USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 741 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 25 GLN : amide:sc= 0.253 K(o=0.7,f=-1.9!) USER MOD Set 1.2: A 85 TYR OH : rot 122:sc= 0.443 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0753) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.0166 (180deg=-0.437) USER MOD Single : A 7 ASN : amide:sc= -4.47! C(o=-4.5!,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -54:sc= 0.879 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0682) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= 1.07 F(o=-0.13,f=1.1) USER MOD Single : A 24 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.1!) USER MOD Single : A 28 ASN : amide:sc= -0.824 K(o=-0.82,f=-7.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 137:sc= -0.456 (180deg=-2.03!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -123:sc= -4.94! (180deg=-10.2!) USER MOD Single : A 46 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 30:sc= -2.2 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.5) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.948 K(o=-0.95,f=-4!) USER MOD Single : A 72 GLN :FLIP amide:sc= 1.18 F(o=0,f=1.2) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -78:sc= 1.14 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.118 -10.811 -12.651 1.00 0.00 N ATOM 2 CA MET A 1 -12.912 -9.959 -12.829 1.00 0.00 C ATOM 3 C MET A 1 -11.707 -10.553 -12.109 1.00 0.00 C ATOM 4 O MET A 1 -10.917 -9.832 -11.499 1.00 0.00 O ATOM 5 CB MET A 1 -13.217 -8.562 -12.285 1.00 0.00 C ATOM 6 CG MET A 1 -12.499 -7.449 -13.028 1.00 0.00 C ATOM 7 SD MET A 1 -12.029 -6.083 -11.948 1.00 0.00 S ATOM 8 CE MET A 1 -10.955 -5.147 -13.034 1.00 0.00 C ATOM 0 H1 MET A 1 -14.950 -10.319 -13.034 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.985 -11.711 -13.156 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.263 -11.000 -11.639 1.00 0.00 H new ATOM 0 HA MET A 1 -12.666 -9.904 -13.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.292 -8.388 -12.337 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.939 -8.523 -11.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.606 -7.853 -13.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.143 -7.073 -13.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.583 -4.268 -12.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.114 -5.770 -13.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.513 -4.833 -13.916 1.00 0.00 H new ATOM 20 N ALA A 2 -11.570 -11.874 -12.185 1.00 0.00 N ATOM 21 CA ALA A 2 -10.460 -12.565 -11.541 1.00 0.00 C ATOM 22 C ALA A 2 -10.479 -12.348 -10.031 1.00 0.00 C ATOM 23 O ALA A 2 -11.452 -11.833 -9.481 1.00 0.00 O ATOM 24 CB ALA A 2 -9.136 -12.097 -12.126 1.00 0.00 C ATOM 0 H ALA A 2 -12.214 -12.486 -12.686 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.571 -13.633 -11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.316 -12.621 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.115 -12.310 -13.195 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.027 -11.024 -11.967 1.00 0.00 H new ATOM 30 N LEU A 3 -9.399 -12.746 -9.368 1.00 0.00 N ATOM 31 CA LEU A 3 -9.292 -12.595 -7.920 1.00 0.00 C ATOM 32 C LEU A 3 -10.399 -13.368 -7.211 1.00 0.00 C ATOM 33 O LEU A 3 -11.560 -12.959 -7.220 1.00 0.00 O ATOM 34 CB LEU A 3 -9.359 -11.115 -7.535 1.00 0.00 C ATOM 35 CG LEU A 3 -8.033 -10.359 -7.639 1.00 0.00 C ATOM 36 CD1 LEU A 3 -8.281 -8.879 -7.886 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.207 -10.560 -6.378 1.00 0.00 C ATOM 0 H LEU A 3 -8.585 -13.175 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.331 -13.002 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.092 -10.622 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.725 -11.038 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.473 -10.758 -8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.327 -8.357 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.834 -8.753 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.861 -8.465 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.267 -10.016 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.761 -10.187 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.000 -11.622 -6.244 1.00 0.00 H new ATOM 49 N LEU A 4 -10.030 -14.487 -6.595 1.00 0.00 N ATOM 50 CA LEU A 4 -10.992 -15.317 -5.879 1.00 0.00 C ATOM 51 C LEU A 4 -11.554 -14.579 -4.667 1.00 0.00 C ATOM 52 O LEU A 4 -11.290 -13.392 -4.474 1.00 0.00 O ATOM 53 CB LEU A 4 -10.335 -16.627 -5.436 1.00 0.00 C ATOM 54 CG LEU A 4 -11.208 -17.873 -5.593 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.014 -18.491 -6.969 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.889 -18.886 -4.503 1.00 0.00 C ATOM 0 H LEU