USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 964 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 13 THR OG1 : rot 180:sc= 0.126 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0438 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 0.282 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 45:sc= 0.936 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.24) USER MOD Single : A 24 SER OG : rot 130:sc= 0.166 USER MOD Single : A 29 MET CE :methyl 178:sc= 0 (180deg=-0.00562) USER MOD Single : A 33 TYR OH : rot -81:sc= 0.292 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.13) USER MOD Single : A 40 CYS SG : rot 140:sc= 0.487 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 0.0147 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.19 F(o=-3.5!,f=-1.2) USER MOD Single : A 58 THR OG1 : rot -54:sc= 1.34 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -2.23 (180deg=-2.97) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0.0739 (180deg=0.0739) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.79! C(o=-3.8!,f=-5.8!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -70:sc= 1.01 USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.321 (180deg=-0.608) USER MOD Single : A 91 GLN : amide:sc= -3.17! C(o=-3.2!,f=-6.5!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 50:sc= -1.02 USER MOD Single : A 99 TYR OH : rot -19:sc= 0.453 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0.0344 K(o=0.034,f=-2.6!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.318 5.842 -9.124 1.00 0.00 N ATOM 2 CA GLY A 1 -13.422 6.816 -8.530 1.00 0.00 C ATOM 3 C GLY A 1 -12.964 6.413 -7.142 1.00 0.00 C ATOM 4 O GLY A 1 -13.643 5.651 -6.454 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.813 5.311 -9.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.651 5.184 -8.391 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.133 6.332 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.552 6.944 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.924 7.782 -8.477 1.00 0.00 H new ATOM 8 N SER A 2 -11.808 6.924 -6.731 1.00 0.00 N ATOM 9 CA SER A 2 -11.257 6.608 -5.418 1.00 0.00 C ATOM 10 C SER A 2 -12.355 6.582 -4.359 1.00 0.00 C ATOM 11 O SER A 2 -12.846 7.628 -3.933 1.00 0.00 O ATOM 12 CB SER A 2 -10.184 7.628 -5.032 1.00 0.00 C ATOM 13 OG SER A 2 -9.568 7.281 -3.804 1.00 0.00 O ATOM 0 H SER A 2 -11.235 7.558 -7.288 1.00 0.00 H new ATOM 0 HA SER A 2 -10.804 5.618 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.430 7.683 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.632 8.618 -4.951 1.00 0.00 H new ATOM 0 HG SER A 2 -8.885 7.948 -3.581 1.00 0.00 H new ATOM 19 N SER A 3 -12.736 5.380 -3.940 1.00 0.00 N ATOM 20 CA SER A 3 -13.780 5.217 -2.934 1.00 0.00 C ATOM 21 C SER A 3 -13.173 5.041 -1.545 1.00 0.00 C ATOM 22 O SER A 3 -13.392 5.858 -0.652 1.00 0.00 O ATOM 23 CB SER A 3 -14.661 4.013 -3.274 1.00 0.00 C ATOM 24 OG SER A 3 -15.488 4.286 -4.392 1.00 0.00 O ATOM 0 H SER A 3 -12.338 4.505 -4.281 1.00 0.00 H new ATOM 0 HA SER A 3 -14.393 6.118 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.033 3.147 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.280 3.757 -2.414 1.00 0.00 H new ATOM 0 HG SER A 3 -14.959 4.726 -5.090 1.00 0.00 H new ATOM 30 N GLY A 4 -12.406 3.968 -1.372 1.00 0.00 N ATOM 31 CA GLY A 4 -11.779 3.704 -0.091 1.00 0.00 C ATOM 32 C GLY A 4 -12.681 2.925 0.847 1.00 0.00 C ATOM 33 O GLY A 4 -13.809 3.336 1.117 1.00 0.00 O ATOM 0 H GLY A 4 -12.208 3.278 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.856 3.146 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.503 4.649 0.377 1.00 0.00 H new ATOM 37 N SER A 5 -12.183 1.797 1.342 1.00 0.00 N ATOM 38 CA SER A 5 -12.954 0.956 2.250 1.00 0.00 C ATOM 39 C SER A 5 -12.227 0.784 3.581 1.00 0.00 C ATOM 40 O SER A 5 -12.599 -0.057 4.400 1.00 0.00 O ATOM 41 CB SER A 5 -13.213 -0.412 1.617 1.00 0.00 C ATOM 42 OG SER A 5 -12.023 -1.181 1.559 1.00 0.00 O ATOM 0 H SER A 5 -11.250 1.444 1.130 1.00 0.00 H new ATOM 0 HA SER A 5 -13.909 1.448 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.967 -0.946 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.614 -0.281 0.612 1.00 0.00 H new ATOM 0 HG SER A 5 -12.216 -2.051 1.152 1.00 0.00 H new ATOM 48 N SER A 6 -11.188 1.586 3.788 1.00 0.00 N ATOM 49 CA SER A 6 -10.405 1.521 5.016 1.00 0.00 C ATOM 50 C SER A 6 -9.366 2.638 5.058 1.00 0.00 C ATOM 51 O SER A 6 -8.392 2.623 4.308 1.00 0.00 O ATOM 52 CB SER A 6 -9.713 0.161 5.134 1.00 0.00 C ATOM 53 OG SER A 6 -8.608 0.073 4.251 1.00 0.00 O ATOM 0 H SER A 6 -10.869 2.289 3.121 1.00 0.00 H new ATOM 0 HA SER A 6 -11.085 1.649 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.376 0.009 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.425 -0.634 4.911 1.00 0.00 H new ATOM 0 HG SER A 6 -8.087 0.902 4.295 1.00 0.00 H new ATOM 59 N GLY A 7 -9.583 3.606 5.943 1.00 0.00 N ATOM 60 CA GLY A 7 -8.659 4.718 6.068 1.00 0.00 C ATOM 61 C GLY A 7 -8.396 5.405 4.742 1.00 0.00 C ATOM 62 O GLY A 7 -9.315 5.932 4.115 1.00 0.00 O ATOM 0 H GLY A 7 -10.382 3.640 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.061 5.443 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.716 4.359 6.481 1.00 0.00 H new ATOM 66 N ASP A 8 -7.138 5.400 4.315 1.00 0.00 N ATOM 67 CA ASP A 8 -6.756 6.028 3.055 1.00 0.00 C ATOM 68 C ASP A 8 -6.157 5.003 2.097 1.00 0.00 C ATOM 69 O ASP A 8 -5.602 5.359 1.057 1.00 0.00 O ATOM 70 CB ASP A 8 -5.755 7.156 3.306 1.00 0.00 C ATOM 71 CG ASP A 8 -5.343 7.859 2.028 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.156 8.642 1.492 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.207 7.628 1.563 1.00 0.00 O ATOM 0 H ASP A 8 -6.366 4.968 4.822 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.654 6.445 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.194 7.881 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.870 6.750 3.796 1.00 0.00 H new ATOM 78 N VAL A 9 -6.273 3.728 2.454 1.00 0.00 N ATOM 79 CA VAL A 9 -5.743 2.651 1.626 1.00 0.00 C ATOM 80 C VAL A 9 -6.420 2.623 0.261 1.00 0.00 C ATOM 81 O VAL A 9 -7.638 2.468 0.164 1.00 0.00 O ATOM 82 CB VAL A 9 -5.924 1.280 2.305 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.302 0.179 1.460 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.324 1.294 3.703 1.00 0.00 C ATOM 0 H VAL A 9 -6.729 3.416 3.311 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.679 2.846 1.496 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.991 1.077 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.440 -0.782 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.783 0.155 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.237 0.374 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.461 0.318 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.259 1.520 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.821 2.055 4.305 1.00 0.00 H new ATOM 94 N ILE A 10 -5.624 2.774 -0.792 1.00 0.00 N ATOM 95 CA ILE A 10 -6.147 2.764 -2.152 1.00 0.00 C ATOM 96 C ILE A 10 -6.096 1.363 -2.751 1.00 0.00 C ATOM 97 O ILE A 10 -5.127 0.630 -2.558 1.00 0.00 O ATOM 98 CB ILE A 10 -5.363 3.728 -3.063 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.560 5.174 -2.602 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.802 3.563 -4.511 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.572 6.143 -3.213 1.00 0.00 C ATOM 0 H ILE A 10 -4.614 2.905 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.184 3.094 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.302 3.487 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.572 5.492 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.473 5.216 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.239 4.251 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.615 2.539 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.867 3.781 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.771 7.148 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.558 5.849 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.674 6.130 -4.298 1.00 0.00 H new ATOM 113 N GLU A 11 -7.147 0.998 -3.480 1.00 0.00 N ATOM 114 CA GLU A 11 -7.221 -0.316 -4.107 1.00 0.00 C ATOM 115 C GLU A 11 -6.791 -0.245 -5.570 1.00 0.00 C ATOM 116 O GLU A 11 -7.277 0.591 -6.332 1.00 0.00 O ATOM 117 CB GLU A 11 -8.643 -0.873 -4.009 1.00 0.00 C ATOM 118 CG GLU A 11 -8.834 -2.185 -4.750 1.00 0.00 C ATOM 119 CD GLU A 11 -10.251 -2.716 -4.640 1.00 0.00 C ATOM 120 OE1 GLU A 11 -11.147 -2.154 -5.305 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.463 -3.691 -3.890 1.00 0.00 O ATOM 0 H GLU A 11 -7.957 1.593 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.540 -0.982 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.896 -1.018 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.341 -0.136 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.583 -2.044 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.140 -2.926 -4.353 1.00 0.00 H new ATOM 128 N LEU A 12 -5.875 -1.127 -5.954 1.00 0.00 N ATOM 129 CA LEU A 12 -5.377 -1.166 -7.325 1.00 0.00 C ATOM 130 C LEU A 12 -5.573 -2.549 -7.937 1.00 0.00 C ATOM 131 O LEU A 12 -5.783 -3.532 -7.224 1.00 0.00 O ATOM 132 CB LEU A 12 -3.897 -0.784 -7.362 1.00 0.00 C ATOM 133 CG LEU A 12 -3.517 0.505 -6.632 1.00 0.00 C ATOM 134 CD1 LEU A 12 -2.006 0.620 -6.503 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.087 1.716 -7.356 1.00 0.00 C ATOM 0 H LEU A 12 -5.462 -1.825 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.946 -0.446 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.320 -1.604 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.593 -0.691 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.945 0.472 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.755 1.543 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.623 -0.231 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.556 0.630 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.807 2.624 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.690 1.754 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.174 1.639 -7.395 1.00 0.00 H new ATOM 147 N THR A 13 -5.501 -2.621 -9.262 1.00 0.00 N ATOM 148 CA THR A 13 -5.669 -3.883 -9.970 1.00 0.00 C ATOM 149 C THR A 13 -4.416 -4.241 -10.761 1.00 0.00 C ATOM 150 O THR A 13 -3.447 -3.482 -10.784 1.00 0.00 O ATOM 151 CB THR A 13 -6.872 -3.833 -10.931 1.00 0.00 C ATOM 152 OG1 THR A 13 -6.662 -2.825 -11.926 1.00 0.00 O ATOM 153 CG2 THR A 13 -8.159 -3.544 -10.173 1.00 0.00 C ATOM 0 H THR A 13 -5.327 -1.818 -9.867 1.00 0.00 H new ATOM 0 HA THR A 13 -5.849 -4.647 -9.214 1.00 0.00 H new ATOM 0 HB THR A 13 -6.964 -4.806 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.430 -2.800 -12.534 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.994 -3.514 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.331 -4.329 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.075 -2.583 -9.666 1.00 0.00 H new ATOM 161 N ASP A 14 -4.442 -5.401 -11.408 1.00 0.00 N ATOM 162 CA ASP A 14 -3.308 -5.859 -12.202 1.00 0.00 C ATOM 163 C ASP A 14 -3.046 -4.915 -13.371 1.00 0.00 C ATOM 164 O ASP A 14 -1.949 -4.892 -13.930 1.00 0.00 O ATOM 165 CB ASP A 14 -3.560 -7.275 -12.721 1.00 0.00 C ATOM 166 CG ASP A 14 -4.752 -7.346 -13.655 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.895 -7.419 -13.155 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.543 -7.327 -14.886 1.00 0.00 O ATOM 0 H ASP A 14 -5.236 -6.041 -11.398 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.427 -5.867 -11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.672 -7.631 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.723 -7.945 -11.877 1.00 0.00 H new ATOM 173 N ASP A 15 -4.060 -4.138 -13.735 1.00 0.00 N ATOM 174 CA ASP A 15 -3.940 -3.191 -14.838 1.00 0.00 C ATOM 175 C ASP A 15 -3.874 -1.758 -14.319 1.00 0.00 C ATOM 176 O ASP A 15 -2.994 -0.988 -14.702 1.00 0.00 O ATOM 177 CB ASP A 15 -5.119 -3.344 -15.801 1.00 0.00 C ATOM 178 CG ASP A 15 -5.036 -4.618 -16.618 1.00 0.00 C ATOM 179 OD1 ASP A 15 -4.004 -4.826 -17.290 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.004 -5.407 -16.588 1.00 0.00 O ATOM 0 H ASP A 15 -4.974 -4.145 -13.283 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.015 -3.408 -15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.050 -3.339 -15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.150 -2.486 -16.473 1.00 0.00 H new ATOM 185 N SER A 16 -4.813 -1.407 -13.445 1.00 0.00 N ATOM 186 CA SER A 16 -4.865 -0.064 -12.878 1.00 0.00 C ATOM 187 C SER A 16 -3.584 0.250 -12.110 1.00 0.00 C ATOM 188 O SER A 16 -3.206 1.413 -11.960 1.00 0.00 O ATOM 189 CB SER A 16 -6.075 0.074 -11.952 1.00 0.00 C ATOM 190 OG SER A 16 -7.286 0.042 -12.687 1.00 0.00 O ATOM 0 H SER A 16 -5.547 -2.033 -13.115 1.00 0.00 H new ATOM 0 HA SER A 16 -4.961 0.648 -13.698 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.070 -0.733 -11.219 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.007 1.010 -11.397 1.00 0.00 H new ATOM 0 HG SER A 16 -8.044 0.130 -12.072 1.00 0.00 H new ATOM 196 N PHE A 17 -2.920 -0.794 -11.626 1.00 0.00 N ATOM 197 CA PHE A 17 -1.682 -0.630 -10.873 1.00 0.00 C ATOM 198 C PHE A 17 -0.628 0.091 -11.709 1.00 0.00 C ATOM 199 O PHE A 17 0.370 0.581 -11.181 1.00 0.00 O ATOM 200 CB PHE A 17 -1.149 -1.992 -10.425 1.00 0.00 C ATOM 201 CG PHE A 17 0.302 -1.970 -10.036 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.287 -1.808 -10.996 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.679 -2.111 -8.710 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.623 -1.788 -10.640 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.013 -2.092 -8.349 1.00 0.00 C ATOM 206 CZ PHE A 17 2.986 -1.929 -9.315 1.00 0.00 C ATOM 0 H PHE A 17 -3.218 -1.763 -11.742 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.899 -0.025 -9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.739 -2.343 -9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.290 -2.711 -11.232 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.009 -1.696 -12.034 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.078 -2.237 -7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.382 -1.662 -11.398 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.294 -2.205 -7.312 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.029 -1.912 -9.035 1.00 0.00 H new ATOM 216 N ASP A 18 -0.858 0.151 -13.016 1.00 0.00 N ATOM 217 CA ASP A 18 0.070 0.811 -13.926 1.00 0.00 C ATOM 218 C ASP A 18 -0.291 2.284 -14.096 1.00 0.00 C ATOM 219 O ASP A 18 0.562 3.162 -13.968 1.00 0.00 O ATOM 220 CB ASP A 18 0.069 0.113 -15.286 1.00 0.00 C ATOM 221 CG ASP A 18 -0.954 0.702 -16.238 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.802 1.883 -16.616 1.00 0.00 O ATOM 223 OD2 ASP A 18 -1.905 -0.019 -16.607 1.00 0.00 O ATOM 0 H ASP A 18 -1.679 -0.250 -13.469 1.00 0.00 H new ATOM 0 HA ASP A 18 1.069 0.747 -13.495 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.061 0.189 -15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.137 -0.948 -15.146 1.00 0.00 H new ATOM 228 N LYS A 19 -1.560 2.546 -14.386 1.00 0.00 N ATOM 229 CA LYS A 19 -2.036 3.912 -14.574 1.00 0.00 C ATOM 230 C LYS A 19 -2.132 4.643 -13.239 1.00 0.00 C ATOM 231 O LYS A 19 -2.398 5.844 -13.196 1.00 0.00 O ATOM 232 CB LYS A 19 -3.402 3.908 -15.265 1.00 0.00 C ATOM 233 CG LYS A 19 -4.572 3.861 -14.298 1.00 0.00 C ATOM 234 CD LYS A 19 -5.791 3.208 -14.928 1.00 0.00 C ATOM 235 CE LYS A 19 -7.083 3.769 -14.354 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.568 4.946 -15.126 1.00 0.00 N ATOM 0 H LYS A 19 -2.278 1.830 -14.496 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.318 4.437 -15.205 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.489 4.801 -15.885 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.459 3.049 -15.934 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.284 3.309 -13.404 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.824 4.873 -13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.772 3.365 -16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.755 2.131 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.848 2.993 -14.356 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.924 4.057 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.450 5.299 -14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.849 5.697 -15.