 43 2.560 -18.091 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.866 -16.880 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.361 -17.625 -3.086 1.00 0.00 H new ATOM 705 N GLY A 44 0.342 -19.421 -5.201 1.00 0.00 N ATOM 706 CA GLY A 44 0.047 -20.160 -6.430 1.00 0.00 C ATOM 707 C GLY A 44 -0.594 -19.236 -7.439 1.00 0.00 C ATOM 708 O GLY A 44 -1.795 -19.039 -7.343 1.00 0.00 O ATOM 0 H GLY A 44 -0.165 -19.734 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.964 -20.582 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.619 -20.995 -6.213 1.00 0.00 H new ATOM 712 N GLN A 45 0.185 -18.648 -8.384 1.00 0.00 N ATOM 713 CA GLN A 45 -0.357 -17.669 -9.331 1.00 0.00 C ATOM 714 C GLN A 45 -1.363 -16.741 -8.689 1.00 0.00 C ATOM 715 O GLN A 45 -2.320 -16.350 -9.340 1.00 0.00 O ATOM 716 CB GLN A 45 -0.904 -18.364 -10.611 1.00 0.00 C ATOM 717 CG GLN A 45 -2.112 -19.298 -10.332 1.00 0.00 C ATOM 718 CD GLN A 45 -2.663 -19.835 -11.631 1.00 0.00 C ATOM 719 OE1 GLN A 45 -3.712 -19.383 -12.064 1.00 0.00 O ATOM 720 NE2 GLN A 45 -1.970 -20.799 -12.277 1.00 0.00 N ATOM 0 H GLN A 45 1.180 -18.840 -8.501 1.00 0.00 H new ATOM 0 HA GLN A 45 0.468 -17.031 -9.647 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.201 -17.602 -11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.104 -18.943 -11.072 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.803 -20.123 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.888 -18.751 -9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.097 -21.151 -11.883 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.320 -21.175 -13.159 1.00 0.00 H new ATOM 729 N ASN A 46 -1.147 -16.387 -7.402 1.00 0.00 N ATOM 730 CA ASN A 46 -2.131 -15.617 -6.649 1.00 0.00 C ATOM 731 C ASN A 46 -1.407 -14.485 -5.978 1.00 0.00 C ATOM 732 O ASN A 46 -0.203 -14.591 -5.812 1.00 0.00 O ATOM 733 CB ASN A 46 -2.834 -16.531 -5.613 1.00 0.00 C ATOM 734 CG ASN A 46 -3.790 -15.751 -4.739 1.00 0.00 C ATOM 735 OD1 ASN A 46 -4.976 -15.734 -5.032 1.00 0.00 O ATOM 736 ND2 ASN A 46 -3.311 -15.088 -3.663 1.00 0.00 N ATOM 0 H ASN A 46 -0.305 -16.625 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.903 -15.218 -7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.377 -17.320 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.085 -17.018 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.945 -14.554 -3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.315 -15.122 -3.445 1.00 0.00 H new ATOM 743 N PHE A 47 -2.124 -13.401 -5.607 1.00 0.00 N ATOM 744 CA PHE A 47 -1.466 -12.260 -4.986 1.00 0.00 C ATOM 745 C PHE A 47 -2.318 -11.737 -3.861 1.00 0.00 C ATOM 746 O PHE A 47 -3.523 -11.657 -4.036 1.00 0.00 O ATOM 747 CB PHE A 47 -1.289 -11.105 -6.002 1.00 0.00 C ATOM 748 CG PHE A 47 -0.324 -11.518 -7.119 1.00 0.00 C ATOM 749 CD1 PHE A 47 -0.732 -12.444 -8.086 1.00 0.00 C ATOM 750 CD2 PHE A 47 0.965 -10.978 -7.189 1.00 0.00 C ATOM 751 CE1 PHE A 47 0.173 -12.886 -9.052 1.00 0.00 C ATOM 752 CE2 PHE A 47 1.807 -11.292 -8.259 1.00 0.00 C ATOM 753 CZ PHE A 47 1.422 -12.272 -9.179 1.00 0.00 C ATOM 0 H PHE A 47 -3.132 -13.304 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.493 -12.594 -4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.255 -10.836 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.908 -10.220 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.746 -12.816 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.311 -10.314 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.093 -13.705 -9.704 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.751 -10.780 -8.375 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.086 -12.553 -9.983 1.00 0.00 H new ATOM 763 N THR A 48 -1.684 -11.358 -2.729 1.00 0.00 N ATOM 764 CA THR A 48 -2.385 -10.620 -1.687 1.00 0.00 C ATOM 765 C THR A 48 -1.617 -9.321 -1.656 1.00 0.00 C ATOM 766 O THR A 48 -0.690 -9.193 -0.872 1.00 0.00 O ATOM 767 CB THR A 48 -2.339 -11.435 -0.370 1.00 0.00 C ATOM 768 OG1 THR A 48 -3.042 -12.680 -0.533 1.00 0.00 O ATOM 769 CG2 THR A 48 -3.014 -10.657 0.788 1.00 0.00 C ATOM 0 H THR A 48 -0.703 -11.553 -2.527 1.00 0.00 H new ATOM 0 HA THR A 48 -3.448 -10.441 -1.849 1.00 0.00 H new ATOM 0 HB THR A 48 -1.290 -11.614 -0.132 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.006 -13.188 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.968 -11.251 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.493 -9.712 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.056 -10.460 0.535 1.00 0.00 H new ATOM 777 N TRP A 49 -1.977 -8.377 -2.558 1.00 0.00 N ATOM 778 CA TRP A 49 -1.170 -7.175 -2.743 1.00 0.00 C ATOM 779 C TRP A 49 -1.831 -6.073 -1.971 1.00 0.00 C ATOM 780 O TRP A 49 -3.043 -5.987 -2.070 1.00 0.00 O ATOM 781 CB TRP A 49 -1.115 -6.856 -4.260 1.00 0.00 C ATOM 782 CG TRP A 49 -0.140 -5.779 -4.647 1.00 0.00 C ATOM 783 CD1 TRP A 49 -0.064 -4.510 -4.210 1.00 0.00 C ATOM 784 CD2 TRP A 49 0.961 -5.962 -5.657 1.00 0.00 C ATOM 785 NE1 TRP A 49 0.937 -3.908 -4.800 1.00 0.00 N ATOM 786 CE2 TRP A 49 1.577 -4.726 -5.659 1.00 0.00 C ATOM 787 CE3 TRP A 49 1.391 -7.011 -6.465 1.00 0.00 C ATOM 788 CZ2 TRP A 49 2.693 -4.473 -6.455 1.00 0.00 C ATOM 789 CZ3 TRP A 49 2.505 -6.771 -7.276 1.00 0.00 C ATOM 790 CH2 TRP A 49 3.157 -5.528 -7.255 1.00 0.00 C ATOM 0 H TRP A 49 -2.805 -8.433 -3.151 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.148 -7.300 -2.385 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.859 -7.768 -4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.111 -6.560 -4.590 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.725 -4.058 -3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.201 -2.937 -4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.887 -7.966 -6.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 3.179 -3.508 -6.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.868 -7.552 -7.927 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.034 -5.381 -7.868 1.00 0.00 H new ATOM 801 N SER A 50 -1.092 -5.235 -1.208 1.00 0.00 N ATOM 802 CA SER A 50 -1.753 -4.147 -0.500 1.00 0.00 C ATOM 803 C SER A 50 -0.852 -2.947 -0.374 1.00 0.00 C ATOM 804 O SER A 50 0.353 -3.088 -0.510 1.00 0.00 O ATOM 805 CB SER A 50 -2.176 -4.619 0.911 1.00 0.00 C ATOM 806 OG SER A 50 -2.878 -3.557 1.580 1.00 0.00 O ATOM 0 H SER A 50 -0.082 -5.295 -1.078 1.00 0.00 H new ATOM 0 HA SER A 50 -2.632 -3.859 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.813 -5.500 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.298 -4.909 1.488 1.00 0.00 H new ATOM 0 HG SER A 50 -3.148 -3.855 2.474 1.00 0.00 H new ATOM 812 N GLN A 51 -1.459 -1.768 -0.106 1.00 0.00 N ATOM 813 CA GLN A 51 -0.690 -0.552 0.124 1.00 0.00 C ATOM 814 C GLN A 51 -1.290 0.073 1.359 1.00 0.00 C ATOM 815 O GLN A 51 -2.477 0.353 1.326 1.00 0.00 O ATOM 816 CB GLN A 51 -0.772 0.384 -1.105 1.00 0.00 C ATOM 817 CG GLN A 51 -0.054 -0.201 -2.350 1.00 0.00 C ATOM 818 CD GLN A 51 -0.223 0.677 -3.569 1.00 0.00 C ATOM 819 OE1 GLN A 51 -1.029 1.593 -3.545 1.00 0.00 O ATOM 820 NE2 GLN A 51 0.526 0.413 -4.662 1.00 0.00 N ATOM 0 H GLN A 51 -2.470 -1.647 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 51 0.372 -0.752 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.819 0.569 -1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.328 1.347 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.008 -0.319 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.449 -1.195 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.191 -0.360 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.426 0.987 -5.499 1.00 0.00 H new ATOM 829 N GLN A 52 -0.525 0.268 2.458 1.00 0.00 N ATOM 830 CA GLN A 52 -1.137 0.669 3.723 1.00 0.00 C ATOM 831 C GLN A 52 -1.283 2.171 3.766 1.00 0.00 C ATOM 832 O GLN A 52 -0.596 2.842 4.520 1.00 0.00 O ATOM 833 CB GLN A 52 -0.321 0.115 4.926 1.00 0.00 C ATOM 834 CG GLN A 52 -0.237 -1.438 4.896 1.00 0.00 C ATOM 835 CD GLN A 52 0.630 -1.995 6.001 1.00 0.00 C ATOM 836 OE1 GLN A 52 1.117 -1.241 6.829 1.00 0.00 O ATOM 837 NE2 GLN A 52 0.839 -3.331 6.034 1.00 0.00 N ATOM 0 H GLN A 52 0.488 0.155 2.486 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.136 0.239 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.685 0.535 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.784 0.437 5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.241 -1.854 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.159 -1.758 3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.416 -3.931 5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.419 -3.738 6.767 1.00 0.00 H new ATOM 846 N TYR A 53 -2.220 2.697 2.948 1.00 0.00 N ATOM 847 CA TYR A 53 -2.536 4.120 2.995 1.00 0.00 C ATOM 848 C TYR A 53 -2.944 4.466 4.417 1.00 0.00 C ATOM 849 O TYR A 53 -3.644 3.649 4.996 1.00 0.00 O ATOM 850 CB TYR A 53 -3.665 4.408 1.967 1.00 0.00 C ATOM 851 CG TYR A 53 -4.036 5.890 1.895 1.00 0.00 C ATOM 852 CD1 TYR A 53 -4.844 6.453 2.887 1.00 0.00 C ATOM 853 CD2 TYR A 53 -3.579 6.697 0.850 1.00 0.00 C ATOM 854 CE1 TYR A 53 -5.017 7.837 2.956 1.00 0.00 C ATOM 855 CE2 TYR A 53 -3.756 8.081 0.907 1.00 0.00 C ATOM 856 CZ TYR A 53 -4.419 8.659 1.993 1.00 0.00 C ATOM 857 OH TYR A 53 -4.474 10.050 2.096 1.00 0.00 O ATOM 0 H TYR A 53 -2.755 2.161 2.264 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.679 4.739 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.347 4.069 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.549 3.829 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.337 5.814 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.089 6.250 -0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.609 8.271 3.748 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.380 8.706 0.110 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.591 