A 4 -9.073 -14.839 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.816 -15.542 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.419 -16.769 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.045 -16.535 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.252 -17.577 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.643 -19.376 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.291 -17.767 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.969 -18.773 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.519 -19.767 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.841 -19.177 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.079 -18.441 -3.526 1.00 0.00 H new ATOM 68 N LYS A 5 -12.331 -15.289 -3.855 1.00 0.00 N ATOM 69 CA LYS A 5 -12.929 -14.701 -2.663 1.00 0.00 C ATOM 70 C LYS A 5 -11.871 -14.431 -1.598 1.00 0.00 C ATOM 71 O LYS A 5 -11.785 -13.327 -1.061 1.00 0.00 O ATOM 72 CB LYS A 5 -14.011 -15.626 -2.101 1.00 0.00 C ATOM 73 CG LYS A 5 -15.099 -14.894 -1.333 1.00 0.00 C ATOM 74 CD LYS A 5 -16.290 -14.577 -2.220 1.00 0.00 C ATOM 75 CE LYS A 5 -16.042 -13.338 -3.066 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.592 -13.685 -4.442 1.00 0.00 N ATOM 0 H LYS A 5 -12.561 -16.272 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.383 -13.751 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.467 -16.179 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.544 -16.359 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.424 -15.504 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.695 -13.969 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.497 -15.427 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.175 -14.425 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.957 -12.748 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.289 -12.715 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.059 -12.888 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.982 -14.526 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.420 -13.884 -5.038 1.00 0.00 H new ATOM 90 N ALA A 6 -11.068 -15.447 -1.297 1.00 0.00 N ATOM 91 CA ALA A 6 -10.017 -15.319 -0.296 1.00 0.00 C ATOM 92 C ALA A 6 -8.871 -14.453 -0.812 1.00 0.00 C ATOM 93 O ALA A 6 -8.197 -13.774 -0.037 1.00 0.00 O ATOM 94 CB ALA A 6 -9.501 -16.692 0.106 1.00 0.00 C ATOM 0 H ALA A 6 -11.126 -16.368 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.442 -14.831 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.716 -16.581 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.319 -17.280 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.098 -17.200 -0.770 1.00 0.00 H new ATOM 100 N ASN A 7 -8.658 -14.483 -2.123 1.00 0.00 N ATOM 101 CA ASN A 7 -7.593 -13.700 -2.742 1.00 0.00 C ATOM 102 C ASN A 7 -7.964 -12.221 -2.791 1.00 0.00 C ATOM 103 O ASN A 7 -7.144 -11.355 -2.486 1.00 0.00 O ATOM 104 CB ASN A 7 -7.310 -14.214 -4.155 1.00 0.00 C ATOM 105 CG ASN A 7 -6.259 -15.307 -4.174 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.394 -15.337 -5.050 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.329 -16.213 -3.205 1.00 0.00 N ATOM 0 H ASN A 7 -9.207 -15.040 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.694 -13.811 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.233 -14.594 -4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.979 -13.385 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.649 -16.972 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.063 -16.149 -2.499 1.00 0.00 H new ATOM 114 N LYS A 8 -9.205 -11.939 -3.176 1.00 0.00 N ATOM 115 CA LYS A 8 -9.684 -10.565 -3.265 1.00 0.00 C ATOM 116 C LYS A 8 -9.955 -9.992 -1.879 1.00 0.00 C ATOM 117 O LYS A 8 -9.594 -8.852 -1.586 1.00 0.00 O ATOM 118 CB LYS A 8 -10.956 -10.501 -4.112 1.00 0.00 C ATOM 119 CG LYS A 8 -11.206 -9.136 -4.733 1.00 0.00 C ATOM 120 CD LYS A 8 -12.692 -8.822 -4.810 1.00 0.00 C ATOM 121 CE LYS A 8 -12.944 -7.492 -5.501 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.383 -7.110 -5.460 1.00 0.00 N ATOM 0 H LYS A 8 -9.897 -12.644 -3.431 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.907 -9.966 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.892 -11.246 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.810 -10.770 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.701 -8.370 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.774 -9.106 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.206 -9.617 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.112 -8.797 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.348 -6.715 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.614 -7.553 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.514 -6.197 -5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.949 -7.839 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.692 -7.027 -4.470 1.00 0.00 H new ATOM 136 N ASP A 9 -10.591 -10.791 -1.027 1.00 0.00 N ATOM 137 CA ASP A 9 -10.910 -10.364 0.330 1.00 0.00 C ATOM 138 C ASP A 9 -9.644 -10.010 1.105 1.00 0.00 C ATOM 139 O ASP A 9 -9.673 -9.179 2.013 1.00 0.00 O ATOM 140 CB ASP A 9 -11.679 -11.463 1.064 1.00 0.00 C ATOM 141 CG ASP A 9 -13.114 -11.581 0.588 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.701 -10.545 0.209 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.651 -12.709 0.594 1.00 0.00 O ATOM 0 H ASP A 9 -10.895 -11.738 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.534 -9.472 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.171 -12.417 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.670 -11.256 2.134 1.00 0.00 H new ATOM 148 N LEU A 10 -8.534 -10.645 0.740 1.00 0.00 N ATOM 149 CA LEU A 10 -7.261 -10.396 1.400 1.00 0.00 C ATOM 150 C LEU A 10 -6.747 -8.996 1.080 1.00 0.00 C ATOM 151 O LEU A 10 -6.316 -8.263 1.970 1.00 0.00 O ATOM 152 CB LEU A 10 -6.236 -11.447 0.968 1.00 0.00 C ATOM 153 CG LEU A 10 -5.873 -12.473 2.042 1.00 0.00 C ATOM 154 CD1 LEU A 10 -5.311 -13.735 1.406 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.876 -11.881 3.028 1.00 0.00 C ATOM 0 H LEU A 10 -8.493 -11.336 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.412 -10.464 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.625 -11.976 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.326 -10.937 0.651 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.779 -12.738 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.058 -14.454 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.056 -14.169 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.415 -13.488 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.628 -12.624 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.970 -11.588 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.315 -11.006 3.508 1.00 0.00 H new ATOM 167 N ILE A 11 -6.795 -8.633 -0.198 1.00 0.00 N ATOM 168 CA ILE A 11 -6.336 -7.320 -0.635 1.00 0.00 C ATOM 169 C ILE A 11 -7.286 -6.223 -0.170 1.00 0.00 C ATOM 170 O ILE A 11 -6.860 -5.114 0.151 1.00 0.00 O ATOM 171 CB ILE A 11 -6.202 -7.253 -2.170 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.391 -8.443 -2.686 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.554 -5.941 -2.588 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.219 -8.452 -4.190 1.00 0.00 C ATOM 0 H ILE A 11 -7.147 -9.229 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.356 -7.162 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.198 -7.300 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.408 -8.433 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.881 -9.367 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.466 -5.908 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.169 -5.107 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.562 -5.866 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.634 -9.324 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.198 -8.494 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.701 -7.545 -4.502 1.00 0.00 H new ATOM 186 N SER A 12 -8.577 -6.539 -0.136 1.00 0.00 N ATOM 187 CA SER A 12 -9.588 -5.579 0.290 1.00 0.00 C ATOM 188 C SER A 12 -9.314 -5.093 1.709 1.00 0.00 C ATOM 189 O SER A 12 -9.370 -3.895 1.988 1.00 0.00 O ATOM 190 CB SER A 12 -10.981 -6.206 0.213 1.00 0.00 C ATOM 191 OG SER A 12 -11.242 -7.014 1.348 1.00 0.00 O ATOM 0 H SER A 12 -8.947 -7.453 -0.398 1.00 0.00 H new ATOM 0 HA SER A 12 -9.545 -4.722 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.733 -5.420 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.062 -6.808 -0.692 1.00 0.00 H new ATOM 0 HG SER A 12 -10.528 -7.677 1.449 1.00 0.00 H new ATOM 197 N ALA A 13 -9.013 -6.030 2.603 1.00 0.00 N ATOM 198 CA ALA A 13 -8.726 -5.693 3.992 1.00 0.00 C ATOM 199 C ALA A 13 -7.524 -4.760 4.087 1.00 0.00 C ATOM 200 O ALA A 13 -7.540 -3.783 4.835 1.00 0.00 O ATOM 201 CB ALA A 13 -8.482 -6.957 4.803 1.00 0.00 C ATOM 0 H ALA A 13 -8.962 -7.026 2.390 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.592 -5.175 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.269 -6.690 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.369 -7.589 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.633 -7.499 4.386 1.00 0.00 H new ATOM 207 N GLY A 14 -6.484 -5.068 3.319 1.00 0.00 N ATOM 208 CA GLY A 14 -5.288 -4.248 3.326 1.00 0.00 C ATOM 209 C GLY A 14 -5.522 -2.880 2.717 1.00 0.00 C ATOM 210 O GLY A 14 -4.931 -1.891 3.149 1.00 0.00 O ATOM 0 H GLY A 14 -6.449 -5.872 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.937 -4.131 