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.744 4.666 -16.112 1.00 0.00 H new ATOM 250 N ASN A 20 -1.912 3.911 -12.151 1.00 0.00 N ATOM 251 CA ASN A 20 -1.973 4.491 -10.815 1.00 0.00 C ATOM 252 C ASN A 20 -0.572 4.709 -10.252 1.00 0.00 C ATOM 253 O ASN A 20 -0.339 5.638 -9.479 1.00 0.00 O ATOM 254 CB ASN A 20 -2.776 3.585 -9.879 1.00 0.00 C ATOM 255 CG ASN A 20 -4.265 3.866 -9.940 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.810 4.569 -9.089 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.930 3.315 -10.948 1.00 0.00 N ATOM 0 H ASN A 20 -1.690 2.916 -12.169 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.470 5.458 -10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.595 2.543 -10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.425 3.721 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.934 3.467 -11.040 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.437 2.739 -11.630 1.00 0.00 H new ATOM 264 N VAL A 21 0.359 3.844 -10.645 1.00 0.00 N ATOM 265 CA VAL A 21 1.737 3.942 -10.181 1.00 0.00 C ATOM 266 C VAL A 21 2.647 4.494 -11.274 1.00 0.00 C ATOM 267 O VAL A 21 3.238 5.563 -11.123 1.00 0.00 O ATOM 268 CB VAL A 21 2.274 2.573 -9.724 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.761 2.659 -9.412 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.496 2.071 -8.518 1.00 0.00 C ATOM 0 H VAL A 21 0.183 3.068 -11.283 1.00 0.00 H new ATOM 0 HA VAL A 21 1.737 4.626 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 21 2.139 1.860 -10.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.122 1.682 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.303 2.971 -10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.924 3.386 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.889 1.103 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.597 2.782 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.443 1.968 -8.781 1.00 0.00 H new ATOM 280 N LEU A 22 2.753 3.757 -12.374 1.00 0.00 N ATOM 281 CA LEU A 22 3.591 4.173 -13.494 1.00 0.00 C ATOM 282 C LEU A 22 3.124 5.512 -14.056 1.00 0.00 C ATOM 283 O LEU A 22 3.866 6.495 -14.042 1.00 0.00 O ATOM 284 CB LEU A 22 3.569 3.110 -14.595 1.00 0.00 C ATOM 285 CG LEU A 22 3.908 1.685 -14.158 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.063 0.778 -15.369 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.174 1.672 -13.314 1.00 0.00 C ATOM 0 H LEU A 22 2.270 2.870 -12.515 1.00 0.00 H new ATOM 0 HA LEU A 22 4.611 4.289 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.577 3.104 -15.047 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.272 3.407 -15.373 1.00 0.00 H new ATOM 0 HG LEU A 22 3.086 1.307 -13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.304 -0.232 -15.038 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.131 0.762 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.865 1.153 -16.004 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.400 0.649 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.004 2.070 -13.897 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.026 2.288 -12.427 1.00 0.00 H new ATOM 299 N ASP A 23 1.890 5.544 -14.547 1.00 0.00 N ATOM 300 CA ASP A 23 1.323 6.764 -15.110 1.00 0.00 C ATOM 301 C ASP A 23 1.367 7.903 -14.095 1.00 0.00 C ATOM 302 O ASP A 23 1.179 9.067 -14.446 1.00 0.00 O ATOM 303 CB ASP A 23 -0.118 6.521 -15.560 1.00 0.00 C ATOM 304 CG ASP A 23 -0.711 7.719 -16.276 1.00 0.00 C ATOM 305 OD1 ASP A 23 -1.008 8.726 -15.600 1.00 0.00 O ATOM 306 OD2 ASP A 23 -0.878 7.649 -17.512 1.00 0.00 O ATOM 0 H ASP A 23 1.263 4.739 -14.567 1.00 0.00 H new ATOM 0 HA ASP A 23 1.923 7.049 -15.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.148 5.655 -16.221 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.731 6.280 -14.691 1.00 0.00 H new ATOM 311 N SER A 24 1.616 7.557 -12.836 1.00 0.00 N ATOM 312 CA SER A 24 1.680 8.549 -11.769 1.00 0.00 C ATOM 313 C SER A 24 3.127 8.916 -11.454 1.00 0.00 C ATOM 314 O SER A 24 3.984 8.043 -11.322 1.00 0.00 O ATOM 315 CB SER A 24 0.990 8.021 -10.510 1.00 0.00 C ATOM 316 OG SER A 24 0.609 9.083 -9.653 1.00 0.00 O ATOM 0 H SER A 24 1.777 6.597 -12.530 1.00 0.00 H new ATOM 0 HA SER A 24 1.162 9.446 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.110 7.442 -10.790 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.661 7.345 -9.980 1.00 0.00 H new ATOM 0 HG SER A 24 -0.331 8.976 -9.398 1.00 0.00 H new ATOM 322 N GLU A 25 3.390 10.213 -11.334 1.00 0.00 N ATOM 323 CA GLU A 25 4.733 10.695 -11.035 1.00 0.00 C ATOM 324 C GLU A 25 4.945 10.816 -9.529 1.00 0.00 C ATOM 325 O GLU A 25 5.751 11.624 -9.068 1.00 0.00 O ATOM 326 CB GLU A 25 4.974 12.050 -11.705 1.00 0.00 C ATOM 327 CG GLU A 25 4.036 13.143 -11.222 1.00 0.00 C ATOM 328 CD GLU A 25 4.598 14.534 -11.443 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.007 14.834 -12.585 1.00 0.00 O ATOM 330 OE2 GLU A 25 4.630 15.322 -10.475 1.00 0.00 O ATOM 0 H GLU A 25 2.691 10.949 -11.439 1.00 0.00 H new ATOM 0 HA GLU A 25 5.447 9.971 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.003 12.359 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.863 11.938 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.082 13.054 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.835 13.001 -10.160 1.00 0.00 H new ATOM 337 N ASP A 26 4.215 10.008 -8.768 1.00 0.00 N ATOM 338 CA ASP A 26 4.323 10.022 -7.314 1.00 0.00 C ATOM 339 C ASP A 26 4.666 8.635 -6.781 1.00 0.00 C ATOM 340 O ASP A 26 4.431 7.626 -7.446 1.00 0.00 O ATOM 341 CB ASP A 26 3.016 10.514 -6.690 1.00 0.00 C ATOM 342 CG ASP A 26 2.710 11.955 -7.047 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.659 12.763 -7.123 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.520 12.275 -7.252 1.00 0.00 O ATOM 0 H ASP A 26 3.542 9.335 -9.134 1.00 0.00 H new ATOM 0 HA ASP A 26 5.127 10.705 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.196 9.878 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.075 10.416 -5.606 1.00 0.00 H new ATOM 349 N VAL A 27 5.225 8.592 -5.575 1.00 0.00 N ATOM 350 CA VAL A 27 5.600 7.328 -4.952 1.00 0.00 C ATOM 351 C VAL A 27 4.368 6.538 -4.525 1.00 0.00 C ATOM 352 O VAL A 27 3.517 7.044 -3.794 1.00 0.00 O ATOM 353 CB VAL A 27 6.502 7.555 -3.724 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.918 6.225 -3.114 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.722 8.380 -4.105 1.00 0.00 C ATOM 0 H VAL A 27 5.428 9.417 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 27 6.152 6.758 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 27 5.935 8.109 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.555 6.405 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.030 5.674 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.467 5.642 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.348 8.531 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.292 7.854 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.401 9.347 -4.492 1.00 0.00 H new ATOM 365 N TRP A 28 4.280 5.296 -4.985 1.00 0.00 N ATOM 366 CA TRP A 28 3.152 4.435 -4.650 1.00 0.00 C ATOM 367 C TRP A 28 3.614 3.213 -3.865 1.00 0.00 C ATOM 368 O TRP A 28 4.388 2.398 -4.366 1.00 0.00 O ATOM 369 CB TRP A 28 2.425 3.994 -5.922 1.00 0.00 C ATOM 370 CG TRP A 28 1.444 5.008 -6.427 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.707 6.062 -7.255 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.043 5.066 -6.135 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.555 6.771 -7.496 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.480 6.179 -6.821 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.820 4.283 -5.363 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.826 6.528 -6.755 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.155 4.631 -5.298 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.649 5.745 -5.991 1.00 0.00 C ATOM 0 H TRP A 28 4.976 4.862 -5.591 1.00 0.00 H new ATOM 0 HA TRP A 28 2.464 5.006 -4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.160 3.791 -6.701 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.901 3.058 -5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.678 6.303 -7.661 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.482 7.603 -8.082 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.450 3.422 -4.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.208 7.386 -7.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.830 4.034 -4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.698 5.990 -5.921 1.00 0.00 H new ATOM 389 N MET A 29 3.134 3.091 -2.631 1.00 0.00 N ATOM 390 CA MET A 29 3.498 1.966 -1.777 1.00 0.00 C ATOM 391 C MET A 29 2.516 0.812 -1.952 1.00 0.00 C ATOM 392 O MET A 29 1.342 0.923 -1.598 1.00 0.00 O ATOM 393 CB MET A 29 3.535 2.402 -0.312 1.00 0.00 C ATOM 394 CG MET A 29 4.914 2.836 0.158 1.00 0.00 C ATOM 395 SD MET A 29 5.906 1.459 0.767 1.00 0.00 S ATOM 396 CE MET A 29 6.475 2.117 2.332 1.00 0.00 C ATOM 0 H MET A 29 2.492 3.757 -2.201 1.00 0.00 H new ATOM 0 HA MET A 29 4.490 1.624 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.835 3.226 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.190 1.578 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.439 3.320 -0.666 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.807 3.579 0.948 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.074 1.366 2.846 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.081 3.005 2.154 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.616 2.381 2.949 1.00 0.00 H new ATOM 406 N VAL A 30 3.004 -0.297 -2.499 1.00 0.00 N ATOM 407 CA VAL A 30 2.170 -1.472 -2.720 1.00 0.00 C ATOM 408 C VAL A 30 2.426 -2.535 -1.657 1.00 0.00 C ATOM 409 O VAL A 30 3.499 -3.136 -1.613 1.00 0.00 O ATOM 410 CB VAL A 30 2.418 -2.083 -4.112 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.535 -3.303 -4.324 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.179 -1.046 -5.198 1.00 0.00 C ATOM 0 H VAL A 30 3.973 -0.406 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 30 1.133 -1.141 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 30 3.458 -2.403 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.724 -3.721 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.760 -4.051 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.487 -3.012 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.359 -1.494 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.149 -0.694 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.858 -0.205 -5.054 1.00 0.00 H new ATOM 422 N GLU A 31 1.433 -2.762 -0.803 1.00 0.00 N ATOM 423 CA GLU A 31 1.552 -3.753 0.260 1.00 0.00 C ATOM 424 C GLU A 31 0.686 -4.975 -0.036 1.00 0.00 C ATOM 425 O GLU A 31 -0.497 -5.007 0.302 1.00 0.00 O ATOM 426 CB GLU A 31 1.150 -3.143 1.604 1.00 0.00 C ATOM 427 CG GLU A 31 1.083 -4.154 2.736 1.00 0.00 C ATOM 428 CD GLU A 31 -0.294 -4.772 2.885 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.274 -4.162 2.408 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.391 -5.866 3.479 1.00 0.00 O ATOM 0 H GLU A 31 0.538 -2.274 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 31 2.593 -4.071 0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.864 -2.362 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.177 -2.663 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.814 -4.943 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.362 -3.667 3.670 1.00 0.00 H new ATOM 437 N PHE A 32 1.285 -5.978 -0.669 1.00 0.00 N ATOM 438 CA PHE A 32 0.570 -7.201 -1.012 1.00 0.00 C ATOM 439 C PHE A 32 0.090 -7.921 0.245 1.00 0.00 C ATOM 440 O PHE A 32 0.894 -8.355 1.071 1.00 0.00 O ATOM 441 CB PHE A 32 1.467 -8.129 -1.833 1.00 0.00 C ATOM 442 CG PHE A 32 2.024 -7.484 -3.070 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.201 -6.755 -3.017 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.370 -7.606 -4.285 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.715 -6.159 -4.154 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.880 -7.013 -5.425 1.00 0.00 C ATOM 447 CZ PHE A 32 3.054 -6.290 -5.359 1.00 0.00 C ATOM 0 H PHE A 32 2.264 -5.968 -0.955 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.300 -6.928 -1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.292 -8.470 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.897 -9.013 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.723 -6.651 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.451 -8.171 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.632 -5.592 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.360 -7.115 -6.366 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.455 -5.827 -6.249 1.00 0.00 H new ATOM 457 N TYR A 33 -1.225 -8.044 0.384 1.00 0.00 N ATOM 458 CA TYR A 33 -1.813 -8.709 1.541 1.00 0.00 C ATOM 459 C TYR A 33 -2.738 -9.842 1.106 1.00 0.00 C ATOM 460 O TYR A 33 -3.134 -9.924 -0.056 1.00 0.00 O ATOM 461 CB TYR A 33 -2.587 -7.703 2.394 1.00 0.00 C ATOM 462 CG TYR A 33 -4.002 -7.465 1.917 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.016 -8.368 2.211 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.325 -6.338 1.171 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.310 -8.156 1.777 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.616 -6.117 0.733 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.605 -7.029 1.038 1.00 0.00 C ATOM 468 OH TYR A 33 -7.893 -6.813 0.603 1.00 0.00 O ATOM 0 H TYR A 33 -1.905 -7.692 -0.290 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.004 -9.133 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.615 -8.059 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.050 -6.754 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.788 -9.251 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.553 -5.622 0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.086 -8.868 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.850 -5.235 0.155 