10.428 1.900 1.00 0.00 H new ATOM 867 N PRO A 54 -2.536 5.603 5.040 1.00 0.00 N ATOM 868 CA PRO A 54 -2.761 5.786 6.473 1.00 0.00 C ATOM 869 C PRO A 54 -4.197 6.059 6.848 1.00 0.00 C ATOM 870 O PRO A 54 -5.056 6.091 5.983 1.00 0.00 O ATOM 871 CB PRO A 54 -1.874 7.032 6.730 1.00 0.00 C ATOM 872 CG PRO A 54 -1.916 7.779 5.380 1.00 0.00 C ATOM 873 CD PRO A 54 -1.758 6.628 4.359 1.00 0.00 C ATOM 0 HA PRO A 54 -2.527 4.897 7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.266 7.645 7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.857 6.753 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.853 8.318 5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.112 8.511 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.161 6.879 3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.718 6.337 4.212 1.00 0.00 H new ATOM 881 N GLY A 55 -4.474 6.252 8.161 1.00 0.00 N ATOM 882 CA GLY A 55 -5.849 6.474 8.599 1.00 0.00 C ATOM 883 C GLY A 55 -6.654 5.197 8.604 1.00 0.00 C ATOM 884 O GLY A 55 -7.867 5.286 8.720 1.00 0.00 O ATOM 0 H GLY A 55 -3.777 6.257 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.845 6.904 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.326 7.201 7.942 1.00 0.00 H new ATOM 888 N GLY A 56 -6.033 3.999 8.496 1.00 0.00 N ATOM 889 CA GLY A 56 -6.826 2.776 8.477 1.00 0.00 C ATOM 890 C GLY A 56 -7.688 2.729 7.240 1.00 0.00 C ATOM 891 O GLY A 56 -8.870 2.448 7.362 1.00 0.00 O ATOM 0 H GLY A 56 -5.024 3.867 8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.168 1.908 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.453 2.727 9.367 1.00 0.00 H new ATOM 895 N HIS A 57 -7.103 2.983 6.044 1.00 0.00 N ATOM 896 CA HIS A 57 -7.856 2.830 4.798 1.00 0.00 C ATOM 897 C HIS A 57 -6.958 2.170 3.783 1.00 0.00 C ATOM 898 O HIS A 57 -6.745 2.696 2.702 1.00 0.00 O ATOM 899 CB HIS A 57 -8.383 4.199 4.306 1.00 0.00 C ATOM 900 CG HIS A 57 -9.120 4.894 5.416 1.00 0.00 C ATOM 901 ND1 HIS A 57 -10.288 4.508 5.879 1.00 0.00 N ATOM 902 CD2 HIS A 57 -8.684 5.987 6.073 1.00 0.00 C ATOM 903 CE1 HIS A 57 -10.662 5.305 6.830 1.00 0.00 C ATOM 904 NE2 HIS A 57 -9.776 6.180 6.986 1.00 0.00 N ATOM 0 H HIS A 57 -6.136 3.287 5.927 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.732 2.202 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.552 4.817 3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.045 4.058 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.774 6.555 5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.581 5.229 7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.825 6.932 7.673 1.00 0.00 H new ATOM 913 N SER A 58 -6.425 0.989 4.165 1.00 0.00 N ATOM 914 CA SER A 58 -5.472 0.303 3.300 1.00 0.00 C ATOM 915 C SER A 58 -6.082 0.107 1.930 1.00 0.00 C ATOM 916 O SER A 58 -7.277 -0.130 1.854 1.00 0.00 O ATOM 917 CB SER A 58 -5.042 -1.074 3.860 1.00 0.00 C ATOM 918 OG SER A 58 -6.209 -1.899 4.011 1.00 0.00 O ATOM 0 H SER A 58 -6.637 0.512 5.041 1.00 0.00 H new ATOM 0 HA SER A 58 -4.582 0.930 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.329 -1.549 3.186 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.540 -0.951 4.820 1.00 0.00 H new ATOM 0 HG SER A 58 -6.223 -2.578 3.305 1.00 0.00 H new ATOM 924 N ILE A 59 -5.273 0.210 0.852 1.00 0.00 N ATOM 925 CA ILE A 59 -5.786 0.008 -0.504 1.00 0.00 C ATOM 926 C ILE A 59 -5.451 -1.431 -0.807 1.00 0.00 C ATOM 927 O ILE A 59 -4.479 -1.706 -1.492 1.00 0.00 O ATOM 928 CB ILE A 59 -5.145 1.046 -1.475 1.00 0.00 C ATOM 929 CG1 ILE A 59 -5.426 2.497 -0.976 1.00 0.00 C ATOM 930 CG2 ILE A 59 -5.626 0.831 -2.938 1.00 0.00 C ATOM 931 CD1 ILE A 59 -4.546 3.573 -1.670 1.00 0.00 C ATOM 0 H ILE A 59 -4.278 0.429 0.901 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.858 0.172 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.066 0.895 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.476 2.734 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.259 2.541 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.159 1.572 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.347 -0.169 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.710 0.939 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.795 4.558 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.494 3.361 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.731 3.556 -2.744 1.00 0.00 H new ATOM 943 N THR A 60 -6.258 -2.372 -0.263 1.00 0.00 N ATOM 944 CA THR A 60 -5.972 -3.790 -0.466 1.00 0.00 C ATOM 945 C THR A 60 -6.261 -4.152 -1.902 1.00 0.00 C ATOM 946 O THR A 60 -7.136 -3.540 -2.493 1.00 0.00 O ATOM 947 CB THR A 60 -6.781 -4.666 0.528 1.00 0.00 C ATOM 948 OG1 THR A 60 -6.479 -4.177 1.847 1.00 0.00 O ATOM 949 CG2 THR A 60 -6.425 -6.173 0.413 1.00 0.00 C ATOM 0 H THR A 60 -7.084 -2.173 0.301 1.00 0.00 H new ATOM 0 HA THR A 60 -4.918 -3.983 -0.266 1.00 0.00 H new ATOM 0 HB THR A 60 -7.845 -4.592 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.972 -4.702 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.018 -6.743 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.642 -6.522 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.365 -6.314 0.626 1.00 0.00 H new ATOM 957 N ASN A 61 -5.532 -5.137 -2.475 1.00 0.00 N ATOM 958 CA ASN A 61 -5.761 -5.526 -3.863 1.00 0.00 C ATOM 959 C ASN A 61 -5.488 -7.005 -3.959 1.00 0.00 C ATOM 960 O ASN A 61 -4.477 -7.408 -4.510 1.00 0.00 O ATOM 961 CB ASN A 61 -4.838 -4.696 -4.791 1.00 0.00 C ATOM 962 CG ASN A 61 -5.171 -3.227 -4.710 1.00 0.00 C ATOM 963 OD1 ASN A 61 -4.420 -2.482 -4.101 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.293 -2.784 -5.316 1.00 0.00 N ATOM 0 H ASN A 61 -4.797 -5.661 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.785 -5.329 -4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.797 -4.853 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.945 -5.041 -5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.539 -1.795 -5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.895 -3.438 -5.815 1.00 0.00 H new ATOM 971 N THR A 62 -6.398 -7.837 -3.407 1.00 0.00 N ATOM 972 CA THR A 62 -6.211 -9.277 -3.531 1.00 0.00 C ATOM 973 C THR A 62 -6.535 -9.618 -4.963 1.00 0.00 C ATOM 974 O THR A 62 -7.595 -9.210 -5.407 1.00 0.00 O ATOM 975 CB THR A 62 -7.101 -10.069 -2.540 1.00 0.00 C ATOM 976 OG1 THR A 62 -6.803 -9.587 -1.217 1.00 0.00 O ATOM 977 CG2 THR A 62 -6.833 -11.596 -2.638 1.00 0.00 C ATOM 0 H THR A 62 -7.230 -7.543 -2.895 1.00 0.00 H new ATOM 0 HA THR A 62 -5.188 -9.557 -3.280 1.00 0.00 H new ATOM 0 HB THR A 62 -8.154 -9.918 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.352 -10.067 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.473 -12.124 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.050 -11.939 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.788 -11.798 -2.403 1.00 0.00 H new ATOM 985 N PHE A 63 -5.659 -10.344 -5.699 1.00 0.00 N ATOM 986 CA PHE A 63 -5.982 -10.670 -7.088 1.00 0.00 C ATOM 987 C PHE A 63 -5.362 -11.973 -7.525 1.00 0.00 C ATOM 988 O PHE A 63 -4.406 -12.408 -6.905 1.00 0.00 O ATOM 989 CB PHE A 63 -5.605 -9.517 -8.055 1.00 0.00 C ATOM 990 CG PHE A 63 -4.091 -9.308 -8.211 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.342 -10.153 -9.038 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.450 -8.252 -7.554 1.00 0.00 C ATOM 993 CE1 PHE A 63 -1.975 -9.928 -9.225 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.076 -8.045 -7.711 1.00 0.00 C ATOM 995 CZ PHE A 63 -1.335 -8.894 -8.536 1.00 0.00 C ATOM 0 H PHE A 63 -4.763 -10.697 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.064 -10.796 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.037 -9.721 -9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.055 -8.592 -7.695 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.823 -10.983 -9.534 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.022 -7.591 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.413 -10.554 -9.902 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.589 -7.230 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.270 -8.752 -8.641 1.00 0.00 H new ATOM 1005 N THR A 64 -5.920 -12.589 -8.595 1.00 0.00 N ATOM 1006 CA THR A 64 -5.386 -13.838 -9.129 1.00 0.00 C ATOM 1007 C THR A 64 -5.249 -13.663 -10.624 1.00 0.00 C ATOM 1008 O THR A 64 -6.124 -13.051 -11.215 1.00 0.00 O ATOM 1009 CB THR A 64 -6.342 -15.007 -8.769 1.00 0.00 C ATOM 1010 OG1 THR A 64 -6.428 -15.161 -7.341 1.00 0.00 O ATOM 1011 CG2 THR A 64 -5.857 -16.359 -9.351 1.00 0.00 C ATOM 0 H THR A 64 -6.735 -12.233 -9.094 1.00 0.00 H new ATOM 0 HA THR A 64 -4.412 -14.077 -8.701 1.00 0.00 H new ATOM 0 HB THR A 64 -7.311 -14.754 -9.199 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.541 -15.370 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.557 -17.147 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.802 -16.289 -10.437 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.870 -16.594 -8.952 1.00 0.00 H new ATOM 1019 N ILE A 65 -4.165 -14.174 -11.254 1.00 0.00 N ATOM 1020 CA ILE A 65 -3.985 -13.944 -12.687 1.00 0.00 C ATOM 1021 C ILE A 65 -5.036 -14.725 -13.442 1.00 0.00 C ATOM 1022 O ILE A 65 -5.380 -15.807 -12.994 1.00 0.00 O ATOM 1023 CB ILE A 65 -2.535 -14.290 -13.148 1.00 0.00 C ATOM 1024 CG1 ILE A 65 -1.537 -13.258 -12.536 1.00 0.00 C ATOM 1025 CG2 ILE A 65 -2.407 -14.331 -14.698 1.00 0.00 C ATOM 1026 CD1 ILE A 65 -0.070 -13.751 -12.541 1.00 0.00 C ATOM 0 H ILE A 65 -3.434 -14.726 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.116 -12.884 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.293 -15.290 -12.788 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.602 -12.324 -13.095 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.836 -13.037 -11.511 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.381 -14.576 -14.972 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.080 -15.089 -15.099 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.671 -13.357 -15.111 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.572 -12.987 -12.102 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.007 -14.669 -11.958 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.245 -13.945 -13.566 1.00 0.00 H new ATOM 1038 N GLY A 66 -5.556 -14.198 -14.579 1.00 0.00 N ATOM 1039 CA GLY A 66 -6.554 -14.930 -15.356 1.00 0.00 C ATOM 1040 C GLY A 66 -7.951 -14.519 -14.956 1.00 0.00 C ATOM 1041 O GLY A 66 -8.704 -14.073 -15.808 1.00 0.00 O ATOM 0 H GLY A 66 -5.300 -13.288 -14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.405 -14.741 -16.419 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.427 -16.002 -15.202 1.00 0.00 H new ATOM 1045 N LYS A 67 -8.325 -14.673 -13.665 1.00 0.00 N ATOM 1046 CA LYS A 67 -9.698 -14.363 -13.262 1.00 0.00 C ATOM 1047 C LYS A 67 -10.004 -12.895 -13.433 1.00 0.00 C ATOM 1048 O LYS A 67 -9.087 -12.093 -13.513 1.00 0.00 O ATOM 1049 CB LYS A 67 -9.990 -14.734 -11.779 1.00 0.00 C ATOM 1050 CG LYS A 67 -10.137 -16.267 -11.597 1.00 0.00 C ATOM 1051 CD LYS A 67 -10.266 -16.652 -10.098 1.00 0.00 C ATOM 1052 CE LYS A 67 -10.600 -18.154 -9.879 1.00 0.00 C ATOM 1053 NZ LYS A 67 -9.575 -19.072 -10.432 1.00 0.00 N ATOM 0 H LYS A 67 -7.714 -14.998 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.330 -14.966 -13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.183 -14.367 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.904 -14.238 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.015 -16.617 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.273 -16.770 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.333 -16.416 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.044 -16.043 -9.639 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.708 -18.343 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.562 -18.376 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.858 -20.057 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.488 -18.918 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.660 -18.886 -9.975 1.00 0.00 H new ATOM 1067 N GLU A 68 -11.313 -12.543 -13.463 1.00 0.00 N ATOM 1068 CA GLU A 68 -11.692 -11.134 -13.422 1.00 0.00 C ATOM 1069 C GLU A 68 -11.450 -10.722 -11.991 1.00 0.00 C ATOM 1070 O GLU A 68 -12.053 -11.330 -11.119 1.00 0.00 O ATOM 1071 CB GLU A 68 -13.178 -10.873 -13.792 1.00 0.00 C ATOM 1072 CG GLU A 68 -13.480 -11.253 -15.264 1.00 0.00 C ATOM 1073 CD GLU A 68 -14.917 -10.930 -15.587 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -15.803 -11.767 -15.265 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -15.173 -9.836 -16.160 1.00 0.00 O ATOM 0 H GLU A 68 -12.091 -13.200 -13.514 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.115 -10.570 -14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.824 -11.448 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.413 -9.821 -13.633 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.815 -10.708 -15.934 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.291 -12.315 -15.422 1.00 0.00 H new ATOM 1082 N CYS A 69 -10.569 -9.732 -11.721 1.00 0.00 N ATOM 1083 CA CYS A 69 -10.205 -9.422 -10.340 1.00 0.00 C ATOM 1084 C CYS A 69 -10.984 -8.236 -9.836 1.00 0.00 C ATOM 1085 O CYS A 69 -11.267 -7.353 -10.629 1.00 0.00 O ATOM 1086 CB CYS A 69 -8.694 -9.095 -10.262 1.00 0.00 C ATOM 1087 SG CYS A 69 -7.806 -10.469 -11.060 1.00 0.00 S ATOM 0 H CYS A 69 -10.113 -9.154 -12.427 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.436 -10.290 -9.722 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.478 -8.153 -10.765 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.377 -8.983 -9.225 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.497 -10.903 -12.072 1.00 0.00 H new ATOM 1092 N ASP A 70 -11.323 -8.192 -8.526 1.00 0.00 N ATOM 1093 CA ASP A 70 -11.961 -6.998 -7.980 1.00 0.00 C ATOM 1094 C ASP A 70 -10.863 -6.011 -7.682 1.00 0.00 C ATOM 1095 O ASP A 70 -9.789 -6.457 -7.308 1.00 0.00 O ATOM 1096 CB ASP A 70 -12.765 -7.290 -6.689 1.00 0.00 C ATOM 1097 CG ASP A 70 -11.842 -7.729 -5.581 1.00 0.00 C ATOM 1098 OD1 ASP A 70 -11.483 -8.937 -5.551 1.00 0.00 O ATOM 1099 OD2 ASP A 70 -11.461 -6.870 -4.738 1.00 0.00 O ATOM 0 H ASP A 70 -11.168 -8.947 -7.858 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.675 -6.610 -8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.311 -6.397 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.506 -8.066 -6.882 1.00 0.00 H new ATOM 1104 N ILE A 71 -11.103 -4.688 -7.845 1.00 0.00 N ATOM 1105 CA ILE A 71 -10.049 -3.701 -7.611 1.00 0.00 C ATOM 1106 C ILE A 71 -10.662 -2.473 -6.968 1.00 0.00 C ATOM 1107 O ILE A 71 -11.777 -2.132 -7.324 1.00 0.00 O ATOM 1108 CB ILE A 71 -9.344 -3.331 -8.951 1.00 0.00 C ATOM 1109 CG1 ILE A 71 -8.588 -4.529 -9.611 1.00 0.00 C ATOM 1110 CG2 ILE A 71 -8.411 -2.095 -8.801 1.00 0.00 C ATOM 1111 CD1 ILE A 71 -7.313 -5.018 -8.868 1.00 0.00 C ATOM 0 H ILE A 71 -12.000 -4.296 -8.132 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.295 -4.119 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.151 -3.063 -9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.279 -5.367 -9.697 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.307 -4.243 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.942 -1.875 -9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.996 -1.234 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.640 -2.309 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.871 -5.851 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.593 -4.202 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.580 -5.344 -7.863 1.00 0.00 H new ATOM 1123 N GLU A 72 -9.935 -1.810 -6.035 1.00 0.00 N ATOM 1124 CA GLU A 72 -10.409 -0.584 -5.393 1.00 0.00 C ATOM 1125 C GLU A 72 -9.359 0.474 -5.629 1.00 0.00 C ATOM 1126 O GLU A 72 -8.335 0.152 -6.212 1.00 0.00 O ATOM 1127 CB GLU A 72 -10.636 -0.852 -3.876 1.00 0.00 C ATOM 1128 CG GLU A 72 -9.329 -0.861 -3.037 1.00 0.00 C ATOM 1129 CD GLU A 72 -9.616 -1.224 -1.602 1.00 0.00 C ATOM 1130 OE1 GLU A 72 -10.200 -0.370 -0.881 1.00 0.00 O ATOM 1131 OE2 GLU A 72 -9.263 -2.359 -1.180 1.00 0.00 O ATOM 0 H GLU A 72 -9.015 -2.115 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.360 -0.248 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.306 -0.090 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.139 -1.812 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.623 -1.574 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.857 0.120 -3.081 1.00 0.00 H new ATOM 1138 N THR A 73 -9.596 1.726 -5.175 1.00 0.00 N ATOM 1139 CA THR A 73 -8.601 2.792 -5.342 1.00 0.00 C ATOM 1140 C THR A 73 -8.372 3.512 -4.027 1.00 0.00 C ATOM 1141 O THR A 73 -7.255 3.440 -3.546 1.00 0.00 O ATOM 1142 CB THR A 73 -8.971 3.767 -6.497 1.00 0.00 C ATOM 1143 OG1 THR A 73 -9.370 3.033 -7.666 1.00 0.00 O ATOM 1144 CG2 THR A 73 -7.758 4.638 -6.913 1.00 0.00 C ATOM 0 H THR A 73 -10.452 2.012 -4.700 1.00 0.00 H new ATOM 0 HA THR A 73 -7.659 2.330 -5.636 1.00 0.00 H new ATOM 0 HB THR A 73 -9.781 4.395 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.709 3.166 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.051 5.307 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.422 5.226 -6.059 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.946 3.994 -7.251 1.00 0.00 H new ATOM 1152 N ILE A 74 -9.388 4.186 -3.433 1.00 0.00 N ATOM 1153 CA ILE A 74 -9.238 4.824 -2.115 1.00 0.00 C ATOM 1154 C ILE A 74 -10.484 5.623 -1.786 1.00 0.00 C ATOM 1155 O ILE A 74 -10.975 5.490 -0.676 1.00 0.00 O ATOM 1156 CB ILE A 74 -7.980 5.729 -1.893 1.00 0.00 C ATOM 1157 CG1 ILE A 74 -7.917 6.412 -0.490 1.00 0.00 C ATOM 1158 CG2 ILE A 74 -7.852 6.809 -3.000 1.00 0.00 C ATOM 1159 CD1 ILE A 74 -7.858 5.416 0.700 1.00 0.00 C ATOM 0 H ILE A 74 -10.313 4.298 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.087 3.981 -1.441 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.136 5.041 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.040 7.059 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.791 7.052 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.968 7.418 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.760 6.325 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.738 7.444 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.816 5.971 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.747 4.785 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.969 4.792 0.608 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.026 6.449 -2.715 1.00 0.00 N ATOM 1172 CA GLY A 75 -12.240 7.206 -2.410 1.00 0.00 C ATOM 1173 C GLY A 75 -13.446 6.311 -2.571 1.00 0.00 C ATOM 1174 O GLY A 75 -14.255 6.554 -3.453 1.00 0.00 O ATOM 0 H GLY A 75 -10.647 6.598 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.194 7.592 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.321 8.066 -3.074 1.00 0.00 H new ATOM 1178 N GLY A 76 -13.579 5.268 -1.719 1.00 0.00 N ATOM 1179 CA GLY A 76 -14.740 4.388 -1.800 1.00 0.00 C ATOM 1180 C GLY A 76 -14.989 3.863 -3.193 1.00 0.00 C ATOM 1181 O GLY A 76 -16.149 3.697 -3.535 1.00 0.00 O ATOM 0 H GLY A 76 -12.908 5.029 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.599 3.547 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.623 4.929 -1.459 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.935 3.580 -3.997 1.00 0.00 N ATOM 1186 CA LYS A 77 -14.164 2.999 -5.319 1.00 0.00 C ATOM 1187 C LYS A 77 -14.156 1.496 -5.206 1.00 0.00 C ATOM 1188 O LYS A 77 -13.576 0.970 -4.269 1.00 0.00 O ATOM 1189 CB LYS A 77 -13.110 3.403 -6.386 1.00 0.00 C ATOM 1190 CG LYS A 77 -12.939 4.935 -6.566 1.00 0.00 C ATOM 1191 CD LYS A 77 -14.282 5.632 -6.920 1.00 0.00 C ATOM 1192 CE LYS A 77 -14.135 7.147 -7.224 1.00 0.00 C ATOM 1193 NZ LYS A 77 -13.738 7.927 -6.031 1.00 0.00 N ATOM 0 H LYS A 77 -12.957 3.741 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.126 3.388 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.148 2.972 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.393 2.966 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.538 5.365 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.211 5.129 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.721 5.137 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.978 5.502 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.392 7.287 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.080 7.531 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.271 8.820 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.944 7.377 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.719 8.133 -6.074 1.00 0.00 H new ATOM 1207 N LYS A 78 -14.795 0.806 -6.177 1.00 0.00 N ATOM 1208 CA LYS A 78 -14.786 -0.652 -6.181 1.00 0.00 C ATOM 1209 C LYS A 78 -15.296 -1.085 -7.537 1.00 0.00 C ATOM 1210 O LYS A 78 -16.482 -0.921 -7.781 1.00 0.00 O ATOM 1211 CB LYS A 78 -15.715 -1.212 -5.068 1.00 0.00 C ATOM 1212 CG LYS A 78 -15.963 -2.748 -5.175 1.00 0.00 C ATOM 1213 CD LYS A 78 -14.679 -3.627 -5.205 1.00 0.00 C ATOM 1214 CE LYS A 78 -13.812 -3.475 -3.927 1.00 0.00 C ATOM 1215 NZ LYS A 78 -12.647 -4.391 -3.946 1.00 0.00 N ATOM 0 H LYS A 78 -15.309 1.234 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.781 -1.029 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.277 -0.990 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -16.673 -0.694 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -16.578 -3.060 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.540 -2.944 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.963 -4.673 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.082 -3.359 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.465 -2.445 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.422 -3.679 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.375 -4.627 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.899 -5.262 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.849 -3.928 -4.426 1.00 0.00 H new ATOM 1229 N PHE A 79 -14.433 -1.618 -8.428 1.00 0.00 N ATOM 1230 CA PHE A 79 -14.895 -2.023 -9.751 1.00 0.00 C ATOM 1231 C PHE A 79 -14.132 -3.247 -10.181 1.00 0.00 C ATOM 1232 O PHE A 79 -13.064 -3.493 -9.643 1.00 0.00 O ATOM 1233 CB PHE A 79 -14.725 -0.858 -10.761 1.00 0.00 C ATOM 1234 CG PHE A 79 -13.370 -0.171 -10.541 1.00 0.00 C ATOM 1235 CD1 PHE A 79 -12.187 -0.807 -10.934 1.00 0.00 C ATOM 1236 CD2 PHE A 79 -13.301 1.091 -9.938 1.00 0.00 C ATOM 1237 CE1 PHE A 79 -10.947 -0.241 -10.624 1.00 0.00 C ATOM 1238 CE2 PHE A 79 -12.063 1.693 -9.701 1.00 0.00 C ATOM 1239 CZ PHE A 79 -10.884 1.000 -9.983 1.00 0.00 C ATOM 0 H PHE A 79 -13.440 -1.771 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.957 -2.268 -9.717 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.789 -1.237 -11.781 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.533 -0.137 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.232 -1.738 -11.479 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.210 1.601 -9.655 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.037 -0.763 -10.880 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.018 2.695 -9.300 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.928 1.421 -9.707 1.00 0.00 H new ATOM 1249 N LYS A 80 -14.686 -4.022 -11.140 1.00 0.00 N ATOM 1250 CA LYS A 80 -14.017 -5.244 -11.568 1.00 0.00 C ATOM 1251 C LYS A 80 -13.064 -4.911 -12.686 1.00 0.00 C ATOM 1252 O LYS A 80 -13.314 -3.960 -13.410 1.00 0.00 O ATOM 1253 CB LYS A 80 -15.040 -6.324 -12.006 1.00 0.00 C ATOM 1254 CG LYS A 80 -16.052 -6.594 -10.859 1.00 0.00 C ATOM 1255 CD LYS A 80 -17.124 -7.637 -11.271 1.00 0.00 C ATOM 1256 CE LYS A 80 -18.212 -7.807 -10.175 1.00 0.00 C ATOM 1257 NZ LYS A 80 -19.178 -6.684 -10.096 1.00 0.00 N ATOM 0 H LYS A 80 -15.568 -3.822 -11.612 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.459 -5.661 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.570 -5.994 -12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.519 -7.245 -12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.517 -6.951 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.541 -5.661 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.593 -7.327 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.644 -8.597 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.760 -8.730 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.722 -7.919 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.869 -6.873 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.669 -5.802 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.674 -6.588 -11.005 1.00 0.00 H new ATOM 1271 N ALA A 81 -11.967 -5.689 -12.827 1.00 0.00 N ATOM 1272 CA ALA A 81 -11.008 -5.424 -13.895 1.00 0.00 C ATOM 1273 C ALA A 81 -10.156 -6.650 -14.113 1.00 0.00 C ATOM 1274 O ALA A 81 -9.950 -7.385 -13.160 1.00 0.00 O ATOM 1275 CB ALA A 81 -10.123 -4.209 -13.532 1.00 0.00 C ATOM 0 H ALA A 81 -11.737 -6.481 -12.227 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.545 -5.191 -14.814 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.412 -4.023 -14.337 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.752 -3.330 -13.392 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.580 -4.417 -12.610 1.00 0.00 H new ATOM 1281 N THR A 82 -9.675 -6.896 -15.353 1.00 0.00 N ATOM 1282 CA THR A 82 -8.967 -8.144 -15.630 1.00 0.00 C ATOM 1283 C THR A 82 -7.498 -7.996 -15.329 1.00 0.00 C ATOM 1284 O THR A 82 -6.959 -6.949 -15.648 1.00 0.00 O ATOM 1285 CB THR A 82 -9.163 -8.555 -17.115 1.00 0.00 C ATOM 1286 OG1 THR A 82 -10.562 -8.548 -17.443 1.00 0.00 O ATOM 1287 CG2 THR A 82 -8.534 -9.938 -17.430 1.00 0.00 C ATOM 0 H THR A 82 -9.765 -6.263 -16.148 1.00 0.00 H new ATOM 0 HA THR A 82 -9.379 -8.923 -14.988 1.00 0.00 H new ATOM 0 HB THR A 82 -8.643 -7.823 -17.733 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.679 -8.806 -18.381 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.697 -10.181 -18.480 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.464 -9.906 -17.227 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.999 -10.700 -16.805 1.00 0.00 H new ATOM 1295 N VAL A 83 -6.854 -9.035 -14.742 1.00 0.00 N ATOM 1296 CA VAL A 83 -5.403 -9.022 -14.569 1.00 0.00 C ATOM 1297 C VAL A 83 -4.810 -9.901 -15.640 1.00 0.00 C ATOM 1298 O VAL A 83 -5.381 -10.941 -15.931 1.00 0.00 O ATOM 1299 CB VAL A 83 -4.953 -9.570 -13.178 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -3.473 -10.046 -13.162 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -5.110 -8.488 -12.078 1.00 0.00 C ATOM 0 H VAL A 83 -7.317 -9.873 -14.390 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.062 -7.989 -14.637 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.600 -10.424 -12.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.220 -10.416 -12.168 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.340 -10.845 -13.891 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.820 -9.211 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.790 -8.895 -11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.496 -7.623 -12.328 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.155 -8.184 -12.013 1.00 0.00 H new ATOM 1311 N GLN A 84 -3.637 -9.517 -16.192 1.00 0.00 N ATOM 1312 CA GLN A 84 -2.864 -10.454 -17.004 1.00 0.00 C ATOM 1313 C GLN A 84 -1.403 -10.182 -16.757 1.00 0.00 C ATOM 1314 O GLN A 84 -1.092 -9.143 -16.198 1.00 0.00 O ATOM 1315 CB GLN A 84 -3.266 -10.411 -18.501 1.00 0.00 C ATOM 1316 CG GLN A 84 -2.892 -9.059 -19.159 1.00 0.00 C ATOM 1317 CD GLN A 84 -3.384 -8.918 -20.580 1.00 0.00 C ATOM 1318 OE1 GLN A 84 -3.923 -9.865 -21.132 1.00 0.00 O ATOM 1319 NE2 GLN A 84 -3.204 -7.731 -21.199 1.00 0.00 N ATOM 0 H GLN A 84 -3.223 -8.591 -16.089 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.083 -11.480 -16.707 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.772 -11.223 -19.034 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.339 -10.576 -18.594 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.304 -8.247 -18.559 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.808 -8.947 -19.147 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.750 -6.962 -20.706 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.523 -7.603 -22.160 1.00 0.00 H new ATOM 1328 N MET A 85 -0.516 -11.127 -17.139 1.00 0.00 N ATOM 1329 CA MET A 85 0.894 -11.028 -16.770 1.00 0.00 C ATOM 1330 C MET A 85 1.720 -10.924 -18.026 1.00 0.00 C ATOM 1331 O MET A 85 1.364 -11.571 -18.999 1.00 0.00 O ATOM 1332 CB MET A 85 1.228 -12.290 -15.932 1.00 0.00 C ATOM 1333 CG MET A 85 2.486 -12.159 -15.035 1.00 0.00 C ATOM 1334 SD MET A 85 4.006 -12.001 -16.027 1.00 0.00 S ATOM 1335 CE MET A 85 5.224 -11.824 -14.687 1.00 0.00 C ATOM 0 H MET A 85 -0.755 -11.949 -17.693 1.00 0.00 H new ATOM 0 HA MET A 85 1.114 -10.142 -16.175 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.372 -12.527 -15.301 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.368 -13.133 -16.609 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.382 -11.289 -14.387 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.563 -13.032 -14.387 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.221 -11.715 -15.114 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.985 -10.942 -14.093 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.196 -12.709 -14.051 1.00 0.00 H new ATOM 1345 N GLU A 86 2.806 -10.117 -18.036 1.00 0.00 N ATOM 1346 CA GLU A 86 3.601 -9.970 -19.252 1.00 0.00 C ATOM 1347 C GLU A 86 4.985 -9.469 -18.911 1.00 0.00 C ATOM 1348 O GLU A 86 5.112 -8.787 -17.906 1.00 0.00 O ATOM 1349 CB GLU A 86 2.882 -9.009 -20.236 1.00 0.00 C ATOM 1350 CG GLU A 86 2.461 -7.682 -19.550 1.00 0.00 C ATOM 1351 CD GLU A 86 1.792 -6.765 -20.541 1.00 0.00 C ATOM 1352 OE1 GLU A 86 0.717 -7.154 -21.075 1.00 0.00 O ATOM 1353 OE2 GLU A 86 2.329 -5.653 -20.795 1.00 0.00 O ATOM 0 H GLU A 86 3.136 -9.577 -17.236 1.00 0.00 H new ATOM 0 HA GLU A 86 3.706 -10.941 -19.737 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.542 -8.790 -21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.000 -9.502 -20.644 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.782 -7.892 -18.724 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.337 -7.191 -19.125 1.00 0.00 H new ATOM 1360 N GLY A 87 6.029 -9.801 -19.708 1.00 0.00 N ATOM 1361 CA GLY A 87 7.381 -9.380 -19.344 1.00 0.00 C ATOM 1362 C GLY A 87 7.667 -9.819 -17.928 1.00 0.00 C ATOM 1363 O GLY A 87 7.167 -10.864 -17.540 1.00 0.00 O ATOM 0 H GLY A 87 5.957 -10.338 -20.572 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.109 -9.817 -20.028 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.474 -8.297 -19.429 1.00 0.00 H new ATOM 1367 N GLY A 88 8.444 -9.033 -17.145 1.00 0.00 N ATOM 1368 CA GLY A 88 8.569 -9.293 -15.711 1.00 0.00 C ATOM 1369 C GLY A 88 7.650 -8.325 -15.006 1.00 0.00 C ATOM 1370 O GLY A 88 8.110 -7.604 -14.135 1.00 0.00 O ATOM 0 H GLY A 88 8.979 -8.233 -17.483 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.295 -10.323 -15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.599 -9.156 -15.382 1.00 0.00 H new ATOM 1374 N LYS A 89 6.350 -8.293 -15.393 1.00 0.00 N ATOM 1375 CA LYS A 89 5.431 -7.282 -14.873 1.00 0.00 C ATOM 1376 C LYS A 89 4.055 -7.876 -14.696 1.00 0.00 C ATOM 1377 O LYS A 89 3.794 -8.922 -15.268 1.00 0.00 O ATOM 1378 CB LYS A 89 5.284 -6.112 -15.889 1.00 0.00 C ATOM 1379 CG LYS A 89 6.657 -5.636 -16.436 1.00 0.00 C ATOM 1380 CD LYS A 89 6.545 -4.274 -17.174 1.00 0.00 C ATOM 1381 CE LYS A 89 7.933 -3.657 -17.506 1.00 0.00 C ATOM 1382 NZ LYS A 89 8.754 -4.502 -18.404 1.00 0.00 N ATOM 0 H LYS A 89 5.932 -8.949 -16.053 1.00 0.00 H new ATOM 0 HA LYS A 89 5.833 -6.927 -13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.654 -6.431 -16.720 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.777 -5.276 -15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.365 -5.545 -15.612 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.056 -6.387 -17.118 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.982 -4.411 -18.097 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.980 -3.576 -16.557 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.787 -2.682 -17.970 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.479 -3.489 -16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.665 -4.034 -18.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.923 -5.425 -17.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.252 -4.642 -19.304 1.00 0.00 H new ATOM 1396 N VAL A 90 3.171 -7.189 -13.934 1.00 0.00 N ATOM 1397 CA VAL A 90 1.759 -7.566 -13.882 1.00 0.00 C ATOM 1398 C VAL A 90 0.976 -6.379 -14.387 1.00 0.00 C ATOM 1399 O VAL A 90 1.411 -5.273 -14.105 1.00 0.00 O ATOM 1400 CB VAL A 90 1.291 -8.032 -12.472 1.00 0.00 C ATOM 1401 CG1 VAL A 90 1.442 -6.940 -11.377 1.00 0.00 C ATOM 1402 CG2 VAL A 90 -0.190 -8.495 -12.524 1.00 0.00 C ATOM 0 H VAL A 90 3.416 -6.384 -13.358 1.00 0.00 H new ATOM 0 HA VAL A 90 1.588 -8.440 -14.510 1.00 0.00 H new ATOM 0 HB VAL A 90 1.945 -8.859 -12.196 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.097 -7.333 -10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.490 -6.651 -11.294 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.845 -6.069 -11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.505 -8.818 -11.532 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.819 -7.667 -12.853 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.287 -9.325 -13.224 1.00 0.00 H new ATOM 1412 N VAL A 91 -0.143 -6.575 -15.130 1.00 0.00 N ATOM 1413 CA VAL A 91 -0.904 -5.440 -15.650 1.00 0.00 C ATOM 1414 C VAL A 91 -2.382 -5.638 -15.374 1.00 0.00 C ATOM 1415 O VAL A 91 -2.964 -6.549 -15.940 1.00 0.00 O ATOM 1416 CB VAL A 91 -0.569 -5.120 -17.142 1.00 0.00 C ATOM 1417 CG1 VAL A 91 0.965 -4.946 -17.332 1.00 0.00 C ATOM 1418 CG2 VAL A 91 -1.094 -6.174 -18.149 1.00 0.00 C ATOM 0 H VAL A 91 -0.521 -7.491 -15.371 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.597 -4.541 -15.116 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.090 -4.189 -17.362 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.179 -4.724 -18.377 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.318 -4.126 -16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.474 -5.866 -17.045 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.820 -5.878 -19.162 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.653 -7.145 -17.923 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.179 -6.242 -18.072 1.00 0.00 H new ATOM 1428 N VAL A 92 -3.023 -4.795 -14.525 1.00 0.00 N ATOM 1429 CA VAL A 92 -4.482 -4.724 -14.537 1.00 0.00 C ATOM 1430 C VAL A 92 -4.790 -3.998 -15.822 1.00 0.00 C ATOM 1431 O VAL A 92 -4.012 -3.139 -16.203 1.00 0.00 O ATOM 1432 CB VAL A 92 -5.095 -3.943 -13.339 1.00 0.00 C ATOM 1433 CG1 VAL A 92 -6.609 -3.661 -13.536 1.00 0.00 C ATOM 1434 CG2 VAL A 92 -4.886 -4.696 -11.998 1.00 0.00 C ATOM 0 H VAL A 92 -2.562 -4.182 -13.852 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.910 -5.723 -14.458 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.567 -2.990 -13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.992 -3.114 -12.675 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.754 -3.066 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.145 -4.605 -13.634 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.327 -4.120 -11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.365 -5.674 -12.051 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.819 -4.824 -11.815 1.00 0.00 H new ATOM 1444 N ASN A 93 -5.899 -4.323 -16.518 1.00 0.00 N ATOM 1445 CA ASN A 93 -6.129 -3.675 -17.805 1.00 0.00 C ATOM 1446 C ASN A 93 -7.591 -3.598 -18.155 1.00 0.00 C ATOM 1447 O ASN A 93 -8.025 -4.205 -19.121 1.00 0.00 O ATOM 1448 CB ASN A 93 -5.282 -4.442 -18.848 1.00 0.00 C ATOM 1449 CG ASN A 93 -5.635 -5.912 -18.791 1.00 0.00 C ATOM 1450 OD1 ASN A 93 -5.116 -6.601 -17.927 1.00 0.00 O ATOM 1451 ND2 ASN A 93 -6.521 -6.421 -19.675 1.00 0.00 N ATOM 0 H ASN A 93 -6.609 -4.994 -16.224 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.816 -2.631 -17.776 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.470 -4.049 -19.847 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.220 -4.303 -18.645 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.774 -7.408 -19.632 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.937 -5.818 -20.385 1.00 0.00 H new ATOM 1458 N SER A 94 -8.343 -2.798 -17.365 1.00 0.00 N ATOM 1459 CA SER A 94 -9.702 -2.435 -17.765 1.00 0.00 C ATOM 1460 C SER A 94 -9.558 -1.164 -18.572 1.00 0.00 C ATOM 1461 O SER A 94 -8.749 -0.354 -18.145 1.00 0.00 O ATOM 1462 CB SER A 94 -10.699 -2.164 -16.607 1.00 0.00 C ATOM 1463 OG SER A 94 -10.294 -1.093 -15.741 1.00 0.00 O ATOM 0 H SER A 94 -8.035 -2.407 -16.475 1.00 0.00 H new ATOM 0 HA SER A 94 -10.125 -3.284 -18.303 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.677 -1.930 -17.028 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.815 -3.073 -16.017 1.00 0.00 H new ATOM 0 HG SER A 94 -9.350 -1.205 -15.501 1.00 0.00 H new ATOM 1469 N PRO A 95 -10.273 -0.911 -19.698 1.00 0.00 N ATOM 1470 CA PRO A 95 -10.120 0.365 -20.384 1.00 0.00 C ATOM 1471 C PRO A 95 -10.149 1.572 -19.476 1.00 0.00 C ATOM 1472 O PRO A 95 -9.347 2.471 -19.676 1.00 0.00 O ATOM 1473 CB PRO A 95 -11.361 0.324 -21.308 1.00 0.00 C ATOM 1474 CG PRO A 95 -11.513 -1.180 -21.629 1.00 0.00 C ATOM 1475 CD PRO A 95 -11.204 -1.872 -20.279 1.00 0.00 C ATOM 0 HA PRO A 95 -9.155 0.473 -20.879 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.246 0.721 -20.811 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.210 0.915 -22.211 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.518 -1.416 -21.980 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.821 -1.496 -22.409 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.096 -2.007 -19.668 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.756 -2.857 -20.410 1.00 0.00 H new ATOM 1483 N ASN A 96 -11.065 1.615 -18.479 1.00 0.00 N ATOM 1484 CA ASN A 96 -11.168 2.804 -17.634 1.00 0.00 C ATOM 1485 C ASN A 96 -10.062 2.804 -16.603 1.00 0.00 C ATOM 1486 O ASN A 96 -9.225 3.692 -16.656 1.00 0.00 O ATOM 1487 CB ASN A 96 -12.565 2.921 -16.966 1.00 0.00 C ATOM 1488 CG ASN A 96 -13.635 2.998 -18.029 1.00 0.00 C ATOM 1489 OD1 ASN A 96 -14.296 2.002 -18.279 1.00 0.00 O ATOM 1490 ND2 ASN A 96 -13.826 4.168 -18.680 1.00 0.00 N ATOM 0 H ASN A 96 -11.717 0.863 -18.254 1.00 0.00 H new ATOM 0 HA ASN A 96 -11.052 3.682 -18.270 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -12.743 2.061 -16.320 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -12.603 3.808 -16.334 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -14.540 4.238 -19.405 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -13.256 4.981 -18.446 1.00 0.00 H new ATOM 1497 N TYR A 97 -10.036 1.831 -15.659 1.00 0.00 N ATOM 1498 CA TYR A 97 -9.008 1.832 -14.620 1.00 0.00 C ATOM 1499 C TYR A 97 -7.901 0.916 -15.074 1.00 0.00 C ATOM 1500 O TYR A 97 -7.826 -0.216 -14.626 1.00 0.00 O ATOM 1501 CB TYR A 97 -9.587 1.403 -13.244 1.00 0.00 C ATOM 1502 CG TYR A 97 -8.533 1.611 -12.143 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -8.377 2.876 -11.565 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -7.724 0.559 -11.696 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -7.437 3.085 -10.552 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -6.775 0.768 -10.690 1.00 0.00 C ATOM 1507 CZ TYR A 97 -6.621 2.037 -10.119 1.00 0.00 C ATOM 1508 OH TYR A 97 -5.665 2.277 -9.127 1.00 0.00 O ATOM 0 H TYR A 97 -10.702 1.060 -15.605 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.619 2.840 -14.476 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.480 1.985 -13.018 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.889 0.356 -13.277 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.989 3.699 -11.905 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.834 -0.423 -12.132 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.341 4.062 -10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.159 -0.052 -10.353 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.178 1.449 -8.935 1.00 0.00 H new ATOM 1518 N HIS A 98 -7.016 1.402 -15.969 1.00 0.00 N ATOM 1519 CA HIS A 98 -5.850 0.596 -16.311 1.00 0.00 C ATOM 1520 C HIS A 98 -4.922 0.704 -15.130 1.00 0.00 C ATOM 1521 O HIS A 98 -4.904 1.756 -14.509 1.00 0.00 O ATOM 1522 CB HIS A 98 -5.098 1.128 -17.557 1.00 0.00 C ATOM 1523 CG HIS A 98 -4.174 0.067 -18.100 1.00 0.00 C ATOM 1524 ND1 HIS A 98 -4.468 -0.716 -19.116 1.00 0.00 N ATOM 1525 CD2 HIS A 98 -2.947 -0.222 -17.623 1.00 0.00 C ATOM 1526 CE1 HIS A 98 -3.479 -1.522 -19.347 1.00 0.00 C ATOM 1527 NE2 HIS A 98 -2.572 -1.285 -18.514 1.00 0.00 N ATOM 0 H HIS A 98 -7.087 2.303 -16.442 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.168 -0.422 -16.537 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.814 1.424 -18.324 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.527 2.018 -17.293 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.400 0.220 -16.803 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.442 -2.270 -20.125 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -1.683 -1.783 -18.474 1.00 0.00 H new ATOM 1536 N HIS A 99 -4.136 -0.342 -14.811 1.00 0.00 N ATOM 1537 CA HIS A 99 -3.129 -0.178 -13.768 1.00 0.00 C ATOM 1538 C HIS A 99 -2.065 -1.229 -13.895 1.00 0.00 C ATOM 1539 O HIS A 99 -2.348 -2.273 -14.456 1.00 0.00 O ATOM 1540 CB HIS A 99 -3.766 -0.153 -12.351 1.00 0.00 C ATOM 1541 CG HIS A 99 -2.776 -0.562 -11.287 1.00 0.00 C ATOM 1542 ND1 HIS A 99 -2.092 0.284 -10.548 1.00 0.00 N ATOM 1543 CD2 HIS A 99 -2.453 -1.833 -10.964 1.00 0.00 C ATOM 1544 CE1 HIS A 99 -1.316 -0.367 -9.740 1.00 0.00 C ATOM 1545 NE2 HIS A 99 -1.481 -1.594 -9.935 1.00 0.00 N ATOM 0 H HIS A 99 -4.179 -1.265 -15.242 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.652 0.793 -13.905 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.138 0.849 -12.137 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.625 -0.824 -12.326 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -2.162 1.300 -10.603 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.822 -2.765 -11.366 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.641 0.073 -9.021 1.00 0.00 H new ATOM 1554 N THR A 100 -0.840 -0.966 -13.390 1.00 0.00 N ATOM 1555 CA THR A 100 0.209 -1.971 -13.487 1.00 0.00 C ATOM 1556 C THR A 100 1.092 -1.933 -12.276 1.00 0.00 C ATOM 1557 O THR A 100 1.075 -0.943 -11.563 1.00 0.00 O ATOM 1558 CB THR A 100 1.141 -1.716 -14.705 1.00 0.00 C ATOM 1559 OG1 THR A 100 2.026 -0.622 -14.393 1.00 0.00 O ATOM 1560 CG2 THR A 100 0.340 -1.387 -15.990 1.00 0.00 C ATOM 0 H THR A 100 -0.571 -0.096 -12.930 1.00 0.00 H new ATOM 0 HA THR A 100 -0.301 -2.929 -13.586 1.00 0.00 H new ATOM 0 HB THR A 100 1.708 -2.627 -14.897 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.620 -0.454 -15.154 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.031 -1.216 -16.816 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.317 -2.222 -16.233 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.258 -0.491 -15.826 1.00 0.00 H new ATOM 1568 N ALA A 101 1.890 -3.005 -12.091 1.00 0.00 N ATOM 1569 CA ALA A 101 2.974 -2.949 -11.126 1.00 0.00 C ATOM 1570 C ALA A 101 4.108 -3.779 -11.670 1.00 0.00 C ATOM 1571 O ALA A 101 3.841 -4.705 -12.419 1.00 0.00 O ATOM 1572 CB ALA A 101 2.523 -3.397 -9.720 1.00 0.00 C ATOM 0 H ALA A 101 1.798 -3.891 -12.589 1.00 0.00 H new ATOM 0 HA ALA A 101 3.309 -1.920 -10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.366 -3.339 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.723 -2.745 -9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.161 -4.424 -9.764 1.00 0.00 H new ATOM 1578 N GLU A 102 5.372 -3.448 -11.330 1.00 0.00 N ATOM 1579 CA GLU A 102 6.493 -4.160 -11.933 1.00 0.00 C ATOM 1580 C GLU A 102 7.690 -4.097 -11.030 1.00 0.00 C ATOM 1581 O GLU A 102 7.779 -3.162 -10.251 1.00 0.00 O ATOM 1582 CB GLU A 102 6.900 -3.525 -13.290 1.00 0.00 C ATOM 1583 CG GLU A 102 7.523 -2.112 -13.132 1.00 0.00 C ATOM 1584 CD GLU A 102 7.722 -1.456 -14.474 1.00 0.00 C ATOM 1585 OE1 GLU A 102 6.704 -1.027 -15.081 1.00 0.00 O ATOM 1586 OE2 GLU A 102 8.894 -1.359 -14.931 1.00 0.00 O ATOM 0 H GLU A 102 5.626 -2.718 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 102 6.174 -5.191 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.615 -4.178 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.022 -3.460 -13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.875 -1.492 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.480 -2.188 -12.615 1.00 0.00 H new ATOM 1593 N ILE A 103 8.619 -5.065 -11.172 1.00 0.00 N ATOM 1594 CA ILE A 103 9.900 -4.979 -10.482 1.00 0.00 C ATOM 1595 C ILE A 103 10.864 -4.547 -11.556 1.00 0.00 C ATOM 1596 O ILE A 103 10.667 -4.938 -12.697 1.00 0.00 O ATOM 1597 CB ILE A 103 10.325 -6.342 -9.858 1.00 0.00 C ATOM 1598 CG1 ILE A 103 9.346 -6.794 -8.730 1.00 0.00 C ATOM 1599 CG2 ILE A 103 11.805 -6.327 -9.377 1.00 0.00 C ATOM 1600 CD1 ILE A 103 9.538 -6.051 -7.379 1.00 0.00 C ATOM 0 H ILE A 103 8.500 -5.897 -11.750 1.00 0.00 H new ATOM 0 HA ILE A 103 9.864 -4.287 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 103 10.261 -7.088 -10.650 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.322 -6.643 -9.072 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.472 -7.864 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.058 -7.297 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.461 -6.121 -10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.934 -5.552 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 103 8.818 -6.426 -6.652 1.00 0.00 H new ATOM 0 HD12 ILE A 103 10.549 -6.222 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.382 -4.982 -7.526 1.00 0.00 H new ATOM 1612 N VAL A 104 11.897 -3.745 -11.218 1.00 0.00 N ATOM 1613 CA VAL A 104 12.833 -3.290 -12.242 1.00 0.00 C ATOM 1614 C VAL A 104 14.208 -3.151 -11.623 1.00 0.00 C ATOM 1615 O VAL A 104 14.287 -2.560 -10.559 1.00 0.00 O ATOM 1616 CB VAL A 104 12.280 -1.998 -12.909 1.00 0.00 C ATOM 1617 CG1 VAL A 104 11.835 -0.931 -11.871 1.00 0.00 C ATOM 1618 CG2 VAL A 104 13.318 -1.400 -13.895 1.00 0.00 C ATOM 0 H VAL A 104 12.092 -3.414 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 104 12.938 -4.014 -13.050 1.00 0.00 H new ATOM 0 HB VAL A 104 11.389 -2.290 -13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.458 -0.051 -12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 104 11.048 -1.344 -11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.686 -0.649 -11.252 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.910 -0.497 -14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 104 14.232 -1.153 -13.355 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.542 -2.129 -14.674 1.00 0.00 H new ATOM 1628 N ASP A 105 15.280 -3.702 -12.250 1.00 0.00 N ATOM 1629 CA ASP A 105 16.603 -3.710 -11.624 1.00 0.00 C ATOM 1630 C ASP A 105 16.513 -4.308 -10.231 1.00 0.00 C ATOM 1631 O ASP A 105 16.673 -5.513 -10.108 1.00 0.00 O ATOM 1632 CB ASP A 105 17.277 -2.315 -11.729 1.00 0.00 C ATOM 1633 CG ASP A 105 17.577 -1.989 -13.171 1.00 0.00 C ATOM 1634 OD1 ASP A 105 16.617 -1.965 -13.988 1.00 0.00 O ATOM 1635 OD2 ASP A 105 18.771 -1.754 -13.503 1.00 0.00 O ATOM 0 H ASP A 105 15.244 -4.136 -13.172 1.00 0.00 H new ATOM 0 HA ASP A 105 17.284 -4.366 -12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 105 16.622 -1.554 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.198 -2.303 -11.147 1.00 0.00 H new ATOM 1640 N GLY A 106 16.244 -3.512 -9.172 1.00 0.00 N ATOM 1641 CA GLY A 106 16.057 -4.072 -7.833 1.00 0.00 C ATOM 1642 C GLY A 106 15.173 -3.137 -7.042 1.00 0.00 C ATOM 1643 O GLY A 106 15.494 -2.796 -5.914 1.00 0.00 O ATOM 0 H GLY A 106 16.154 -2.497 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.602 -5.061 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.019 -4.195 -7.336 1.00 0.00 H new ATOM 1647 N LYS A 107 14.053 -2.718 -7.672 1.00 0.00 N ATOM 1648 CA LYS A 107 13.168 -1.708 -7.097 1.00 0.00 C ATOM 1649 C LYS A 107 11.762 -2.054 -7.517 1.00 0.00 C ATOM 1650 O LYS A 107 11.621 -2.855 -8.427 1.00 0.00 O ATOM 1651 CB LYS A 107 13.522 -0.309 -7.675 1.00 0.00 C ATOM 1652 CG LYS A 107 14.941 0.200 -7.297 1.00 0.00 C ATOM 1653 CD LYS A 107 15.083 0.552 -5.790 1.00 0.00 C ATOM 1654 CE LYS A 107 16.494 1.124 -5.478 1.00 0.00 C ATOM 1655 NZ LYS A 107 16.646 1.451 -4.042 1.00 0.00 N ATOM 0 H LYS A 107 13.749 -3.071 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 107 13.271 -1.686 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.440 -0.346 