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.498 -4.758 2.775 1.00 0.00 H new ATOM 214 N LEU A 15 -6.387 -2.824 1.707 1.00 0.00 N ATOM 215 CA LEU A 15 -6.698 -1.568 1.034 1.00 0.00 C ATOM 216 C LEU A 15 -7.208 -0.527 2.027 1.00 0.00 C ATOM 217 O LEU A 15 -6.785 0.629 2.002 1.00 0.00 O ATOM 218 CB LEU A 15 -7.738 -1.800 -0.065 1.00 0.00 C ATOM 219 CG LEU A 15 -7.328 -1.317 -1.457 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.400 -1.659 -2.480 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.061 0.181 -1.442 1.00 0.00 C ATOM 0 H LEU A 15 -6.884 -3.634 1.338 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.781 -1.189 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.957 -2.866 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.663 -1.298 0.219 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.409 -1.829 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.090 -1.307 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.543 -2.739 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.337 -1.176 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.770 0.509 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.964 0.709 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.257 0.400 -0.740 1.00 0.00 H new ATOM 233 N LYS A 16 -8.120 -0.944 2.899 1.00 0.00 N ATOM 234 CA LYS A 16 -8.687 -0.046 3.899 1.00 0.00 C ATOM 235 C LYS A 16 -7.647 0.324 4.952 1.00 0.00 C ATOM 236 O LYS A 16 -7.679 1.420 5.512 1.00 0.00 O ATOM 237 CB LYS A 16 -9.900 -0.694 4.569 1.00 0.00 C ATOM 238 CG LYS A 16 -9.577 -1.997 5.284 1.00 0.00 C ATOM 239 CD LYS A 16 -10.635 -2.340 6.321 1.00 0.00 C ATOM 240 CE LYS A 16 -10.187 -1.955 7.721 1.00 0.00 C ATOM 241 NZ LYS A 16 -9.126 -2.864 8.235 1.00 0.00 N ATOM 0 H LYS A 16 -8.482 -1.897 2.934 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.004 0.865 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.327 0.008 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.664 -0.883 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.504 -2.805 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.604 -1.916 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.564 -1.823 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.847 -3.409 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.815 -0.930 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.043 -1.979 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.027 -2.736 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.386 -3.850 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.223 -2.641 7.770 1.00 0.00 H new ATOM 255 N GLU A 17 -6.726 -0.596 5.217 1.00 0.00 N ATOM 256 CA GLU A 17 -5.676 -0.365 6.203 1.00 0.00 C ATOM 257 C GLU A 17 -4.823 0.839 5.815 1.00 0.00 C ATOM 258 O GLU A 17 -4.405 1.617 6.672 1.00 0.00 O ATOM 259 CB GLU A 17 -4.794 -1.607 6.342 1.00 0.00 C ATOM 260 CG GLU A 17 -5.339 -2.634 7.321 1.00 0.00 C ATOM 261 CD GLU A 17 -4.248 -3.299 8.135 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.235 -2.630 8.430 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.405 -4.490 8.479 1.00 0.00 O ATOM 0 H GLU A 17 -6.685 -1.509 4.763 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.151 -0.158 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.682 -2.074 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.799 -1.301 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.046 -2.149 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.893 -3.395 6.772 1.00 0.00 H new ATOM 270 N PHE A 18 -4.567 0.983 4.520 1.00 0.00 N ATOM 271 CA PHE A 18 -3.764 2.093 4.018 1.00 0.00 C ATOM 272 C PHE A 18 -4.544 3.402 4.084 1.00 0.00 C ATOM 273 O PHE A 18 -3.975 4.462 4.346 1.00 0.00 O ATOM 274 CB PHE A 18 -3.323 1.820 2.580 1.00 0.00 C ATOM 275 CG PHE A 18 -2.030 2.491 2.211 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.829 2.046 2.739 1.00 0.00 C ATOM 277 CD2 PHE A 18 -2.017 3.567 1.338 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.362 2.662 2.402 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.829 4.185 0.997 1.00 0.00 C ATOM 280 CZ PHE A 18 0.362 3.733 1.530 1.00 0.00 C ATOM 0 H PHE A 18 -4.903 0.346 3.798 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.881 2.186 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.218 0.744 2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.105 2.156 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.823 1.209 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.945 3.927 0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.292 2.306 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.832 5.021 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.291 4.216 1.266 1.00 0.00 H new ATOM 290 N SER A 19 -5.848 3.321 3.843 1.00 0.00 