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.058 -7.341 -0.206 1.00 0.00 H new ATOM 478 N ALA A 34 -3.079 -10.713 2.050 1.00 0.00 N ATOM 479 CA ALA A 34 -3.960 -11.840 1.768 1.00 0.00 C ATOM 480 C ALA A 34 -5.181 -11.825 2.681 1.00 0.00 C ATOM 481 O ALA A 34 -5.081 -11.609 3.889 1.00 0.00 O ATOM 482 CB ALA A 34 -3.203 -13.151 1.917 1.00 0.00 C ATOM 0 H ALA A 34 -2.759 -10.660 3.017 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.308 -11.749 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.873 -13.984 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.367 -13.170 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.827 -13.240 2.936 1.00 0.00 H new ATOM 488 N PRO A 35 -6.363 -12.058 2.092 1.00 0.00 N ATOM 489 CA PRO A 35 -7.627 -12.077 2.835 1.00 0.00 C ATOM 490 C PRO A 35 -7.739 -13.284 3.760 1.00 0.00 C ATOM 491 O PRO A 35 -8.642 -13.358 4.592 1.00 0.00 O ATOM 492 CB PRO A 35 -8.686 -12.149 1.731 1.00 0.00 C ATOM 493 CG PRO A 35 -7.987 -12.782 0.577 1.00 0.00 C ATOM 494 CD PRO A 35 -6.558 -12.323 0.657 1.00 0.00 C ATOM 0 HA PRO A 35 -7.729 -11.210 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.546 -12.740 2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.058 -11.157 1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.051 -13.869 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.441 -12.481 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.870 -13.086 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.389 -11.429 0.057 1.00 0.00 H new ATOM 502 N TRP A 36 -6.815 -14.226 3.609 1.00 0.00 N ATOM 503 CA TRP A 36 -6.810 -15.430 4.433 1.00 0.00 C ATOM 504 C TRP A 36 -5.512 -15.541 5.225 1.00 0.00 C ATOM 505 O TRP A 36 -5.173 -16.612 5.731 1.00 0.00 O ATOM 506 CB TRP A 36 -6.996 -16.671 3.559 1.00 0.00 C ATOM 507 CG TRP A 36 -6.301 -16.575 2.234 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.889 -16.500 1.004 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.888 -16.545 2.008 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.926 -16.426 0.026 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.690 -16.450 0.617 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.770 -16.586 2.846 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.421 -16.398 0.047 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.511 -16.535 2.279 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.344 -16.441 0.891 1.00 0.00 C ATOM 0 H TRP A 36 -6.060 -14.180 2.924 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.639 -15.363 5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.622 -17.543 4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.061 -16.832 3.392 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.954 -16.499 0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.103 -16.363 -0.977 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.888 -16.656 3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.291 -16.326 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.640 -16.568 2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.346 -16.402 0.479 1.00 0.00 H new ATOM 526 N CYS A 37 -4.791 -14.431 5.331 1.00 0.00 N ATOM 527 CA CYS A 37 -3.529 -14.405 6.062 1.00 0.00 C ATOM 528 C CYS A 37 -3.636 -13.518 7.298 1.00 0.00 C ATOM 529 O CYS A 37 -3.804 -12.304 7.191 1.00 0.00 O ATOM 530 CB CYS A 37 -2.401 -13.907 5.158 1.00 0.00 C ATOM 531 SG CYS A 37 -0.743 -14.208 5.812 1.00 0.00 S ATOM 0 H CYS A 37 -5.059 -13.537 4.920 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.303 -15.422 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.489 -14.391 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.527 -12.837 4.995 1.00 0.00 H new ATOM 0 HG CYS A 37 0.142 -13.754 4.976 1.00 0.00 H new ATOM 537 N GLY A 38 -3.538 -14.133 8.473 1.00 0.00 N ATOM 538 CA GLY A 38 -3.627 -13.385 9.713 1.00 0.00 C ATOM 539 C GLY A 38 -2.766 -12.137 9.700 1.00 0.00 C ATOM 540 O GLY A 38 -3.256 -11.033 9.938 1.00 0.00 O ATOM 0 H GLY A 38 -3.398 -15.137 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.665 -13.105 9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.323 -14.024 10.542 1.00 0.00 H new ATOM 544 N HIS A 39 -1.477 -12.313 9.423 1.00 0.00 N ATOM 545 CA HIS A 39 -0.545 -11.192 9.382 1.00 0.00 C ATOM 546 C HIS A 39 -1.227 -9.937 8.844 1.00 0.00 C ATOM 547 O HIS A 39 -1.194 -8.881 9.477 1.00 0.00 O ATOM 548 CB HIS A 39 0.666 -11.540 8.515 1.00 0.00 C ATOM 549 CG HIS A 39 1.553 -12.584 9.119 1.00 0.00 C ATOM 550 ND1 HIS A 39 2.819 -12.861 8.645 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.353 -13.420 10.164 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.358 -13.823 9.373 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.489 -14.180 10.301 1.00 0.00 N ATOM 0 H HIS A 39 -1.055 -13.220 9.224 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.209 -10.993 10.400 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.318 -11.888 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.249 -10.636 8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.465 -13.479 10.776 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.342 -14.245 9.233 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.637 -14.903 11.005 1.00 0.00 H new ATOM 562 N CYS A 40 -1.843 -10.061 7.673 1.00 0.00 N ATOM 563 CA CYS A 40 -2.531 -8.936 7.049 1.00 0.00 C ATOM 564 C CYS A 40 -3.559 -8.332 8.001 1.00 0.00 C ATOM 565 O CYS A 40 -3.514 -7.140 8.305 1.00 0.00 O ATOM 566 CB CYS A 40 -3.216 -9.384 5.757 1.00 0.00 C ATOM 567 SG CYS A 40 -4.660 -8.394 5.305 1.00 0.00 S ATOM 0 H CYS A 40 -1.880 -10.928 7.137 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.789 -8.173 6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.493 -9.345 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.521 -10.425 5.862 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.665 -8.195 4.020 1.00 0.00 H new ATOM 573 N LYS A 41 -4.486 -9.162 8.467 1.00 0.00 N ATOM 574 CA LYS A 41 -5.526 -8.711 9.384 1.00 0.00 C ATOM 575 C LYS A 41 -4.946 -7.795 10.456 1.00 0.00 C ATOM 576 O LYS A 41 -5.533 -6.767 10.792 1.00 0.00 O ATOM 577 CB LYS A 41 -6.211 -9.912 10.040 1.00 0.00 C ATOM 578 CG LYS A 41 -7.358 -10.480 9.223 1.00 0.00 C ATOM 579 CD LYS A 41 -7.627 -11.934 9.573 1.00 0.00 C ATOM 580 CE LYS A 41 -6.814 -12.877 8.699 1.00 0.00 C ATOM 581 NZ LYS A 41 -7.533 -13.227 7.443 1.00 0.00 N ATOM 0 H LYS A 41 -4.538 -10.151 8.224 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.263 -8.148 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.471 -10.695 10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.586 -9.615 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.258 -9.890 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.125 -10.398 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.385 -12.108 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.689 -12.148 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.859 -12.412 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.591 -13.787 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.946 -13.871 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.433 -13.694 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.723 -12.361 6.899 1.00 0.00 H new ATOM 595 N ASN A 42 -3.789 -8.173 10.990 1.00 0.00 N ATOM 596 CA ASN A 42 -3.129 -7.384 12.023 1.00 0.00 C ATOM 597 C ASN A 42 -2.479 -6.139 11.426 1.00 0.00 C ATOM 598 O ASN A 42 -2.288 -5.135 12.113 1.00 0.00 O ATOM 599 CB ASN A 42 -2.075 -8.227 12.743 1.00 0.00 C ATOM 600 CG ASN A 42 -2.683 -9.149 13.783 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.901 -9.319 13.841 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.835 -9.747 14.611 1.00 0.00 N ATOM 0 H ASN A 42 -3.289 -9.021 10.724 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.885 -7.068 12.742 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.527 -8.821 12.011 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.353 -7.567 13.224 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.185 -10.377 15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.833 -9.576 14.526 1.00 0.00 H new ATOM 609 N LEU A 43 -2.143 -6.212 10.143 1.00 0.00 N ATOM 610 CA LEU A 43 -1.515 -5.091 9.452 1.00 0.00 C ATOM 611 C LEU A 43 -2.566 -4.130 8.907 1.00 0.00 C ATOM 612 O LEU A 43 -2.262 -2.983 8.581 1.00 0.00 O ATOM 613 CB LEU A 43 -0.633 -5.600 8.311 1.00 0.00 C ATOM 614 CG LEU A 43 -0.117 -4.540 7.337 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.909 -3.646 8.016 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.480 -5.196 6.101 1.00 0.00 C ATOM 0 H LEU A 43 -2.295 -7.035 9.560 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.896 -4.554 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.225 -6.115 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.198 -6.341 7.745 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.958 -3.921 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.265 -2.898 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.449 -3.148 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.749 -4.251 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.842 -4.426 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.309 -5.839 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.283 -5.793 5.602 1.00 0.00 H new ATOM 628 N GLU A 44 -3.804 -4.605 8.814 1.00 0.00 N ATOM 629 CA GLU A 44 -4.900 -3.786 8.310 1.00 0.00 C ATOM 630 C GLU A 44 -4.827 -2.371 8.876 1.00 0.00 C ATOM 631 O GLU A 44 -4.745 -1.386 8.143 1.00 0.00 O ATOM 632 CB GLU A 44 -6.246 -4.421 8.666 1.00 0.00 C ATOM 633 CG GLU A 44 -7.357 -3.408 8.889 1.00 0.00 C ATOM 634 CD GLU A 44 -8.738 -4.018 8.753 1.00 0.00 C ATOM 635 OE1 GLU A 44 -9.200 -4.663 9.718 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.358 -3.851 7.682 1.00 0.00 O ATOM 0 H GLU A 44 -4.073 -5.552 9.081 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.809 -3.730 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.540 -5.100 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.128 -5.022 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.252 -2.973 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.251 -2.594 8.172 1.00 0.00 H new ATOM 643 N PRO A 45 -4.859 -2.267 10.213 1.00 0.00 N ATOM 644 CA PRO A 45 -4.797 -0.978 10.908 1.00 0.00 C ATOM 645 C PRO A 45 -3.426 -0.321 10.792 1.00 0.00 C ATOM 646 O PRO A 45 -3.323 0.889 10.596 1.00 0.00 O ATOM 647 CB PRO A 45 -5.092 -1.346 12.365 1.00 0.00 C ATOM 648 CG PRO A 45 -4.677 -2.772 12.486 1.00 0.00 C ATOM 649 CD PRO A 45 -4.957 -3.400 11.149 1.00 0.00 C ATOM 0 HA PRO A 45 -5.495 -0.254 10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.535 -0.712 13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.149 -1.220 12.599 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.620 -2.850 12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.233 -3.274 13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.234 -4.181 10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.944 -3.861 11.120 1.00 0.00 H new ATOM 657 N GLU A 46 -2.376 -1.128 10.913 1.00 0.00 N ATOM 658 CA GLU A 46 -1.011 -0.623 10.821 1.00 0.00 C ATOM 659 C GLU A 46 -0.773 0.060 9.478 1.00 0.00 C ATOM 660 O GLU A 46 0.009 1.005 9.381 1.00 0.00 O ATOM 661 CB GLU A 46 -0.009 -1.763 11.011 1.00 0.00 C ATOM 662 CG GLU A 46 -0.123 -2.456 12.359 1.00 0.00 C ATOM 663 CD GLU A 46 -0.453 -1.494 13.483 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.230 -0.454 13.593 1.00 0.00 O ATOM 665 OE2 GLU A 46 -1.393 -1.780 14.254 1.00 0.00 O ATOM 0 H GLU A 46 -2.445 -2.133 11.075 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.868 0.112 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.155 -2.499 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.001 -1.370 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.895 -3.224 12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.816 -2.963 12.583 1.00 0.00 H new ATOM 672 N TRP A 47 -1.452 -0.426 8.445 1.00 0.00 N ATOM 673 CA TRP A 47 -1.314 0.136 7.107 1.00 0.00 C ATOM 674 C TRP A 47 -2.293 1.286 6.896 1.00 0.00 C ATOM 675 O TRP A 47 -1.966 2.282 6.252 1.00 0.00 O ATOM 676 CB TRP A 47 -1.544 -0.946 6.050 1.00 0.00 C ATOM 677 CG TRP A 47 -1.106 -0.537 4.676 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.909 -0.155 3.640 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.239 -0.470 4.190 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.144 0.144 2.538 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.177 -0.040 2.850 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.490 -0.730 4.756 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.317 0.134 2.070 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.621 -0.558 3.981 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.529 -0.129 2.650 1.00 0.00 C ATOM 0 H TRP A 47 -2.104 -1.208 8.509 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.300 0.523 7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.007 -1.848 6.341 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.604 -1.200 6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.987 -0.096 3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.502 0.453 1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.571 -1.060 5.