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.785 0.413 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.675 -0.563 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.174 1.082 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.322 1.281 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.907 -0.339 -5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.254 0.398 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.664 2.020 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.599 1.830 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.937 2.162 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 16.508 0.591 -3.474 1.00 0.00 H new ATOM 1669 N LEU A 108 10.736 -1.456 -6.873 1.00 0.00 N ATOM 1670 CA LEU A 108 9.351 -1.728 -7.253 1.00 0.00 C ATOM 1671 C LEU A 108 8.820 -0.464 -7.879 1.00 0.00 C ATOM 1672 O LEU A 108 9.186 0.607 -7.422 1.00 0.00 O ATOM 1673 CB LEU A 108 8.526 -2.136 -6.000 1.00 0.00 C ATOM 1674 CG LEU A 108 6.987 -2.261 -6.224 1.00 0.00 C ATOM 1675 CD1 LEU A 108 6.621 -3.550 -7.009 1.00 0.00 C ATOM 1676 CD2 LEU A 108 6.234 -2.271 -4.863 1.00 0.00 C ATOM 0 H LEU A 108 10.846 -0.796 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 108 9.281 -2.555 -7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.902 -3.092 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.703 -1.402 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 108 6.682 -1.395 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.541 -3.599 -7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.108 -3.533 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.957 -4.424 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.162 -2.359 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.573 -3.117 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.438 -1.344 -4.327 1.00 0.00 H new ATOM 1688 N VAL A 109 7.967 -0.568 -8.921 1.00 0.00 N ATOM 1689 CA VAL A 109 7.434 0.623 -9.575 1.00 0.00 C ATOM 1690 C VAL A 109 6.011 0.319 -9.971 1.00 0.00 C ATOM 1691 O VAL A 109 5.741 -0.837 -10.255 1.00 0.00 O ATOM 1692 CB VAL A 109 8.340 0.976 -10.792 1.00 0.00 C ATOM 1693 CG1 VAL A 109 7.634 1.947 -11.775 1.00 0.00 C ATOM 1694 CG2 VAL A 109 9.699 1.571 -10.325 1.00 0.00 C ATOM 0 H VAL A 109 7.644 -1.452 -9.314 1.00 0.00 H new ATOM 0 HA VAL A 109 7.430 1.494 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 109 8.534 0.045 -11.325 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.300 2.168 -12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.722 1.484 -12.151 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.384 2.872 -11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.311 1.808 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.520 2.479 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.220 0.844 -9.703 1.00 0.00 H new ATOM 1704 N GLU A 110 5.089 1.313 -9.990 1.00 0.00 N ATOM 1705 CA GLU A 110 3.706 1.001 -10.349 1.00 0.00 C ATOM 1706 C GLU A 110 2.974 2.222 -10.834 1.00 0.00 C ATOM 1707 O GLU A 110 3.426 3.315 -10.533 1.00 0.00 O ATOM 1708 CB GLU A 110 2.983 0.300 -9.161 1.00 0.00 C ATOM 1709 CG GLU A 110 2.803 1.199 -7.907 1.00 0.00 C ATOM 1710 CD GLU A 110 1.554 2.048 -7.982 1.00 0.00 C ATOM 1711 OE1 GLU A 110 1.544 3.067 -8.720 1.00 0.00 O ATOM 1712 OE2 GLU A 110 0.555 1.710 -7.290 1.00 0.00 O ATOM 0 H GLU A 110 5.276 2.291 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 110 3.712 0.301 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.002 -0.039 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.548 -0.589 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.760 0.572 -7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.673 1.846 -7.799 1.00 0.00 H new ATOM 1719 N VAL A 111 1.859 2.044 -11.587 1.00 0.00 N ATOM 1720 CA VAL A 111 1.131 3.198 -12.117 1.00 0.00 C ATOM 1721 C VAL A 111 -0.353 2.921 -12.188 1.00 0.00 C ATOM 1722 O VAL A 111 -0.724 1.759 -12.197 1.00 0.00 O ATOM 1723 CB VAL A 111 1.621 3.601 -13.548 1.00 0.00 C ATOM 1724 CG1 VAL A 111 3.164 3.473 -13.690 1.00 0.00 C ATOM 1725 CG2 VAL A 111 0.930 2.770 -14.668 1.00 0.00 C ATOM 0 H VAL A 111 1.463 1.136 -11.829 1.00 0.00 H new ATOM 0 HA VAL A 111 1.328 4.019 -11.428 1.00 0.00 H new ATOM 0 HB VAL A 111 1.339 4.647 -13.672 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.462 3.762 -14.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.651 4.126 -12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.462 2.441 -13.506 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.305 3.088 -15.641 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.149 1.712 -14.523 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.148 2.927 -14.625 1.00 0.00 H new ATOM 1735 N SER A 112 -1.188 3.982 -12.295 1.00 0.00 N ATOM 1736 CA SER A 112 -2.591 3.809 -12.696 1.00 0.00 C ATOM 1737 C SER A 112 -2.837 4.777 -13.822 1.00 0.00 C ATOM 1738 O SER A 112 -2.246 5.844 -13.771 1.00 0.00 O ATOM 1739 CB SER A 112 -3.627 4.024 -11.563 1.00 0.00 C ATOM 1740 OG SER A 112 -4.911 3.491 -11.926 1.00 0.00 O ATOM 0 H SER A 112 -0.914 4.947 -12.111 1.00 0.00 H new ATOM 0 HA SER A 112 -2.733 2.769 -12.991 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.276 3.544 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.720 5.089 -11.348 1.00 0.00 H new ATOM 0 HG SER A 112 -5.470 3.411 -11.125 1.00 0.00 H new ATOM 1746 N THR A 113 -3.666 4.445 -14.840 1.00 0.00 N ATOM 1747 CA THR A 113 -3.812 5.342 -15.982 1.00 0.00 C ATOM 1748 C THR A 113 -5.240 5.347 -16.475 1.00 0.00 C ATOM 1749 O THR A 113 -5.918 4.347 -16.300 1.00 0.00 O ATOM 1750 CB THR A 113 -2.744 4.944 -17.036 1.00 0.00 C ATOM 1751 OG1 THR A 113 -1.460 5.019 -16.389 1.00 0.00 O ATOM 1752 CG2 THR A 113 -2.760 5.858 -18.289 1.00 0.00 C ATOM 0 H THR A 113 -4.221 3.590 -14.885 1.00 0.00 H new ATOM 0 HA THR A 113 -3.624 6.382 -15.715 1.00 0.00 H new ATOM 0 HB THR A 113 -2.961 3.938 -17.395 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.758 4.772 -17.026 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.991 5.530 -18.989 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.737 5.800 -18.769 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.563 6.888 -17.991 1.00 0.00 H new ATOM 1760 N VAL A 114 -5.703 6.482 -17.058 1.00 0.00 N ATOM 1761 CA VAL A 114 -7.106 6.616 -17.446 1.00 0.00 C ATOM 1762 C VAL A 114 -7.106 7.214 -18.834 1.00 0.00 C ATOM 1763 O VAL A 114 -7.615 8.301 -19.054 1.00 0.00 O ATOM 1764 CB VAL A 114 -7.879 7.384 -16.326 1.00 0.00 C ATOM 1765 CG1 VAL A 114 -7.266 8.772 -15.990 1.00 0.00 C ATOM 1766 CG2 VAL A 114 -9.394 7.522 -16.651 1.00 0.00 C ATOM 0 H VAL A 114 -5.126 7.298 -17.262 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.655 5.677 -17.521 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.772 6.767 -15.434 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.853 9.249 -15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.239 8.643 -15.648 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -7.275 9.399 -16.881 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -9.891 8.062 -15.845 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.517 8.070 -17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.837 6.531 -16.750 1.00 0.00 H new ATOM 1776 N GLY A 115 -6.502 6.479 -19.798 1.00 0.00 N ATOM 1777 CA GLY A 115 -6.394 6.994 -21.158 1.00 0.00 C ATOM 1778 C GLY A 115 -5.385 8.118 -21.185 1.00 0.00 C ATOM 1779 O GLY A 115 -4.230 7.872 -21.491 1.00 0.00 O ATOM 0 H GLY A 115 -6.096 5.554 -19.653 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.088 6.199 -21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.364 7.352 -21.502 1.00 0.00 H new ATOM 1783 N GLY A 116 -5.811 9.362 -20.866 1.00 0.00 N ATOM 1784 CA GLY A 116 -4.907 10.504 -20.975 1.00 0.00 C ATOM 1785 C GLY A 116 -4.012 10.646 -19.769 1.00 0.00 C ATOM 1786 O GLY A 116 -2.802 10.673 -19.934 1.00 0.00 O ATOM 0 H GLY A 116 -6.751 9.586 -20.541 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -4.293 10.394 -21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -5.491 11.416 -21.100 1.00 0.00 H new ATOM 1790 N VAL A 117 -4.590 10.772 -18.551 1.00 0.00 N ATOM 1791 CA VAL A 117 -3.782 11.133 -17.384 1.00 0.00 C ATOM 1792 C VAL A 117 -3.196 9.884 -16.776 1.00 0.00 C ATOM 1793 O VAL A 117 -3.848 8.855 -16.847 1.00 0.00 O ATOM 1794 CB VAL A 117 -4.619 11.927 -16.337 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -3.816 12.220 -15.040 1.00 0.00 C ATOM 1796 CG2 VAL A 117 -5.115 13.265 -16.954 1.00 0.00 C ATOM 0 H VAL A 117 -5.583 10.632 -18.363 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.972 11.787 -17.706 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.470 11.302 -16.066 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.442 12.775 -14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.508 11.280 -14.583 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.933 12.811 -15.284 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.699 13.812 -16.214 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.258 13.866 -17.257 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.737 13.056 -17.825 1.00 0.00 H new ATOM 1806 N SER A 118 -1.980 9.977 -16.178 1.00 0.00 N ATOM 1807 CA SER A 118 -1.364 8.833 -15.509 1.00 0.00 C ATOM 1808 C SER A 118 -1.151 9.150 -14.048 1.00 0.00 C ATOM 1809 O SER A 118 -1.221 10.310 -13.675 1.00 0.00 O ATOM 1810 CB SER A 118 -0.024 8.429 -16.180 1.00 0.00 C ATOM 1811 OG SER A 118 1.015 9.395 -15.950 1.00 0.00 O ATOM 0 H SER A 118 -1.422 10.830 -16.153 1.00 0.00 H new ATOM 0 HA SER A 118 -2.040 7.983 -15.599 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.294 7.459 -15.797 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.178 8.313 -17.253 1.00 0.00 H new ATOM 