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.248 0.465 1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.593 -0.758 4.408 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.432 -0.003 2.071 1.00 0.00 H new ATOM 696 N ALA A 48 -3.496 1.141 7.443 1.00 0.00 N ATOM 697 CA ALA A 48 -4.522 2.169 7.316 1.00 0.00 C ATOM 698 C ALA A 48 -4.049 3.492 7.908 1.00 0.00 C ATOM 699 O ALA A 48 -4.240 4.552 7.314 1.00 0.00 O ATOM 700 CB ALA A 48 -5.809 1.716 7.990 1.00 0.00 C ATOM 0 H ALA A 48 -3.784 0.322 7.978 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.716 2.325 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.566 2.493 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.163 0.799 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.620 1.531 9.047 1.00 0.00 H new ATOM 706 N ALA A 49 -3.432 3.422 9.083 1.00 0.00 N ATOM 707 CA ALA A 49 -2.931 4.615 9.755 1.00 0.00 C ATOM 708 C ALA A 49 -1.755 5.219 8.997 1.00 0.00 C ATOM 709 O ALA A 49 -1.709 6.426 8.763 1.00 0.00 O ATOM 710 CB ALA A 49 -2.526 4.284 11.184 1.00 0.00 C ATOM 0 H ALA A 49 -3.267 2.552 9.589 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.733 5.353 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.154 5.184 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.391 3.905 11.729 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.743 3.526 11.174 1.00 0.00 H new ATOM 716 N ALA A 50 -0.804 4.372 8.615 1.00 0.00 N ATOM 717 CA ALA A 50 0.372 4.823 7.882 1.00 0.00 C ATOM 718 C ALA A 50 -0.025 5.629 6.650 1.00 0.00 C ATOM 719 O ALA A 50 0.586 6.652 6.343 1.00 0.00 O ATOM 720 CB ALA A 50 1.232 3.633 7.481 1.00 0.00 C ATOM 0 H ALA A 50 -0.826 3.369 8.801 1.00 0.00 H new ATOM 0 HA ALA A 50 0.952 5.472 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.107 3.984 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.553 3.099 8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.652 2.963 6.846 1.00 0.00 H new ATOM 726 N ALA A 51 -1.052 5.161 5.947 1.00 0.00 N ATOM 727 CA ALA A 51 -1.531 5.840 4.750 1.00 0.00 C ATOM 728 C ALA A 51 -1.926 7.281 5.056 1.00 0.00 C ATOM 729 O ALA A 51 -1.600 8.197 4.302 1.00 0.00 O ATOM 730 CB ALA A 51 -2.708 5.085 4.150 1.00 0.00 C ATOM 0 H ALA A 51 -1.568 4.314 6.186 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.718 5.860 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.056 5.604 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.395 4.075 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.517 5.035 4.878 1.00 0.00 H new ATOM 736 N SER A 52 -2.629 7.474 6.168 1.00 0.00 N ATOM 737 CA SER A 52 -3.072 8.803 6.571 1.00 0.00 C ATOM 738 C SER A 52 -1.912 9.610 7.147 1.00 0.00 C ATOM 739 O SER A 52 -1.886 10.836 7.047 1.00 0.00 O ATOM 740 CB SER A 52 -4.197 8.698 7.602 1.00 0.00 C ATOM 741 OG SER A 52 -5.465 8.654 6.971 1.00 0.00 O ATOM 0 H SER A 52 -2.904 6.727 6.805 1.00 0.00 H new ATOM 0 HA SER A 52 -3.447 9.318 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.057 7.802 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.154 9.551 8.280 1.00 0.00 H new ATOM 0 HG SER A 52 -6.167 8.585 7.652 1.00 0.00 H new ATOM 747 N GLU A 53 -0.956 8.912 7.752 1.00 0.00 N ATOM 748 CA GLU A 53 0.206 9.563 8.345 1.00 0.00 C ATOM 749 C GLU A 53 1.252 9.883 7.282 1.00 0.00 C ATOM 750 O GLU A 53 2.084 10.774 7.461 1.00 0.00 O ATOM 751 CB GLU A 53 0.819 8.674 9.428 1.00 0.00 C ATOM 752 CG GLU A 53 2.108 9.227 10.013 1.00 0.00 C ATOM 753 CD GLU A 53 1.865 10.365 10.986 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.014 10.203 11.886 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.525 11.416 10.848 1.00 0.00 O ATOM 0 H GLU A 53 -0.963 7.896 7.844 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.125 10.498 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.094 8.541 10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.014 7.687 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.644 8.426 10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.750 9.576 9.204 1.00 0.00 H new ATOM 762 N VAL A 54 1.205 9.150 6.174 1.00 0.00 N ATOM 763 CA VAL A 54 2.148 9.356 5.081 1.00 0.00 C ATOM 764 C VAL A 54 1.662 10.446 4.133 1.00 0.00 C ATOM 765 O VAL A 54 2.444 11.276 3.669 1.00 0.00 O ATOM 766 CB VAL A 54 2.372 8.058 4.281 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.193 8.335 3.031 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.046 7.007 5.150 1.00 0.00 C ATOM 0 H VAL A 54 0.524 8.408 6.010 1.00 0.00 H new ATOM 0 HA VAL A 54 3.091 9.665 5.531 1.00 0.00 H new ATOM 0 HB VAL A 54 1.401 7.672 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.341 7.406 2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.666 9.051 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.162 8.746 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.197 6.097 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.010 7.382 5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.415 6.788 6.011 1.00 0.00 H new ATOM 778 N LYS A 55 0.364 10.440 3.849 1.00 0.00 N ATOM 779 CA LYS A 55 -0.230 11.429 2.957 1.00 0.00 C ATOM 780 C LYS A 55 -0.319 12.791 3.638 1.00 0.00 C ATOM 781 O LYS A 55 -0.443 13.820 2.974 1.00 0.00 O ATOM 782 CB LYS A 55 -1.623 10.976 2.515 1.00 0.00 C ATOM 783 CG LYS A 55 -2.733 11.419 3.453 1.00 0.00 C ATOM 784 CD LYS A 55 -4.105 11.120 2.873 1.00 0.00 C ATOM 785 CE LYS A 55 -5.215 11.517 3.835 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.551 11.502 3.177 1.00 0.00 N ATOM 0 H LYS A 55 -0.298 9.760 4.224 1.00 0.00 H new ATOM 0 HA LYS A 55 0.410 11.522 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.824 11.367 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.635 9.889 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.624 10.912 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.643 12.488 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.228 11.656 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.182 10.057 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.221 10.834 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.015 12.514 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.295 11.491 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.656 12.351 2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.635 10.653 2.582 1.00 0.00 H new ATOM 800 N GLU A 56 -0.252 12.789 4.966 1.00 0.00 N ATOM 801 CA GLU A 56 -0.325 14.026 5.735 1.00 0.00 C ATOM 802 C GLU A 56 1.059 14.651 5.892 1.00 0.00 C ATOM 803 O GLU A 56 1.190 15.869 6.012 1.00 0.00 O ATOM 804 CB GLU A 56 -0.935 13.761 7.113 1.00 0.00 C ATOM 805 CG GLU A 56 0.055 13.199 8.120 1.00 0.00 C ATOM 806 CD GLU A 56 -0.563 12.985 9.488 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.407 12.075 9.621 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.202 13.728 10.425 1.00 0.00 O ATOM 0 H GLU A 56 -0.147 11.946 5.531 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.962 14.724 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.348 14.691 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.766 13.064 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.446 12.251 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.902 13.880 8.210 1.00 0.00 H new ATOM 815 N GLN A 57 2.086 13.808 5.890 1.00 0.00 N ATOM 816 CA GLN A 57 3.459 14.278 6.033 1.00 0.00 C ATOM 817 C GLN A 57 4.089 14.543 4.670 1.00 0.00 C ATOM 818 O GLN A 57 4.732 15.572 4.460 1.00 0.00 O ATOM 819 CB GLN A 57 4.294 13.252 6.802 1.00 0.00 C ATOM 820 CG GLN A 57 3.961 13.186 8.284 1.00 0.00 C ATOM 821 CD GLN A 57 4.882 12.254 9.048 1.00 0.00 C ATOM 822 OE1 GLN A 57 4.831 10.969 8.717 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.631 12.684 9.925 1.00 0.00 N flip ATOM 0 H GLN A 57 1.994 12.797 5.791 1.00 0.00 H new ATOM 0 HA GLN A 57 3.439 15.214 6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.143 12.267 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.350 13.495 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.026 14.186 8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.930 12.853 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.638 13.680 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.245 12.045 10.430 1.00 0.00 H new ATOM 832 N THR A 58 3.899 13.608 3.744 1.00 0.00 N ATOM 833 CA THR A 58 4.449 13.740 2.400 1.00 0.00 C ATOM 834 C THR A 58 3.620 14.704 1.559 1.00 0.00 C ATOM 835 O THR A 58 3.835 14.835 0.354 1.00 0.00 O ATOM 836 CB THR A 58 4.516 12.378 1.685 1.00 0.00 C ATOM 837 OG1 THR A 58 3.197 11.940 1.340 1.00 0.00 O ATOM 838 CG2 THR A 58 5.188 11.336 2.566 1.00 0.00 C ATOM 0 H THR A 58 3.368 12.751 3.900 1.00 0.00 H new ATOM 0 HA THR A 58 5.459 14.135 2.509 1.00 0.00 H new ATOM 0 HB THR A 58 5.107 12.498 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.633 11.937 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.224 10.382 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.202 11.658 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.620 11.220 3.489 1.00 0.00 H new ATOM 846 N LYS A 59 2.671 15.377 2.201 1.00 0.00 N ATOM 847 CA LYS A 59 1.810 16.331 1.512 1.00 0.00 C ATOM 848 C LYS A 59 1.003 15.642 0.416 1.00 0.00 C ATOM 849 O LYS A 59 0.591 16.275 -0.555 1.00 0.00 O ATOM 850 CB LYS A 59 2.646 17.462 0.910 1.00 0.00 C ATOM 851 CG LYS A 59 3.496 18.200 1.930 1.00 0.00 C ATOM 852 CD LYS A 59 2.644 19.066 2.843 1.00 0.00 C ATOM 853 CE LYS A 59 2.383 20.433 2.229 1.00 0.00 C ATOM 854 NZ LYS A 59 1.874 21.405 3.236 1.00 0.00 N ATOM 0 H LYS A 59 2.479 15.279 3.198 1.00 0.00 H new ATOM 0 HA LYS A 59 1.116 16.749 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.296 17.051 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.981 18.174 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.056 17.480 2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.227 18.823 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.695 18.567 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.145 19.187 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.304 20.815 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.659 20.336 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.708 22.324 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.982 21.053 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.576 21.518 3.995 1.00 0.00 H new ATOM 868 N GLY A 60 0.778 14.342 0.581 1.00 0.00 N ATOM 869 CA GLY A 60 0.020 13.590 -0.402 1.00 0.00 C ATOM 870 C GLY A 60 0.901 12.990 -1.479 1.00 0.00 C ATOM 871 O GLY A 60 0.439 12.195 -2.299 1.00 0.00 O ATOM 0 H GLY A 60 1.107 13.796 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.529 12.793 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.719 14.244 -0.864 1.00 0.00 H new ATOM 875 N LYS A 61 2.174 13.371 -1.480 1.00 0.00 N ATOM 876 CA LYS A 61 3.123 12.866 -2.465 1.00 0.00 C ATOM 877 C LYS A 61 3.159 11.341 -2.454 1.00 0.00 C ATOM 878 O LYS A 61 2.705 10.692 -3.396 1.00 0.00 O ATOM 879 CB LYS A 61 4.521 13.422 -2.188 1.00 0.00 C ATOM 880 CG LYS A 61 5.629 12.663 -2.897 1.00 0.00 C ATOM 881 CD LYS A 61 5.353 12.534 -4.385 1.00 0.00 C ATOM 882 CE LYS A 61 5.827 13.761 -5.148 1.00 0.00 C ATOM 883 NZ LYS A 61 7.245 13.631 -5.584 1.00 0.00 N ATOM 0 H LYS A 61 2.572 14.028 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 61 2.796 13.197 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.554 14.467 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.706 13.399 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.578 13.177 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.730 11.671 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.853 11.647 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.284 12.394 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.192 13.914 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.721 14.644 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.592 14.553 -5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.826 13.310 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.308 12.938 -6.357 1.00 0.00 H new ATOM 897 N VAL A 62 3.702 10.774 -1.381 1.00 0.00 N ATOM 898 CA VAL A 62 3.795 9.326 -1.246 1.00 0.00 C ATOM 899 C VAL A 62 2.456 8.725 -0.832 1.00 0.00 C ATOM 900 O VAL A 62 2.038 8.847 0.319 1.00 0.00 O ATOM 901 CB VAL A 62 4.866 8.926 -0.214 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.104 7.424 -0.246 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.159 9.684 -0.468 1.00 0.00 C ATOM 0 H VAL A 62 4.084 11.296 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 62 4.079 8.935 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 62 4.505 9.191 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.864 7.160 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.176 6.903 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.444 7.130 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.905 9.389 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.527 9.452 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.974 10.755 -0.389 1.00 0.00 H new ATOM 913 N LYS A 63 1.787 8.075 -1.779 1.00 0.00 N ATOM 914 CA LYS A 63 0.496 7.453 -1.513 1.00 0.00 C ATOM 915 C LYS A 63 0.664 5.977 -1.167 1.00 0.00 C ATOM 916 O LYS A 63 1.562 5.307 -1.678 1.00 0.00 O ATOM 917 CB LYS A 63 -0.424 7.601 -2.728 1.00 0.00 C ATOM 918 CG LYS A 63 -0.737 9.044 -3.082 1.00 0.00 C ATOM 919 CD LYS A 63 -1.147 9.185 -4.538 1.00 0.00 C ATOM 920 CE LYS A 63 -2.090 10.362 -4.740 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.349 11.628 -4.997 1.00 0.00 N ATOM 0 H LYS A 63 2.118 7.966 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 63 0.046 7.959 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.042 7.118 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.357 7.073 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.538 9.411 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.137 9.665 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.259 9.319 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.632 8.267 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.756 10.154 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.717 10.481 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.026 12.406 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.732 11.840 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.770 11.523 -5.855 1.00 0.00 H new ATOM 935 N LEU A 64 -0.206 5.476 -0.296 1.00 0.00 N ATOM 936 CA LEU A 64 -0.154 4.078 0.118 1.00 0.00 C ATOM 937 C LEU A 64 -1.376 3.316 -0.386 1.00 0.00 C ATOM 938 O LEU A 64 -2.513 3.722 -0.151 1.00 0.00 O ATOM 939 CB LEU A 64 -0.070 3.980 1.642 1.00 0.00 C ATOM 940 CG LEU A 64 1.338 3.963 2.237 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.987 5.332 2.111 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.296 3.522 3.693 1.00 0.00 C ATOM 0 H LEU A 64 -0.955 6.017 0.137 1.00 0.00 H new ATOM 0 HA LEU A 64 0.738 3.628 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.614 4.822 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.587 3.073 1.957 1.00 0.00 H new ATOM 0 HG LEU A 64 1.940 3.246 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.989 5.301 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.051 5.609 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.387 6.070 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.307 3.516 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.678 4.214 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.873 2.520 3.758 1.00 0.00 H new ATOM 954 N ALA A 65 -1.131 2.208 -1.078 1.00 0.00 N ATOM 955 CA ALA A 65 -2.211 1.386 -1.610 1.00 0.00 C ATOM 956 C ALA A 65 -2.049 -0.072 -1.194 1.00 0.00 C ATOM 957 O ALA A 65 -1.027 -0.454 -0.624 1.00 0.00 O ATOM 958 CB ALA A 65 -2.263 1.502 -3.127 1.00 0.00 C ATOM 0 H ALA A 65 -0.195 1.859 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.151 1.751 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.074 0.883 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.435 2.541 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.317 1.165 -3.550 1.00 0.00 H new ATOM 964 N ALA A 66 -3.062 -0.881 -1.482 1.00 0.00 N ATOM 965 CA ALA A 66 -3.031 -2.297 -1.139 1.00 0.00 C ATOM 966 C ALA A 66 -3.527 -3.155 -2.298 1.00 0.00 C ATOM 967 O ALA A 66 -4.461 -2.778 -3.006 1.00 0.00 O ATOM 968 CB ALA A 66 -3.865 -2.557 0.107 1.00 0.00 C ATOM 0 H ALA A 66 -3.915 -0.580 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.996 -2.572 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.833 -3.619 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.464 -1.980 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.897 -2.258 -0.077 1.00 0.00 H new ATOM 974 N VAL A 67 -2.897 -4.309 -2.487 1.00 0.00 N ATOM 975 CA VAL A 67 -3.275 -5.220 -3.560 1.00 0.00 C ATOM 976 C VAL A 67 -3.470 -6.638 -3.034 1.00 0.00 C ATOM 977 O VAL A 67 -2.859 -7.032 -2.041 1.00 0.00 O ATOM 978 CB VAL A 67 -2.216 -5.240 -4.679 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.621 -6.209 -5.780 1.00 0.00 C ATOM 980 CG2 VAL A 67 -2.006 -3.841 -5.238 1.00 0.00 C ATOM 0 H VAL A 67 -2.122 -4.636 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.217 -4.854 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.272 -5.583 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.861 -6.210 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.716 -7.212 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.577 -5.900 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.255 -3.873 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.945 -3.467 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.667 -3.178 -4.442 1.00 0.00 H new ATOM 990 N ASP A 68 -4.324 -7.401 -3.708 1.00 0.00 N ATOM 991 CA ASP A 68 -4.598 -8.776 -3.310 1.00 0.00 C ATOM 992 C ASP A 68 -3.792 -9.758 -4.155 1.00 0.00 C ATOM 993 O ASP A 68 -4.057 -9.931 -5.345 1.00 0.00 O ATOM 994 CB ASP A 68 -6.092 -9.079 -3.441 1.00 0.00 C ATOM 995 CG ASP A 68 -6.946 -8.150 -2.601 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.779 -6.918 -2.722 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.783 -8.654 -1.824 1.00 0.00 O ATOM 0 H ASP A 68 -4.838 -7.090 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.301 -8.892 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.387 -8.993 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.278 -10.110 -3.141 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.807 -10.397 -3.533 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.963 -11.361 -4.227 1.00 0.00 C ATOM 1004 C ALA A 69 -2.752 -12.611 -4.602 1.00 0.00 C ATOM 1005 O ALA A 69 -2.224 -13.524 -5.238 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.764 -11.730 -3.366 1.00 0.00 C ATOM 0 H ALA A 69 -2.574 -10.264 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.606 -10.898 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.143 -12.451 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.180 -10.835 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.109 -12.169 -2.430 1.00 0.00 H new ATOM 1012 N THR A 70 -4.020 -12.647 -4.203 1.00 0.00 N ATOM 1013 CA THR A 70 -4.881 -13.786 -4.495 1.00 0.00 C ATOM 1014 C THR A 70 -5.594 -13.608 -5.831 1.00 0.00 C ATOM 1015 O THR A 70 -5.970 -14.584 -6.480 1.00 0.00 O ATOM 1016 CB THR A 70 -5.932 -13.994 -3.389 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.802 -12.859 -3.320 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.263 -14.210 -2.040 1.00 0.00 C ATOM 0 H THR A 70 -4.473 -11.900 -3.677 1.00 0.00 H new ATOM 0 HA THR A 70 -4.237 -14.664 -4.544 1.00 0.00 H new ATOM 0 HB THR A 70 -6.514 -14.882 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.468 -13.000 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.026 -14.355 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.625 -15.092 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.659 -13.338 -1.790 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.776 -12.356 -6.237 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.442 -12.050 -7.497 1.00 0.00 C ATOM 1028 C VAL A 71 -5.471 -11.429 -8.496 1.00 0.00 C ATOM 1029 O VAL A 71 -5.664 -11.527 -9.707 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.628 -11.089 -7.287 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -7.140 -9.743 -6.774 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.415 -10.924 -8.578 1.00 0.00 C ATOM 0 H VAL A 71 -5.471 -11.537 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.814 -12.994 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 71 -8.292 -11.518 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.991 -9.077 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.624 -9.881 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.454 -9.304 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.249 -10.242 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.764 -10.518 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.797 -11.893 -8.897 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.426 -10.791 -7.979 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.424 -10.154 -8.825 1.00 0.00 C ATOM 1044 C ASN A 72 -2.249 -11.094 -9.078 1.00 0.00 C ATOM 1045 O ASN A 72 -1.484 -11.406 -8.166 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.926 -8.860 -8.177 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.785 -7.664 -8.541 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.372 -6.802 -9.316 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.987 -7.607 -7.980 1.00 0.00 N ATOM 0 H ASN A 72 -4.251 -10.702 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.890 -9.917 -9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.915 -8.980 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.898 -8.674 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.609 -6.826 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.288 -8.345 -7.343 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.112 -11.540 -10.323 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.031 -12.444 -10.696 1.00 0.00 C ATOM 1058 C GLN A 73 -0.026 -11.745 -11.606 1.00 0.00 C ATOM 1059 O GLN A 73 1.180 -11.972 -11.507 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.592 -13.684 -11.393 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.576 -14.468 -10.541 1.00 0.00 C ATOM 1062 CD GLN A 73 -1.892 -15.468 -9.629 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.257 -16.415 -10.094 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.018 -15.263 -8.324 1.00 0.00 N ATOM 0 H GLN A 73 -2.736 -11.290 -11.090 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.517 -12.750 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.086 -13.380 -12.316 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.766 -14.338 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.162 -13.774 -9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.275 -14.994 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.554 -14.465 -7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.579 -15.903 -7.662 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.532 -10.893 -12.492 1.00 0.00 N ATOM 1074 CA VAL A 74 0.321 -10.159 -13.420 1.00 0.00 C ATOM 1075 C VAL A 74 1.462 -9.464 -12.685 1.00 0.00 C ATOM 1076 O VAL A 74 2.607 -9.479 -13.138 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.482 -9.109 -14.210 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.409 -8.408 -15.224 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.676 -9.757 -14.895 1.00 0.00 C ATOM 0 H VAL A 74 -1.528 -10.694 -12.587 1.00 0.00 H new ATOM 0 HA VAL A 74 0.733 -10.889 -14.117 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.855 -8.360 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.175 -7.670 -15.773 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.228 -7.910 -14.706 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.814 -9.142 -15.921 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.232 -9.001 -15.449 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.327 -10.527 -15.583 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.325 -10.208 -14.145 1.00 0.00 H new ATOM 1089 N LEU A 75 1.142 -8.854 -11.549 1.00 0.00 N ATOM 1090 CA LEU A 75 2.140 -8.152 -10.750 1.00 0.00 C ATOM 1091 C LEU A 75 2.883 -9.120 -9.835 1.00 0.00 C ATOM 1092 O LEU A 75 4.113 -9.131 -9.795 1.00 0.00 O ATOM 1093 CB LEU A 75 1.475 -7.054 -9.918 1.00 0.00 C ATOM 1094 CG LEU A 75 0.410 -6.222 -10.632 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.362 -5.373 -9.635 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.046 -5.347 -11.702 1.00 0.00 C ATOM 0 H LEU A 75 0.199 -8.831 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 75 2.861 -7.698 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.020 -7.516 -9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.251 -6.380 -9.556 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.291 -6.902 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.116 -4.788 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.850 -6.021 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.325 -4.701 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.273 -4.762 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.769 -4.675 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.552 -5.977 -12.434 1.00 0.00 H new ATOM 1108 N ALA A 76 2.128 -9.933 -9.103 1.00 0.00 N ATOM 1109 CA ALA A 76 2.716 -10.907 -8.192 1.00 0.00 C ATOM 1110 C ALA A 76 3.846 -11.677 -8.866 1.00 0.00 C ATOM 1111 O ALA A 76 4.901 -11.897 -8.271 1.00 0.00 O ATOM 1112 CB ALA A 76 1.649 -11.867 -7.686 1.00 0.00 C ATOM 0 H ALA A 76 1.108 -9.936 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 76 3.136 -10.367 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.102 -12.589 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.877 -11.307 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.203 -12.393 -8.530 1.00 0.00 H new ATOM 1118 N SER A 77 3.618 -12.085 -10.110 1.00 0.00 N ATOM 1119 CA SER A 77 4.617 -12.835 -10.864 1.00 0.00 C ATOM 1120 C SER A 77 5.724 -11.913 -11.366 1.00 0.00 C ATOM 1121 O SER A 77 6.908 -12.235 -11.265 1.00 0.00 O ATOM 1122 CB SER A 77 3.961 -13.554 -12.044 1.00 0.00 C ATOM 1123 OG SER A 77 4.747 -14.653 -12.472 1.00 0.00 O ATOM 0 H SER A 77 2.751 -11.909 -10.617 1.00 0.00 H new ATOM 0 HA SER A 77 5.060 -13.575 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.969 -13.902 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.826 -12.856 -12.870 1.00 0.00 H new ATOM 0 HG SER A 77 4.306 -15.097 -13.226 1.00 0.00 H new ATOM 1129 N ARG A 78 5.329 -10.766 -11.908 1.00 0.00 N ATOM 1130 CA ARG A 78 6.286 -9.797 -12.427 1.00 0.00 C ATOM 1131 C ARG A 78 7.475 -9.646 -11.482 1.00 0.00 C ATOM 1132 O ARG A 78 8.629 -9.702 -11.906 1.00 0.00 O ATOM 1133 CB ARG A 78 5.610 -8.440 -12.634 1.00 0.00 C ATOM 1134 CG ARG A 78 6.515 -7.400 -13.274 1.00 0.00 C ATOM 1135 CD ARG A 78 5.717 -6.219 -13.805 1.00 0.00 C ATOM 1136 NE ARG A 78 6.521 -5.361 -14.671 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.031 -4.319 -15.333 1.00 0.00 C ATOM 1138 NH1 ARG A 78 4.746 -4.007 -15.228 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.826 -3.585 -16.102 1.00 0.00 N ATOM 0 H ARG A 78 4.353 -10.485 -11.999 1.00 0.00 H new ATOM 0 HA ARG A 78 6.651 -10.164 -13.386 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.727 -8.575 -13.259 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.264 -8.065 -11.671 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.243 -7.049 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.077 -7.857 -14.089 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.853 -6.585 -14.359 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.335 -5.634 -12.968 1.00 0.00 H new ATOM 0 HE ARG A 78 7.513 -5.574 -14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.132 -4.568 -14.638 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.372 -3.206 -15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.815 -3.821 -16.185 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.448 -2.785 -16.610 1.00 0.00 H new ATOM 1153 N TYR A 79 7.184 -9.456 -10.200 1.00 0.00 N ATOM 1154 CA TYR A 79 8.228 -9.294 -9.195 1.00 0.00 C ATOM 1155 C TYR A 79 8.357 -10.549 -8.337 1.00 0.00 C ATOM 1156 O TYR A 79 9.394 -10.789 -7.720 1.00 0.00 O ATOM 1157 CB TYR A 79 7.929 -8.085 -8.308 1.00 0.00 C ATOM 1158 CG TYR A 79 7.518 -6.853 -9.082 1.00 0.00 C ATOM 1159 CD1 TYR A 79 6.218 -6.702 -9.549 1.00 0.00 C ATOM 1160 CD2 TYR A 79 8.430 -5.838 -9.346 1.00 0.00 C ATOM 1161 CE1 TYR A 79 5.839 -5.579 -10.258 1.00 0.00 C ATOM 1162 CE2 TYR A 79 8.059 -4.710 -10.052 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.763 -4.585 -10.506 1.00 0.00 C ATOM 1164 OH TYR A 79 6.388 -3.464 -11.211 1.00 0.00 O ATOM 0 H TYR A 79 6.234 -9.410 -9.832 1.00 0.00 H new ATOM 0 HA TYR A 79 9.173 -9.131 -9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.135 -8.346 -7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.813 -7.853 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.491 -7.477 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.446 -5.933 -8.993 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.825 -5.480 -10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.780 -3.930 -10.247 1.00 0.00 H new ATOM 0 HH TYR A 79 7.155 -2.861 -11.298 1.00 0.00 H new ATOM 1174 N GLY A 80 7.294 -11.347 -8.304 1.00 0.00 N ATOM 1175 CA GLY A 80 7.308 -12.568 -7.520 1.00 0.00 C ATOM 1176 C GLY A 80 6.919 -12.333 -6.074 1.00 0.00 C ATOM 1177 O GLY A 80 7.782 -12.195 -5.207 1.00 0.00 O ATOM 0 H GLY A 80 6.424 -11.170 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.623 -13.290 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.304 -13.009 -7.558 1.00 0.00 H new ATOM 1181 N ILE A 81 5.617 -12.286 -5.814 1.00 0.00 N ATOM 1182 CA ILE A 81 5.116 -12.065 -4.463 1.00 0.00 C ATOM 1183 C ILE A 81 4.396 -13.301 -3.935 1.00 0.00 C ATOM 1184 O ILE A 81 3.258 -13.579 -4.314 1.00 0.00 O ATOM 1185 CB ILE A 81 4.155 -10.863 -4.408 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.754 -9.669 -5.155 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.851 -10.493 -2.964 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.850 -8.964 -4.387 1.00 0.00 C ATOM 0 H ILE A 81 4.890 -12.398 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 81 5.983 -11.856 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 81 3.221 -11.141 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.153 -10.011 -6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.961 -8.955 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.171 -9.642 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.387 -11.341 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.777 -10.230 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.228 -8.129 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.451 -8.591 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.662 -9.663 -4.187 1.00 0.00 H new ATOM 1200 N ARG A 82 5.065 -14.039 -3.055 1.00 0.00 N ATOM 1201 CA ARG A 82 4.489 -15.245 -2.474 1.00 0.00 C ATOM 1202 C ARG A 82 4.524 -15.184 -0.949 1.00 0.00 C ATOM 1203 O ARG A 82 3.856 -15.964 -0.271 1.00 0.00 O ATOM 1204 CB ARG A 82 5.244 -16.483 -2.962 1.00 0.00 C ATOM 1205 CG ARG A 82 6.743 -16.418 -2.721 1.00 0.00 C ATOM 1206 CD ARG A 82 7.512 -17.187 -3.783 1.00 0.00 C ATOM 1207 NE ARG A 82 7.700 -18.588 -3.416 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.428 -19.442 -4.126 1.00 0.00 C ATOM 1209 NH1 ARG A 82 9.034 -19.040 -5.235 1.00 0.00 N ATOM 1210 NH2 ARG A 82 8.551 -20.702 -3.728 1.00 0.00 N ATOM 0 H ARG A 82 6.007 -13.822 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 82 3.449 -15.312 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.842 -17.364 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.062 -16.612 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.067 -15.377 -2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.972 -16.827 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.977 -17.129 -4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.484 -16.719 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 82 7.247 -18.929 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.942 -18.073 