0 HG SER A 118 1.840 9.099 -16.389 1.00 0.00 H new ATOM 1817 N TYR A 119 -0.893 8.112 -13.220 1.00 0.00 N ATOM 1818 CA TYR A 119 -0.662 8.311 -11.790 1.00 0.00 C ATOM 1819 C TYR A 119 0.511 7.438 -11.436 1.00 0.00 C ATOM 1820 O TYR A 119 0.331 6.375 -10.865 1.00 0.00 O ATOM 1821 CB TYR A 119 -1.937 7.895 -11.022 1.00 0.00 C ATOM 1822 CG TYR A 119 -1.915 8.089 -9.497 1.00 0.00 C ATOM 1823 CD1 TYR A 119 -0.782 8.491 -8.779 1.00 0.00 C ATOM 1824 CD2 TYR A 119 -3.100 7.841 -8.796 1.00 0.00 C ATOM 1825 CE1 TYR A 119 -0.827 8.606 -7.388 1.00 0.00 C ATOM 1826 CE2 TYR A 119 -3.159 8.000 -7.410 1.00 0.00 C ATOM 1827 CZ TYR A 119 -2.017 8.364 -6.692 1.00 0.00 C ATOM 1828 OH TYR A 119 -2.087 8.474 -5.299 1.00 0.00 O ATOM 0 H TYR A 119 -0.842 7.140 -13.524 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.448 9.348 -11.531 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.777 8.460 -11.425 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -2.132 6.843 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.134 8.714 -9.305 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -3.981 7.522 -9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 119 0.064 8.884 -6.845 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -4.092 7.841 -6.890 1.00 0.00 H new ATOM 0 HH TYR A 119 -2.997 8.269 -5.000 1.00 0.00 H new ATOM 1838 N GLU A 120 1.728 7.892 -11.797 1.00 0.00 N ATOM 1839 CA GLU A 120 2.887 7.035 -11.605 1.00 0.00 C ATOM 1840 C GLU A 120 3.305 7.061 -10.156 1.00 0.00 C ATOM 1841 O GLU A 120 3.082 8.059 -9.490 1.00 0.00 O ATOM 1842 CB GLU A 120 4.099 7.477 -12.466 1.00 0.00 C ATOM 1843 CG GLU A 120 3.785 7.474 -13.986 1.00 0.00 C ATOM 1844 CD GLU A 120 4.977 8.012 -14.737 1.00 0.00 C ATOM 1845 OE1 GLU A 120 5.098 9.264 -14.841 1.00 0.00 O ATOM 1846 OE2 GLU A 120 5.803 7.193 -15.222 1.00 0.00 O ATOM 0 H GLU A 120 1.918 8.808 -12.204 1.00 0.00 H new ATOM 0 HA GLU A 120 2.593 6.032 -11.913 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.408 8.478 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.940 6.812 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.555 6.462 -14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.905 8.085 -14.190 1.00 0.00 H new ATOM 1853 N ARG A 121 3.936 5.966 -9.677 1.00 0.00 N ATOM 1854 CA ARG A 121 4.548 5.967 -8.351 1.00 0.00 C ATOM 1855 C ARG A 121 5.819 5.154 -8.435 1.00 0.00 C ATOM 1856 O ARG A 121 5.911 4.322 -9.326 1.00 0.00 O ATOM 1857 CB ARG A 121 3.637 5.320 -7.276 1.00 0.00 C ATOM 1858 CG ARG A 121 2.176 5.845 -7.294 1.00 0.00 C ATOM 1859 CD ARG A 121 1.357 5.195 -6.141 1.00 0.00 C ATOM 1860 NE ARG A 121 -0.089 5.358 -6.290 1.00 0.00 N ATOM 1861 CZ ARG A 121 -0.969 4.791 -5.489 1.00 0.00 C ATOM 1862 NH1 ARG A 121 -0.623 4.055 -4.457 1.00 0.00 N ATOM 1863 NH2 ARG A 121 -2.250 4.958 -5.726 1.00 0.00 N ATOM 0 H ARG A 121 4.029 5.088 -10.188 1.00 0.00 H new ATOM 0 HA ARG A 121 4.727 7.002 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.627 4.240 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.067 5.503 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.170 6.930 -7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.712 5.617 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.592 4.132 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.668 5.633 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.434 5.940 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.363 3.902 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.341 3.637 -3.865 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.552 5.520 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.942 4.525 -5.115 1.00 0.00 H new ATOM 1877 N VAL A 122 6.787 5.377 -7.515 1.00 0.00 N ATOM 1878 CA VAL A 122 8.032 4.609 -7.533 1.00 0.00 C ATOM 1879 C VAL A 122 8.313 4.113 -6.135 1.00 0.00 C ATOM 1880 O VAL A 122 7.852 4.746 -5.197 1.00 0.00 O ATOM 1881 CB VAL A 122 9.209 5.422 -8.143 1.00 0.00 C ATOM 1882 CG1 VAL A 122 8.884 5.833 -9.605 1.00 0.00 C ATOM 1883 CG2 VAL A 122 9.539 6.680 -7.296 1.00 0.00 C ATOM 0 H VAL A 122 6.723 6.070 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 122 7.922 3.745 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 122 10.088 4.778 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.718 6.401 -10.017 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.722 4.939 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.984 6.448 -9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.366 7.221 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 122 8.663 7.327 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.819 6.376 -6.287 1.00 0.00 H new ATOM 1893 N SER A 123 9.039 2.980 -5.977 1.00 0.00 N ATOM 1894 CA SER A 123 9.147 2.360 -4.660 1.00 0.00 C ATOM 1895 C SER A 123 10.399 1.524 -4.547 1.00 0.00 C ATOM 1896 O SER A 123 11.008 1.237 -5.565 1.00 0.00 O ATOM 1897 CB SER A 123 7.875 1.496 -4.456 1.00 0.00 C ATOM 1898 OG SER A 123 6.736 2.359 -4.288 1.00 0.00 O ATOM 0 H SER A 123 9.539 2.500 -6.725 1.00 0.00 H new ATOM 0 HA SER A 123 9.219 3.124 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.725 0.840 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.993 0.856 -3.582 1.00 0.00 H new ATOM 0 HG SER A 123 5.930 1.816 -4.161 1.00 0.00 H new ATOM 1904 N LYS A 124 10.785 1.134 -3.307 1.00 0.00 N ATOM 1905 CA LYS A 124 11.965 0.290 -3.107 1.00 0.00 C ATOM 1906 C LYS A 124 11.612 -0.895 -2.250 1.00 0.00 C ATOM 1907 O LYS A 124 10.536 -0.882 -1.676 1.00 0.00 O ATOM 1908 CB LYS A 124 13.150 1.129 -2.559 1.00 0.00 C ATOM 1909 CG LYS A 124 13.024 1.639 -1.092 1.00 0.00 C ATOM 1910 CD LYS A 124 13.182 0.531 -0.012 1.00 0.00 C ATOM 1911 CE LYS A 124 13.446 1.129 1.397 1.00 0.00 C ATOM 1912 NZ LYS A 124 13.515 0.070 2.429 1.00 0.00 N ATOM 0 H LYS A 124 10.298 1.391 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 124 12.302 -0.110 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 124 14.056 0.528 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.285 1.993 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.779 2.407 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.051 2.115 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.280 -0.080 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.005 -0.129 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.380 1.690 1.386 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.654 1.834 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.759 0.495 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.592 -0.404 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.242 -0.625 2.165 1.00 0.00 H new ATOM 1926 N LYS A 125 12.499 -1.917 -2.167 1.00 0.00 N ATOM 1927 CA LYS A 125 12.185 -3.129 -1.411 1.00 0.00 C ATOM 1928 C LYS A 125 12.903 -3.165 -0.080 1.00 0.00 C ATOM 1929 O LYS A 125 14.091 -2.889 -0.067 1.00 0.00 O ATOM 1930 CB LYS A 125 12.591 -4.389 -2.227 1.00 0.00 C ATOM 1931 CG LYS A 125 12.048 -5.704 -1.590 1.00 0.00 C ATOM 1932 CD LYS A 125 12.345 -6.978 -2.437 1.00 0.00 C ATOM 1933 CE LYS A 125 13.623 -7.753 -2.007 1.00 0.00 C ATOM 1934 NZ LYS A 125 14.863 -6.944 -2.016 1.00 0.00 N ATOM 0 H LYS A 125 13.418 -1.917 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 125 11.110 -3.123 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.213 -4.298 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.678 -4.442 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.487 -5.826 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.971 -5.613 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 125 11.489 -7.650 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.445 -6.689 -3.483 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.471 -8.151 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.756 -8.607 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.665 -7.535 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.036 -6.585 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.760 -6.143 -1.360 1.00 0.00 H new ATOM 1948 N LEU A 126 12.213 -3.525 1.032 1.00 0.00 N ATOM 1949 CA LEU A 126 12.906 -3.780 2.296 1.00 0.00 C ATOM 1950 C LEU A 126 13.317 -5.236 2.257 1.00 0.00 C ATOM 1951 O LEU A 126 14.505 -5.493 2.367 1.00 0.00 O ATOM 1952 CB LEU A 126 11.990 -3.447 3.512 1.00 0.00 C ATOM 1953 CG LEU A 126 12.709 -3.236 4.878 1.00 0.00 C ATOM 1954 CD1 LEU A 126 11.687 -2.708 5.926 1.00 0.00 C ATOM 1955 CD2 LEU A 126 13.366 -4.541 5.404 1.00 0.00 C ATOM 0 H LEU A 126 11.200 -3.640 1.069 1.00 0.00 H new ATOM 0 HA LEU A 126 13.782 -3.143 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.426 -2.544 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 126 11.266 -4.254 3.627 1.00 0.00 H new ATOM 0 HG LEU A 126 13.505 -2.507 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.190 -2.560 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.272 -1.760 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 126 10.883 -3.433 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.854 -4.343 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.600 -5.305 5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.105 -4.892 4.684 1.00 0.00 H new ATOM 1967 N ALA A 127 12.340 -6.164 2.087 1.00 0.00 N ATOM 1968 CA ALA A 127 12.575 -7.612 2.086 1.00 0.00 C ATOM 1969 C ALA A 127 11.846 -8.207 3.263 1.00 0.00 C ATOM 1970 O ALA A 127 11.387 -7.497 4.143 1.00 0.00 O ATOM 1971 CB ALA A 127 14.037 -8.133 2.106 1.00 0.00 C ATOM 0 H ALA A 127 11.361 -5.914 1.946 1.00 0.00 H new ATOM 0 HA ALA A 127 12.209 -7.927 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.035 -9.223 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.565 -7.768 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.539 -7.774 3.004 1.00 0.00 H new TER 1977 ALA A 127