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.593 -19.698 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.086 -21.015 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.110 -21.357 -4.274 1.00 0.00 H new ATOM 1224 N GLY A 83 5.308 -14.252 -0.417 1.00 0.00 N ATOM 1225 CA GLY A 83 5.416 -14.106 1.023 1.00 0.00 C ATOM 1226 C GLY A 83 4.807 -12.811 1.522 1.00 0.00 C ATOM 1227 O GLY A 83 5.455 -11.765 1.506 1.00 0.00 O ATOM 0 H GLY A 83 5.871 -13.595 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.921 -14.947 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.467 -14.145 1.311 1.00 0.00 H new ATOM 1231 N PHE A 84 3.556 -12.880 1.967 1.00 0.00 N ATOM 1232 CA PHE A 84 2.858 -11.704 2.470 1.00 0.00 C ATOM 1233 C PHE A 84 2.897 -11.659 3.995 1.00 0.00 C ATOM 1234 O PHE A 84 3.031 -12.682 4.668 1.00 0.00 O ATOM 1235 CB PHE A 84 1.406 -11.699 1.986 1.00 0.00 C ATOM 1236 CG PHE A 84 1.207 -12.423 0.685 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.215 -12.459 -0.265 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.011 -13.067 0.412 1.00 0.00 C ATOM 1239 CE1 PHE A 84 2.033 -13.124 -1.463 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.177 -13.733 -0.785 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.837 -13.762 -1.723 1.00 0.00 C ATOM 0 H PHE A 84 3.006 -13.739 1.989 1.00 0.00 H new ATOM 0 HA PHE A 84 3.365 -10.820 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.775 -12.157 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.072 -10.668 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.153 -11.962 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.784 -13.049 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.826 -13.144 -2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.115 -14.230 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.694 -14.283 -2.658 1.00 0.00 H new ATOM 1251 N PRO A 85 2.778 -10.446 4.555 1.00 0.00 N ATOM 1252 CA PRO A 85 2.618 -9.222 3.764 1.00 0.00 C ATOM 1253 C PRO A 85 3.887 -8.854 3.003 1.00 0.00 C ATOM 1254 O PRO A 85 4.993 -9.213 3.408 1.00 0.00 O ATOM 1255 CB PRO A 85 2.299 -8.159 4.818 1.00 0.00 C ATOM 1256 CG PRO A 85 2.904 -8.678 6.076 1.00 0.00 C ATOM 1257 CD PRO A 85 2.790 -10.176 6.002 1.00 0.00 C ATOM 0 HA PRO A 85 1.849 -9.328 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.722 -7.192 4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.223 -8.018 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.946 -8.370 6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.381 -8.289 6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.628 -10.668 6.496 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.881 -10.534 6.485 1.00 0.00 H new ATOM 1265 N THR A 86 3.721 -8.135 1.897 1.00 0.00 N ATOM 1266 CA THR A 86 4.853 -7.719 1.079 1.00 0.00 C ATOM 1267 C THR A 86 4.732 -6.253 0.677 1.00 0.00 C ATOM 1268 O THR A 86 3.794 -5.867 -0.021 1.00 0.00 O ATOM 1269 CB THR A 86 4.973 -8.580 -0.193 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.631 -9.939 0.101 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.384 -8.517 -0.758 1.00 0.00 C ATOM 0 H THR A 86 2.813 -7.829 1.547 1.00 0.00 H new ATOM 0 HA THR A 86 5.748 -7.854 1.686 1.00 0.00 H new ATOM 0 HB THR A 86 4.283 -8.186 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.328 -10.338 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.444 -9.133 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.630 -7.485 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.090 -8.888 -0.015 1.00 0.00 H new ATOM 1279 N ILE A 87 5.685 -5.442 1.122 1.00 0.00 N ATOM 1280 CA ILE A 87 5.686 -4.019 0.807 1.00 0.00 C ATOM 1281 C ILE A 87 6.805 -3.672 -0.169 1.00 0.00 C ATOM 1282 O ILE A 87 7.958 -4.058 0.029 1.00 0.00 O ATOM 1283 CB ILE A 87 5.842 -3.161 2.076 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.699 -3.445 3.054 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.884 -1.684 1.716 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.089 -3.273 4.505 1.00 0.00 C ATOM 0 H ILE A 87 6.467 -5.746 1.702 1.00 0.00 H new ATOM 0 HA ILE A 87 4.724 -3.798 0.345 1.00 0.00 H new ATOM 0 HB ILE A 87 6.783 -3.423 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.865 -2.780 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.344 -4.464 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.995 -1.091 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.729 -1.495 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.959 -1.406 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.231 -3.490 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.902 -3.957 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.416 -2.247 4.675 1.00 0.00 H new ATOM 1298 N LYS A 88 6.459 -2.940 -1.222 1.00 0.00 N ATOM 1299 CA LYS A 88 7.434 -2.536 -2.228 1.00 0.00 C ATOM 1300 C LYS A 88 7.160 -1.117 -2.714 1.00 0.00 C ATOM 1301 O LYS A 88 6.012 -0.750 -2.969 1.00 0.00 O ATOM 1302 CB LYS A 88 7.407 -3.506 -3.411 1.00 0.00 C ATOM 1303 CG LYS A 88 7.494 -4.967 -3.003 1.00 0.00 C ATOM 1304 CD LYS A 88 8.935 -5.448 -2.956 1.00 0.00 C ATOM 1305 CE LYS A 88 9.039 -6.927 -3.292 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.444 -7.416 -3.216 1.00 0.00 N ATOM 0 H LYS A 88 5.509 -2.614 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 88 8.422 -2.558 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.489 -3.350 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.237 -3.274 -4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.033 -5.101 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.929 -5.577 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.536 -4.871 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.347 -5.269 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.417 -7.500 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.648 -7.100 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.452 -8.455 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.987 -7.039 -4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.876 -7.095 -2.326 1.00 0.00 H new ATOM 1320 N ILE A 89 8.219 -0.325 -2.841 1.00 0.00 N ATOM 1321 CA ILE A 89 8.091 1.053 -3.299 1.00 0.00 C ATOM 1322 C ILE A 89 8.291 1.152 -4.807 1.00 0.00 C ATOM 1323 O ILE A 89 9.109 0.434 -5.384 1.00 0.00 O ATOM 1324 CB ILE A 89 9.103 1.976 -2.596 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.767 2.100 -1.109 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.118 3.347 -3.257 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.308 0.963 -0.270 1.00 0.00 C ATOM 0 H ILE A 89 9.175 -0.614 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 89 7.081 1.377 -3.047 1.00 0.00 H new ATOM 0 HB ILE A 89 10.097 1.538 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.167 3.041 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.684 2.144 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.838 3.988 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.401 3.243 -4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.126 3.793 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.032 1.117 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.889 0.020 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.394 0.932 -0.357 1.00 0.00 H new ATOM 1339 N PHE A 90 7.542 2.047 -5.441 1.00 0.00 N ATOM 1340 CA PHE A 90 7.637 2.241 -6.883 1.00 0.00 C ATOM 1341 C PHE A 90 7.751 3.724 -7.226 1.00 0.00 C ATOM 1342 O PHE A 90 6.870 4.517 -6.894 1.00 0.00 O ATOM 1343 CB PHE A 90 6.419 1.636 -7.583 1.00 0.00 C ATOM 1344 CG PHE A 90 6.304 0.149 -7.408 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.719 -0.385 -6.271 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.782 -0.715 -8.380 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.612 -1.753 -6.106 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.677 -2.084 -8.221 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.092 -2.604 -7.083 1.00 0.00 C ATOM 0 H PHE A 90 6.862 2.650 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 90 8.536 1.735 -7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.516 2.110 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.470 1.866 -8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.342 0.276 -5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.242 -0.314 -9.271 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.154 -2.156 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.052 -2.747 -8.986 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.010 -3.673 -6.957 1.00 0.00 H new ATOM 1359 N GLN A 91 8.841 4.089 -7.892 1.00 0.00 N ATOM 1360 CA GLN A 91 9.071 5.476 -8.279 1.00 0.00 C ATOM 1361 C GLN A 91 8.914 5.654 -9.785 1.00 0.00 C ATOM 1362 O GLN A 91 9.090 4.709 -10.555 1.00 0.00 O ATOM 1363 CB GLN A 91 10.466 5.926 -7.843 1.00 0.00 C ATOM 1364 CG GLN A 91 10.541 6.348 -6.384 1.00 0.00 C ATOM 1365 CD GLN A 91 11.962 6.371 -5.856 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.892 6.763 -6.561 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.137 5.952 -4.608 1.00 0.00 N ATOM 0 H GLN A 91 9.579 3.444 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 91 8.326 6.094 -7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.171 5.113 -8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.782 6.759 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.100 7.339 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.944 5.664 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.337 5.636 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.071 5.947 -4.198 1.00 0.00 H new ATOM 1376 N LYS A 92 8.583 6.872 -10.201 1.00 0.00 N ATOM 1377 CA LYS A 92 8.403 7.176 -11.616 1.00 0.00 C ATOM 1378 C LYS A 92 9.730 7.092 -12.363 1.00 0.00 C ATOM 1379 O LYS A 92 10.534 8.022 -12.326 1.00 0.00 O ATOM 1380 CB LYS A 92 7.797 8.571 -11.786 1.00 0.00 C ATOM 1381 CG LYS A 92 7.459 8.916 -13.226 1.00 0.00 C ATOM 1382 CD LYS A 92 6.294 8.086 -13.740 1.00 0.00 C ATOM 1383 CE LYS A 92 6.422 7.808 -15.230 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.764 8.863 -16.049 1.00 0.00 N ATOM 0 H LYS A 92 8.434 7.665 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 92 7.721 6.437 -12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.892 8.641 -11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.497 9.312 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.212 9.975 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.333 8.748 -13.856 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.250 7.143 -13.195 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.358 8.611 -13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.477 7.745 -15.498 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.976 6.840 -15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.873 8.637 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.752 8.906 -15.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.206 9.783 -15.850 1.00 0.00 H new ATOM 1398 N GLY A 93 9.952 5.970 -13.043 1.00 0.00 N ATOM 1399 CA GLY A 93 11.182 5.787 -13.790 1.00 0.00 C ATOM 1400 C GLY A 93 12.261 5.105 -12.973 1.00 0.00 C ATOM 1401 O GLY A 93 12.982 4.246 -13.479 1.00 0.00 O ATOM 0 H GLY A 93 9.302 5.186 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.977 5.195 -14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.546 6.757 -14.128 1.00 0.00 H new ATOM 1405 N GLU A 94 12.372 5.488 -11.705 1.00 0.00 N ATOM 1406 CA GLU A 94 13.373 4.908 -10.817 1.00 0.00 C ATOM 1407 C GLU A 94 13.062 3.442 -10.531 1.00 0.00 C ATOM 1408 O GLU A 94 11.991 2.944 -10.877 1.00 0.00 O ATOM 1409 CB GLU A 94 13.438 5.693 -9.505 1.00 0.00 C ATOM 1410 CG GLU A 94 14.325 6.924 -9.575 1.00 0.00 C ATOM 1411 CD GLU A 94 14.774 7.400 -8.207 1.00 0.00 C ATOM 1412 OE1 GLU A 94 15.576 6.690 -7.565 1.00 0.00 O ATOM 1413 OE2 GLU A 94 14.321 8.482 -7.778 1.00 0.00 O ATOM 0 H GLU A 94 11.782 6.197 -11.270 1.00 0.00 H new ATOM 0 HA GLU A 94 14.341 4.965 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.430 5.998 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.804 5.036 -8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.202 6.701 -10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.785 7.728 -10.076 1.00 0.00 H new ATOM 1420 N SER A 95 14.008 2.756 -9.897 1.00 0.00 N ATOM 1421 CA SER A 95 13.838 1.345 -9.568 1.00 0.00 C ATOM 1422 C SER A 95 13.074 1.181 -8.257 1.00 0.00 C ATOM 1423 O SER A 95 13.219 1.969 -7.322 1.00 0.00 O ATOM 1424 CB SER A 95 15.200 0.656 -9.467 1.00 0.00 C ATOM 1425 OG SER A 95 15.112 -0.706 -9.850 1.00 0.00 O ATOM 0 H SER A 95 14.899 3.154 -9.601 1.00 0.00 H new ATOM 0 HA SER A 95 13.260 0.878 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.919 1.170 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.572 0.726 -8.445 1.00 0.00 H new ATOM 0 HG SER A 95 14.650 -0.774 -10.711 1.00 0.00 H new ATOM 1431 N PRO A 96 12.241 0.133 -8.186 1.00 0.00 N ATOM 1432 CA PRO A 96 11.438 -0.160 -6.995 1.00 0.00 C ATOM 1433 C PRO A 96 12.290 -0.634 -5.823 1.00 0.00 C ATOM 1434 O PRO A 96 13.427 -1.070 -6.006 1.00 0.00 O ATOM 1435 CB PRO A 96 10.504 -1.279 -7.464 1.00 0.00 C ATOM 1436 CG PRO A 96 11.232 -1.936 -8.586 1.00 0.00 C ATOM 1437 CD PRO A 96 12.018 -0.847 -9.262 1.00 0.00 C ATOM 0 HA PRO A 96 10.917 0.724 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.297 -1.985 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.544 -0.881 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.891 -2.722 -8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.536 -2.405 -9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.959 -1.222 -9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.466 -0.411 -10.094 1.00 0.00 H new ATOM 1445 N VAL A 97 11.734 -0.547 -4.619 1.00 0.00 N ATOM 1446 CA VAL A 97 12.443 -0.969 -3.417 1.00 0.00 C ATOM 1447 C VAL A 97 11.816 -2.223 -2.820 1.00 0.00 C ATOM 1448 O VAL A 97 10.710 -2.615 -3.194 1.00 0.00 O ATOM 1449 CB VAL A 97 12.452 0.144 -2.352 1.00 0.00 C ATOM 1450 CG1 VAL A 97 13.341 -0.246 -1.180 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.907 1.461 -2.961 1.00 0.00 C ATOM 0 H VAL A 97 10.794 -0.188 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 97 13.469 -1.186 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 97 11.436 0.274 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.335 0.552 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.966 -1.164 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.360 -0.405 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.907 2.236 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.914 1.348 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 97 12.226 1.745 -3.764 1.00 0.00 H new ATOM 1461 N ASP A 98 12.528 -2.850 -1.891 1.00 0.00 N ATOM 1462 CA ASP A 98 12.041 -4.060 -1.240 1.00 0.00 C ATOM 1463 C ASP A 98 11.912 -3.854 0.266 1.00 0.00 C ATOM 1464 O ASP A 98 12.798 -4.231 1.033 1.00 0.00 O ATOM 1465 CB ASP A 98 12.979 -5.233 -1.528 1.00 0.00 C ATOM 1466 CG ASP A 98 12.969 -5.638 -2.989 1.00 0.00 C ATOM 1467 OD1 ASP A 98 12.601 -4.796 -3.836 1.00 0.00 O ATOM 1468 OD2 ASP A 98 13.328 -6.796 -3.286 1.00 0.00 O ATOM 0 H ASP A 98 13.446 -2.540 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 98 11.054 -4.287 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.994 -4.963 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.687 -6.086 -0.916 1.00 0.00 H new ATOM 1473 N TYR A 99 10.804 -3.251 0.683 1.00 0.00 N ATOM 1474 CA TYR A 99 10.560 -2.991 2.097 1.00 0.00 C ATOM 1475 C TYR A 99 10.263 -4.287 2.846 1.00 0.00 C ATOM 1476 O TYR A 99 9.212 -4.898 2.658 1.00 0.00 O ATOM 1477 CB TYR A 99 9.396 -2.014 2.264 1.00 0.00 C ATOM 1478 CG TYR A 99 9.266 -1.460 3.665 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.044 -2.302 4.748 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.367 -0.096 3.906 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.924 -1.800 6.029 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.250 0.415 5.184 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.028 -0.442 6.243 1.00 0.00 C ATOM 1484 OH TYR A 99 8.911 0.062 7.518 1.00 0.00 O ATOM 0 H TYR A 99 10.060 -2.933 0.062 1.00 0.00 H new ATOM 0 HA TYR A 99 11.461 -2.547 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.524 -1.187 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.468 -2.518 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.964 -3.367 4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.540 0.577 3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.749 -2.468 6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.332 1.478 5.354 1.00 0.00 H new ATOM 0 HH TYR A 99 8.467 -0.597 8.091 1.00 0.00 H new ATOM 1494 N ASP A 100 11.198 -4.698 3.695 1.00 0.00 N ATOM 1495 CA ASP A 100 11.037 -5.920 4.475 1.00 0.00 C ATOM 1496 C ASP A 100 11.415 -5.687 5.935 1.00 0.00 C ATOM 1497 O ASP A 100 12.025 -6.543 6.573 1.00 0.00 O ATOM 1498 CB ASP A 100 11.894 -7.042 3.887 1.00 0.00 C ATOM 1499 CG ASP A 100 13.363 -6.674 3.818 1.00 0.00 C ATOM 1500 OD1 ASP A 100 13.666 -5.490 3.560 1.00 0.00 O ATOM 1501 OD2 ASP A 100 14.210 -7.569 4.021 1.00 0.00 O ATOM 0 H ASP A 100 12.075 -4.204 3.861 1.00 0.00 H new ATOM 0 HA ASP A 100 9.988 -6.213 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.776 -7.941 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.535 -7.282 2.886 1.00 0.00 H new ATOM 1506 N GLY A 101 11.048 -4.520 6.457 1.00 0.00 N ATOM 1507 CA GLY A 101 11.358 -4.194 7.836 1.00 0.00 C ATOM 1508 C GLY A 101 10.115 -4.053 8.692 1.00 0.00 C ATOM 1509 O GLY A 101 9.128 -4.759 8.487 1.00 0.00 O ATOM 0 H GLY A 101 10.542 -3.795 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.998 -4.971 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.925 -3.263 7.868 1.00 0.00 H new ATOM 1513 N GLY A 102 10.162 -3.138 9.656 1.00 0.00 N ATOM 1514 CA GLY A 102 9.025 -2.925 10.533 1.00 0.00 C ATOM 1515 C GLY A 102 7.705 -2.951 9.787 1.00 0.00 C ATOM 1516 O GLY A 102 7.545 -2.274 8.772 1.00 0.00 O ATOM 0 H GLY A 102 10.967 -2.541 9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.017 -3.693 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.134 -1.965 11.038 1.00 0.00 H new ATOM 1520 N ARG A 103 6.758 -3.736 10.292 1.00 0.00 N ATOM 1521 CA ARG A 103 5.447 -3.850 9.665 1.00 0.00 C ATOM 1522 C ARG A 103 4.399 -3.069 10.453 1.00 0.00 C ATOM 1523 O ARG A 103 3.298 -3.563 10.702 1.00 0.00 O ATOM 1524 CB ARG A 103 5.033 -5.319 9.561 1.00 0.00 C ATOM 1525 CG ARG A 103 3.809 -5.547 8.690 1.00 0.00 C ATOM 1526 CD ARG A 103 3.140 -6.875 9.006 1.00 0.00 C ATOM 1527 NE ARG A 103 4.016 -8.010 8.726 1.00 0.00 N ATOM 1528 CZ ARG A 103 3.858 -9.212 9.268 1.00 0.00 C ATOM 1529 NH1 ARG A 103 2.863 -9.435 10.116 1.00 0.00 N ATOM 1530 NH2 ARG A 103 4.697 -10.194 8.963 1.00 0.00 N ATOM 0 H ARG A 103 6.875 -4.302 11.133 1.00 0.00 H new ATOM 0 HA ARG A 103 5.513 -3.427 8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.867 -5.895 9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.833 -5.703 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 103 3.098 -4.735 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.099 -5.526 7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.848 -6.893 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.226 -6.969 8.419 1.00 0.00 H new ATOM 0 HE ARG A 103 4.792 -7.872 8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.217 -8.682 10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.744 -10.359 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.464 -10.026 8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.575 -11.117 9.380 1.00 0.00 H new ATOM 1544 N THR A 104 4.747 -1.847 10.843 1.00 0.00 N ATOM 1545 CA THR A 104 3.838 -0.999 11.603 1.00 0.00 C ATOM 1546 C THR A 104 3.731 0.388 10.981 1.00 0.00 C ATOM 1547 O THR A 104 4.638 0.837 10.280 1.00 0.00 O ATOM 1548 CB THR A 104 4.294 -0.859 13.068 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.005 -2.034 13.475 1.00 0.00 O ATOM 1550 CG2 THR A 104 3.101 -0.638 13.987 1.00 0.00 C ATOM 0 H THR A 104 5.653 -1.422 10.645 1.00 0.00 H new ATOM 0 HA THR A 104 2.861 -1.481 11.579 1.00 0.00 H new ATOM 0 HB THR A 104 4.953 0.006 13.139 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.293 -1.936 14.407 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.447 -0.542 15.016 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.579 0.273 13.693 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.421 -1.486 13.911 1.00 0.00 H new ATOM 1558 N ARG A 105 2.617 1.064 11.243 1.00 0.00 N ATOM 1559 CA ARG A 105 2.391 2.402 10.708 1.00 0.00 C ATOM 1560 C ARG A 105 3.571 3.318 11.019 1.00 0.00 C ATOM 1561 O ARG A 105 3.894 4.216 10.242 1.00 0.00 O ATOM 1562 CB ARG A 105 1.105 2.995 11.286 1.00 0.00 C ATOM 1563 CG ARG A 105 1.305 3.707 12.614 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.020 4.149 13.214 1.00 0.00 C ATOM 1565 NE ARG A 105 0.154 4.776 14.522 1.00 0.00 N ATOM 1566 CZ ARG A 105 0.424 4.099 15.632 1.00 0.00 C ATOM 1567 NH1 ARG A 105 0.551 2.780 15.593 1.00 0.00 N ATOM 1568 NH2 ARG A 105 0.568 4.742 16.784 1.00 0.00 N ATOM 0 H ARG A 105 1.857 0.707 11.822 1.00 0.00 H new ATOM 0 HA ARG A 105 2.291 2.321 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.684 3.697 10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.374 2.197 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.818 3.043 13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.948 4.575 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.508 4.851 12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.680 3.287 13.310 1.00 0.00 H new ATOM 0 HE ARG A 105 0.063 5.790 14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 105 0.441 2.283 14.709 1.00 0.00 H new ATOM 0 HH12 ARG A 105 0.758 2.262 16.447 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.471 5.757 16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 105 0.775 4.221 17.636 1.00 0.00 H new ATOM 1582 N SER A 106 4.210 3.084 12.161 1.00 0.00 N ATOM 1583 CA SER A 106 5.351 3.891 12.577 1.00 0.00 C ATOM 1584 C SER A 106 6.500 3.761 11.582 1.00 0.00 C ATOM 1585 O SER A 106 6.908 4.740 10.956 1.00 0.00 O ATOM 1586 CB SER A 106 5.819 3.470 13.971 1.00 0.00 C ATOM 1587 OG SER A 106 5.123 4.182 14.980 1.00 0.00 O ATOM 0 H SER A 106 3.957 2.343 12.814 1.00 0.00 H new ATOM 0 HA SER A 106 5.035 4.934 12.607 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.662 2.399 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.890 3.649 14.068 1.00 0.00 H new ATOM 0 HG SER A 106 5.439 3.893 15.861 1.00 0.00 H new ATOM 1593 N ASP A 107 7.018 2.546 11.442 1.00 0.00 N ATOM 1594 CA ASP A 107 8.120 2.286 10.522 1.00 0.00 C ATOM 1595 C ASP A 107 7.714 2.599 9.086 1.00 0.00 C ATOM 1596 O ASP A 107 8.359 3.401 8.409 1.00 0.00 O ATOM 1597 CB ASP A 107 8.570 0.828 10.632 1.00 0.00 C ATOM 1598 CG ASP A 107 8.763 0.388 12.070 1.00 0.00 C ATOM 1599 OD1 ASP A 107 9.852 0.640 12.626 1.00 0.00 O ATOM 1600 OD2 ASP A 107 7.825 -0.209 12.639 1.00 0.00 O ATOM 0 H ASP A 107 6.693 1.726 11.953 1.00 0.00 H new ATOM 0 HA ASP A 107 8.951 2.936 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.830 0.186 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.505 0.697 10.087 1.00 0.00 H new ATOM 1605 N ILE A 108 6.643 1.960 8.626 1.00 0.00 N ATOM 1606 CA ILE A 108 6.152 2.172 7.270 1.00 0.00 C ATOM 1607 C ILE A 108 6.145 3.654 6.912 1.00 0.00 C ATOM 1608 O ILE A 108 6.531 4.039 5.808 1.00 0.00 O ATOM 1609 CB ILE A 108 4.731 1.605 7.091 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.720 0.100 7.367 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.218 1.896 5.689 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.377 -0.420 7.829 1.00 0.00 C ATOM 0 H ILE A 108 6.099 1.292 9.172 1.00 0.00 H new ATOM 0 HA ILE A 108 6.832 1.643 6.602 1.00 0.00 H new ATOM 0 HB ILE A 108 4.069 2.091 7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.013 -0.430 6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.469 -0.128 8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.213 1.489 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.193 2.974 5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.880 1.434 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.444 -1.494 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.090 0.083 8.753 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.628 -0.224 7.062 1.00 0.00 H new ATOM 1624 N VAL A 109 5.706 4.482 7.854 1.00 0.00 N ATOM 1625 CA VAL A 109 5.652 5.924 7.640 1.00 0.00 C ATOM 1626 C VAL A 109 7.052 6.525 7.593 1.00 0.00 C ATOM 1627 O VAL A 109 7.392 7.257 6.663 1.00 0.00 O ATOM 1628 CB VAL A 109 4.841 6.625 8.746 1.00 0.00 C ATOM 1629 CG1 VAL A 109 5.060 8.129 8.697 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.363 6.289 8.617 1.00 0.00 C ATOM 0 H VAL A 109 5.382 4.180 8.773 1.00 0.00 H new ATOM 0 HA VAL A 109 5.159 6.084 6.681 1.00 0.00 H new ATOM 0 HB VAL A 109 5.190 6.262 9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.479 8.607 9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.118 8.348 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.740 8.512 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.805 6.793 9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.998 6.622 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.226 5.211 8.707 1.00 0.00 H new ATOM 1640 N SER A 110 7.859 6.211 8.600 1.00 0.00 N ATOM 1641 CA SER A 110 9.223 6.724 8.675 1.00 0.00 C ATOM 1642 C SER A 110 9.917 6.620 7.321 1.00 0.00 C ATOM 1643 O SER A 110 10.560 7.567 6.867 1.00 0.00 O ATOM 1644 CB SER A 110 10.021 5.956 9.731 1.00 0.00 C ATOM 1645 OG SER A 110 11.385 6.342 9.719 1.00 0.00 O ATOM 0 H SER A 110 7.593 5.604 9.376 1.00 0.00 H new ATOM 0 HA SER A 110 9.175 7.775 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.596 6.140 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.941 4.885 9.544 1.00 0.00 H new ATOM 0 HG SER A 110 11.873 5.839 10.403 1.00 0.00 H new ATOM 1651 N ARG A 111 9.783 5.463 6.681 1.00 0.00 N ATOM 1652 CA ARG A 111 10.398 5.235 5.379 1.00 0.00 C ATOM 1653 C ARG A 111 9.844 6.203 4.338 1.00 0.00 C ATOM 1654 O ARG A 111 10.581 7.012 3.775 1.00 0.00 O ATOM 1655 CB ARG A 111 10.161 3.793 4.926 1.00 0.00 C ATOM 1656 CG ARG A 111 11.009 3.383 3.732 1.00 0.00 C ATOM 1657 CD ARG A 111 12.470 3.213 4.118 1.00 0.00 C ATOM 1658 NE ARG A 111 12.777 1.841 4.512 1.00 0.00 N ATOM 1659 CZ ARG A 111 14.001 1.416 4.804 1.00 0.00 C ATOM 1660 NH1 ARG A 111 15.027 2.254 4.748 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.200 0.152 5.154 1.00 0.00 N ATOM 0 H ARG A 111 9.254 4.669 7.043 1.00 0.00 H new ATOM 0 HA ARG A 111 11.470 5.408 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.370 3.121 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.108 3.669 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.630 2.448 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.924 4.136 2.948 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.102 3.499 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.708 3.888 4.940 1.00 0.00 H new ATOM 0 HE ARG A 111 12.009 1.172 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.877 3.227 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.966 1.926 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.413 -0.495 5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.140 -0.173 5.378 1.00 0.00 H new ATOM 1675 N ALA A 112 8.542 6.115 4.088 1.00 0.00 N ATOM 1676 CA ALA A 112 7.890 6.984 3.117 1.00 0.00 C ATOM 1677 C ALA A 112 8.507 8.379 3.127 1.00 0.00 C ATOM 1678 O ALA A 112 8.649 9.013 2.081 1.00 0.00 O ATOM 1679 CB ALA A 112 6.397 7.063 3.399 1.00 0.00 C ATOM 0 H ALA A 112 7.918 5.450 4.545 1.00 0.00 H new ATOM 0 HA ALA A 112 8.039 6.557 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.922 7.715 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.961 6.066 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.236 7.464 4.400 1.00 0.00 H new ATOM 1685 N LEU A 113 8.870 8.851 4.314 1.00 0.00 N ATOM 1686 CA LEU A 113 9.472 10.172 4.460 1.00 0.00 C ATOM 1687 C LEU A 113 10.877 10.199 3.868 1.00 0.00 C ATOM 1688 O LEU A 113 11.224 11.103 3.108 1.00 0.00 O ATOM 1689 CB LEU A 113 9.520 10.572 5.936 1.00 0.00 C ATOM 1690 CG LEU A 113 8.188 10.985 6.563 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.328 11.123 8.071 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.690 12.286 5.950 1.00 0.00 C ATOM 0 H LEU A 113 8.758 8.339 5.189 1.00 0.00 H new ATOM 0 HA LEU A 113 8.855 10.887 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.923 9.735 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.222 11.399 6.045 1.00 0.00 H new ATOM 0 HG LEU A 113 7.454 10.206 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.370 11.417 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.638 10.169 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.076 11.882 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.741 12.564 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.422 13.074 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.549 12.152 4.877 1.00 0.00 H new ATOM 1704 N ASP A 114 11.681 9.201 4.220 1.00 0.00 N ATOM 1705 CA ASP A 114 13.048 9.108 3.721 1.00 0.00 C ATOM 1706 C ASP A 114 13.091 9.322 2.211 1.00 0.00 C ATOM 1707 O ASP A 114 14.030 9.922 1.685 1.00 0.00 O ATOM 1708 CB ASP A 114 13.651 7.747 4.073 1.00 0.00 C ATOM 1709 CG ASP A 114 15.055 7.578 3.528 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.193 7.092 2.386 1.00 0.00 O ATOM 1711 OD2 ASP A 114 16.016 7.929 4.244 1.00 0.00 O ATOM 0 H ASP A 114 11.409 8.445 4.849 1.00 0.00 H new ATOM 0 HA ASP A 114 13.637 9.892 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.668 7.630 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.013 6.957 3.677 1.00 0.00 H new ATOM 1716 N LEU A 115 12.071 8.828 1.520 1.00 0.00 N ATOM 1717 CA LEU A 115 11.992 8.964 0.069 1.00 0.00 C ATOM 1718 C LEU A 115 11.362 10.298 -0.319 1.00 0.00 C ATOM 1719 O LEU A 115 11.867 11.004 -1.192 1.00 0.00 O ATOM 1720 CB LEU A 115 11.183 7.811 -0.528 1.00 0.00 C ATOM 1721 CG LEU A 115 11.615 6.404 -0.116 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.531 5.392 -0.454 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.926 6.029 -0.792 1.00 0.00 C ATOM 0 H LEU A 115 11.287 8.329 1.940 1.00 0.00 H new ATOM 0 HA LEU A 115 13.006 8.932 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.138 7.945 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.235 7.882 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 115 11.769 6.394 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.857 4.396 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.614 5.650 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.344 5.404 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.218 5.024 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.798 6.057 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.702 6.737 -0.500 1.00 0.00 H new ATOM 1735 N PHE A 116 10.256 10.637 0.336 1.00 0.00 N ATOM 1736 CA PHE A 116 9.557 11.887 0.060 1.00 0.00 C ATOM 1737 C PHE A 116 10.527 13.064 0.064 1.00 0.00 C ATOM 1738 O PHE A 116 10.627 13.803 -0.916 1.00 0.00 O ATOM 1739 CB PHE A 116 8.453 12.117 1.094 1.00 0.00 C ATOM 1740 CG PHE A 116 7.985 13.542 1.163 1.00 0.00 C ATOM 1741 CD1 PHE A 116 7.016 14.010 0.289 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.513 14.414 2.101 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.584 15.322 0.350 1.00 0.00 C ATOM 1744 CE2 PHE A 116 8.084 15.727 2.167 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.118 16.181 1.291 1.00 0.00 C ATOM 0 H PHE A 116 9.825 10.064 1.061 1.00 0.00 H new ATOM 0 HA PHE A 116 9.108 11.813 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.604 11.475 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.817 11.814 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.594 13.342 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.269 14.064 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.830 15.675 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.504 16.397 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.781 17.206 1.341 1.00 0.00 H new ATOM 1755 N SER A 117 11.240 13.233 1.173 1.00 0.00 N ATOM 1756 CA SER A 117 12.199 14.323 1.307 1.00 0.00 C ATOM 1757 C SER A 117 12.873 14.621 -0.028 1.00 0.00 C ATOM 1758 O SER A 117 13.125 15.778 -0.365 1.00 0.00 O ATOM 1759 CB SER A 117 13.255 13.975 2.358 1.00 0.00 C ATOM 1760 OG SER A 117 14.087 15.088 2.633 1.00 0.00 O ATOM 0 H SER A 117 11.172 12.629 1.992 1.00 0.00 H new ATOM 0 HA SER A 117 11.657 15.213 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.766 13.648 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.862 13.141 2.006 1.00 0.00 H new ATOM 0 HG SER A 117 14.752 14.840 3.309 1.00 0.00 H new ATOM 1766 N ASP A 118 13.163 13.568 -0.785 1.00 0.00 N ATOM 1767 CA ASP A 118 13.807 13.716 -2.085 1.00 0.00 C ATOM 1768 C ASP A 118 12.769 13.787 -3.201 1.00 0.00 C ATOM 1769 O ASP A 118 12.675 14.787 -3.912 1.00 0.00 O ATOM 1770 CB ASP A 118 14.766 12.551 -2.338 1.00 0.00 C ATOM 1771 CG ASP A 118 15.770 12.855 -3.433 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.363 12.909 -4.612 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.963 13.038 -3.110 1.00 0.00 O ATOM 0 H ASP A 118 12.962 12.603 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 118 14.372 14.648 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.298 12.315 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.193 11.665 -2.610 1.00 0.00 H new ATOM 1778 N ASN A 119 11.993 12.719 -3.350 1.00 0.00 N ATOM 1779 CA ASN A 119 10.963 12.659 -4.380 1.00 0.00 C ATOM 1780 C ASN A 119 10.193 13.975 -4.457 1.00 0.00 C ATOM 1781 O ASN A 119 10.310 14.718 -5.431 1.00 0.00 O ATOM 1782 CB ASN A 119 9.997 11.506 -4.100 1.00 0.00 C ATOM 1783 CG ASN A 119 10.476 10.194 -4.690 1.00 0.00 C ATOM 1784 OD1 ASN A 119 10.030 9.782 -5.761 1.00 0.00 O ATOM 1785 ND2 ASN A 119 11.390 9.530 -3.991 1.00 0.00 N ATOM 0 H ASN A 119 12.058 11.883 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 119 11.453 12.488 -5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.873 11.393 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.017 11.749 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.750 8.641 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.731 9.909 -3.108 1.00 0.00 H new ATOM 1792 N ALA A 120 9.408 14.255 -3.422 1.00 0.00 N ATOM 1793 CA ALA A 120 8.622 15.482 -3.371 1.00 0.00 C ATOM 1794 C ALA A 120 9.467 16.692 -3.753 1.00 0.00 C ATOM 1795 O ALA A 120 10.693 16.620 -3.842 1.00 0.00 O ATOM 1796 CB ALA A 120 8.026 15.669 -1.983 1.00 0.00 C ATOM 0 H ALA A 120 9.299 13.650 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 120 7.811 15.395 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.442 16.589 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.381 14.823 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.828 15.729 -1.248 1.00 0.00 H new ATOM 1802 N PRO A 121 8.799 17.832 -3.986 1.00 0.00 N ATOM 1803 CA PRO A 121 9.469 19.079 -4.363 1.00 0.00 C ATOM 1804 C PRO A 121 10.277 19.673 -3.215 1.00 0.00 C ATOM 1805 O PRO A 121 9.931 19.532 -2.042 1.00 0.00 O ATOM 1806 CB PRO A 121 8.309 20.006 -4.736 1.00 0.00 C ATOM 1807 CG PRO A 121 7.143 19.479 -3.974 1.00 0.00 C ATOM 1808 CD PRO A 121 7.337 17.990 -3.898 1.00 0.00 C ATOM 0 HA PRO A 121 10.188 18.928 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.525 21.039 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.120 19.991 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.097 19.918 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.206 19.726 -4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.944 17.580 -2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.827 17.476 -4.713 1.00 0.00 H new ATOM 1816 N PRO A 122 11.381 20.355 -3.557 1.00 0.00 N ATOM 1817 CA PRO A 122 12.261 20.985 -2.568 1.00 0.00 C ATOM 1818 C PRO A 122 11.609 22.187 -1.894 1.00 0.00 C ATOM 1819 O PRO A 122 10.564 22.678 -2.322 1.00 0.00 O ATOM 1820 CB PRO A 122 13.468 21.427 -3.398 1.00 0.00 C ATOM 1821 CG PRO A 122 12.937 21.595 -4.780 1.00 0.00 C ATOM 1822 CD PRO A 122 11.854 20.563 -4.936 1.00 0.00 C ATOM 0 HA PRO A 122 12.512 20.305 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 122 13.889 22.359 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 122 14.263 20.682 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 122 12.542 22.600 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.724 21.450 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 122 11.054 20.915 -5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 122 12.237 19.641 -5.373 1.00 0.00 H new ATOM 1830 N PRO A 123 12.237 22.674 -0.814 1.00 0.00 N ATOM 1831 CA PRO A 123 11.736 23.826 -0.059 1.00 0.00 C ATOM 1832 C PRO A 123 11.859 25.130 -0.840 1.00 0.00 C ATOM 1833 O PRO A 123 12.078 25.119 -2.051 1.00 0.00 O ATOM 1834 CB PRO A 123 12.636 23.858 1.179 1.00 0.00 C ATOM 1835 CG PRO A 123 13.895 23.188 0.749 1.00 0.00 C ATOM 1836 CD PRO A 123 13.487 22.139 -0.248 1.00 0.00 C ATOM 0 HA PRO A 123 10.675 23.731 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 123 12.823 24.881 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 123 12.175 23.335 2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 123 14.585 23.904 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 123 14.408 22.739 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 123 14.247 21.997 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 123 13.331 21.171 0.228 1.00 0.00 H new ATOM 1844 N GLU A 124 11.717 26.250 -0.139 1.00 0.00 N ATOM 1845 CA GLU A 124 11.813 27.562 -0.769 1.00 0.00 C ATOM 1846 C GLU A 124 13.136 28.238 -0.422 1.00 0.00 C ATOM 1847 O GLU A 124 13.200 29.457 -0.259 1.00 0.00 O ATOM 1848 CB GLU A 124 10.645 28.449 -0.331 1.00 0.00 C ATOM 1849 CG GLU A 124 10.461 29.684 -1.197 1.00 0.00 C ATOM 1850 CD GLU A 124 9.803 29.372 -2.527 1.00 0.00 C ATOM 1851 OE1 GLU A 124 10.464 28.753 -3.386 1.00 0.00 O ATOM 1852 OE2 GLU A 124 8.625 29.747 -2.708 1.00 0.00 O ATOM 0 H GLU A 124 11.535 26.276 0.864 1.00 0.00 H new ATOM 0 HA GLU A 124 11.769 27.421 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.727 27.862 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.803 28.760 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.856 30.413 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.432 30.146 -1.376 1.00 0.00 H new ATOM 1859 N LEU A 125 14.190 27.437 -0.308 1.00 0.00 N ATOM 1860 CA LEU A 125 15.513 27.956 0.020 1.00 0.00 C ATOM 1861 C LEU A 125 16.593 26.919 -0.273 1.00 0.00 C ATOM 1862 O LEU A 125 16.303 25.732 -0.428 1.00 0.00 O ATOM 1863 CB LEU A 125 15.571 28.366 1.493 1.00 0.00 C ATOM 1864 CG LEU A 125 15.793 27.234 2.497 1.00 0.00 C ATOM 1865 CD1 LEU A 125 14.810 26.101 2.249 1.00 0.00 C ATOM 1866 CD2 LEU A 125 17.225 26.727 2.420 1.00 0.00 C ATOM 0 H LEU A 125 14.154 26.426 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 125 15.697 28.832 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 125 16.372 29.095 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.639 28.871 1.746 1.00 0.00 H new ATOM 0 HG LEU A 125 15.620 27.624 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.983 25.304 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.791 26.473 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.950 25.712 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 125 17.365 25.922 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 125 17.425 26.354 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.912 27.542 2.648 1.00 0.00 H new ATOM 1878 N LEU A 126 17.839 27.374 -0.346 1.00 0.00 N ATOM 1879 CA LEU A 126 18.964 26.486 -0.618 1.00 0.00 C ATOM 1880 C LEU A 126 19.471 25.841 0.667 1.00 0.00 C ATOM 1881 O LEU A 126 19.784 26.531 1.637 1.00 0.00 O ATOM 1882 CB LEU A 126 20.096 27.258 -1.297 1.00 0.00 C ATOM 1883 CG LEU A 126 19.872 27.628 -2.763 1.00 0.00 C ATOM 1884 CD1 LEU A 126 20.780 28.779 -3.168 1.00 0.00 C ATOM 1885 CD2 LEU A 126 20.106 26.421 -3.660 1.00 0.00 C ATOM 0 H LEU A 126 18.096 28.353 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 126 18.619 25.697 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 126 20.272 28.175 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 126 21.007 26.663 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 126 18.837 27.949 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 126 20.606 29.028 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 126 20.564 29.649 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 126 21.821 28.486 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 126 19.942 26.703 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 126 21.130 26.069 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 126 19.414 25.625 -3.387 1.00 0.00 H new ATOM 1897 N GLU A 127 19.552 24.514 0.666 1.00 0.00 N ATOM 1898 CA GLU A 127 20.024 23.776 1.832 1.00 0.00 C ATOM 1899 C GLU A 127 21.103 22.771 1.440 1.00 0.00 C ATOM 1900 O GLU A 127 22.215 22.801 1.968 1.00 0.00 O ATOM 1901 CB GLU A 127 18.859 23.052 2.510 1.00 0.00 C ATOM 1902 CG GLU A 127 19.194 22.524 3.895 1.00 0.00 C ATOM 1903 CD GLU A 127 19.402 23.633 4.908 1.00 0.00 C ATOM 1904 OE1 GLU A 127 18.458 24.420 5.127 1.00 0.00 O ATOM 1905 OE2 GLU A 127 20.509 23.715 5.480 1.00 0.00 O ATOM 0 H GLU A 127 19.297 23.928 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 127 20.456 24.491 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 127 18.013 23.735 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 127 18.543 22.221 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 127 18.389 21.872 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 127 20.096 21.914 3.839 1.00 0.00 H new ATOM 1912 N SER A 128 20.767 21.882 0.511 1.00 0.00 N ATOM 1913 CA SER A 128 21.705 20.865 0.051 1.00 0.00 C ATOM 1914 C SER A 128 21.671 20.743 -1.469 1.00 0.00 C ATOM 1915 O SER A 128 20.622 20.897 -2.093 1.00 0.00 O ATOM 1916 CB SER A 128 21.378 19.514 0.690 1.00 0.00 C ATOM 1917 OG SER A 128 22.497 18.646 0.648 1.00 0.00 O ATOM 0 H SER A 128 19.852 21.845 0.062 1.00 0.00 H new ATOM 0 HA SER A 128 22.708 21.168 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 128 21.068 19.663 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 128 20.538 19.055 0.168 1.00 0.00 H new ATOM 0 HG SER A 128 22.263 17.790 1.064 1.00 0.00 H new ATOM 1923 N GLY A 129 22.830 20.465 -2.060 1.00 0.00 N ATOM 1924 CA GLY A 129 22.912 20.327 -3.502 1.00 0.00 C ATOM 1925 C GLY A 129 21.673 19.687 -4.096 1.00 0.00 C ATOM 1926 O GLY A 129 21.471 18.476 -4.008 1.00 0.00 O ATOM 0 H GLY A 129 23.712 20.333 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 129 23.059 21.310 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 129 23.785 19.726 -3.757 1.00 0.00 H new ATOM 1930 N PRO A 130 20.816 20.511 -4.715 1.00 0.00 N ATOM 1931 CA PRO A 130 19.574 20.041 -5.336 1.00 0.00 C ATOM 1932 C PRO A 130 19.831 19.209 -6.588 1.00 0.00 C ATOM 1933 O PRO A 130 20.976 19.031 -7.002 1.00 0.00 O ATOM 1934 CB PRO A 130 18.844 21.338 -5.697 1.00 0.00 C ATOM 1935 CG PRO A 130 19.925 22.352 -5.844 1.00 0.00 C ATOM 1936 CD PRO A 130 20.993 21.966 -4.857 1.00 0.00 C ATOM 0 HA PRO A 130 19.008 19.388 -4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 130 18.276 21.229 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 130 18.136 21.624 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 130 20.318 22.359 -6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 130 19.550 23.355 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 130 21.989 22.216 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 130 20.866 22.481 -3.905 1.00 0.00 H new ATOM 1944 N SER A 131 18.758 18.702 -7.187 1.00 0.00 N ATOM 1945 CA SER A 131 18.868 17.886 -8.390 1.00 0.00 C ATOM 1946 C SER A 131 17.804 18.277 -9.411 1.00 0.00 C ATOM 1947 O SER A 131 16.741 18.786 -9.053 1.00 0.00 O ATOM 1948 CB SER A 131 18.734 16.403 -8.039 1.00 0.00 C ATOM 1949 OG SER A 131 19.048 15.585 -9.153 1.00 0.00 O ATOM 0 H SER A 131 17.803 18.842 -6.859 1.00 0.00 H new ATOM 0 HA SER A 131 19.850 18.061 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.397 16.161 -7.208 1.00 0.00 H new ATOM 0 HB3 SER A 131 17.717 16.195 -7.706 1.00 0.00 H new ATOM 0 HG SER A 131 18.957 14.642 -8.903 1.00 0.00 H new ATOM 1955 N SER A 132 18.098 18.035 -10.684 1.00 0.00 N ATOM 1956 CA SER A 132 17.169 18.365 -11.759 1.00 0.00 C ATOM 1957 C SER A 132 16.924 17.156 -12.656 1.00 0.00 C ATOM 1958 O SER A 132 17.516 16.095 -12.462 1.00 0.00 O ATOM 1959 CB SER A 132 17.711 19.529 -12.591 1.00 0.00 C ATOM 1960 OG SER A 132 17.869 20.693 -11.798 1.00 0.00 O ATOM 0 H SER A 132 18.972 17.612 -10.997 1.00 0.00 H new ATOM 0 HA SER A 132 16.221 18.660 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 132 18.669 19.251 -13.030 1.00 0.00 H new ATOM 0 HB3 SER A 132 17.031 19.737 -13.417 1.00 0.00 H new ATOM 0 HG SER A 132 18.218 21.422 -12.353 1.00 0.00 H new ATOM 1966 N GLY A 133 16.045 17.324 -13.640 1.00 0.00 N ATOM 1967 CA GLY A 133 15.736 16.239 -14.552 1.00 0.00 C ATOM 1968 C GLY A 133 16.080 16.575 -15.990 1.00 0.00 C ATOM 1969 O GLY A 133 15.416 17.400 -16.617 1.00 0.00 O ATOM 0 H GLY A 133 15.542 18.192 -13.821 1.00 0.00 H new ATOM 0 HA2 GLY A 133 16.284 15.347 -14.249 1.00 0.00 H new ATOM 0 HA3 GLY A 133 14.675 16.000 -14.482 1.00 0.00 H new TER 1973 GLY A 133