N ATOM 291 CA SER A 19 -6.706 4.500 3.873 1.00 0.00 C ATOM 292 C SER A 19 -6.771 5.093 5.278 1.00 0.00 C ATOM 293 O SER A 19 -6.558 6.291 5.466 1.00 0.00 O ATOM 294 CB SER A 19 -8.114 4.144 3.392 1.00 0.00 C ATOM 295 OG SER A 19 -8.701 5.225 2.686 1.00 0.00 O ATOM 0 H SER A 19 -6.334 2.451 3.625 1.00 0.00 H new ATOM 0 HA SER A 19 -6.278 5.246 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.070 3.266 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.738 3.882 4.246 1.00 0.00 H new ATOM 0 HG SER A 19 -9.599 4.972 2.388 1.00 0.00 H new ATOM 301 N VAL A 20 -7.068 4.248 6.259 1.00 0.00 N ATOM 302 CA VAL A 20 -7.161 4.690 7.645 1.00 0.00 C ATOM 303 C VAL A 20 -5.813 5.190 8.150 1.00 0.00 C ATOM 304 O VAL A 20 -5.722 6.245 8.779 1.00 0.00 O ATOM 305 CB VAL A 20 -7.665 3.557 8.563 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.616 2.466 8.721 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.077 4.112 9.918 1.00 0.00 C ATOM 0 H VAL A 20 -7.248 3.254 6.120 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.879 5.509 7.673 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.540 3.108 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.001 1.682 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.382 2.042 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.713 2.891 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.430 3.299 10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.221 4.594 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.876 4.841 9.785 1.00 0.00 H new ATOM 317 N LEU A 21 -4.769 4.422 7.868 1.00 0.00 N ATOM 318 CA LEU A 21 -3.418 4.779 8.289 1.00 0.00 C ATOM 319 C LEU A 21 -3.015 6.141 7.734 1.00 0.00 C ATOM 320 O LEU A 21 -2.326 6.915 8.399 1.00 0.00 O ATOM 321 CB LEU A 21 -2.421 3.713 7.829 1.00 0.00 C ATOM 322 CG LEU A 21 -1.003 3.870 8.385 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.877 3.168 9.728 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.017 3.324 7.398 1.00 0.00 C ATOM 0 H LEU A 21 -4.831 3.546 7.349 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.407 4.834 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.801 2.733 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.372 3.729 6.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.805 4.931 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.137 3.290 10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.584 3.604 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.094 2.107 9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.020 3.443 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.179 2.267 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.058 3.870 6.458 1.00 0.00 H new ATOM 336 N LEU A 22 -3.453 6.429 6.513 1.00 0.00 N ATOM 337 CA LEU A 22 -3.139 7.699 5.867 1.00 0.00 C ATOM 338 C LEU A 22 -3.948 8.836 6.484 1.00 0.00 C ATOM 339 O LEU A 22 -3.488 9.977 6.542 1.00 0.00 O ATOM 340 CB LEU A 22 -3.417 7.615 4.365 1.00 0.00 C ATOM 341 CG LEU A 22 -2.310 6.961 3.536 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.876 6.395 2.244 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.205 7.964 3.243 1.00 0.00 C ATOM 0 H LEU A 22 -4.026 5.800 5.951 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.080 7.905 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.341 7.057 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.587 8.623 3.986 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.885 6.139 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.075 5.934 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.634 5.646 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.326 7.199 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.425 7.484 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.616 8.806 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.781 8.323 4.181 1.00 0.00 H new ATOM 355 N ASN A 23 -5.154 8.517 6.942 1.00 0.00 N ATOM 356 CA ASN A 23 -6.027 9.512 7.554 1.00 0.00 C ATOM 357 C ASN A 23 -5.364 10.148 8.772 1.00 0.00 C ATOM 358 O ASN A 23 -5.660 11.289 9.126 1.00 0.00 O ATOM 359 CB ASN A 23 -7.356 8.872 7.959 1.00 0.00 C ATOM 360 CG ASN A 23 -8.402 8.970 6.865 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.254 9.986 6.950 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 -8.444 8.143 5.954 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.549 7.577 6.901 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.215 10.294 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.191 7.824 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.730 9.357 8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.770 7.378 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.153 8.223 5.225 1.00 0.00 H new ATOM 369 N GLN A 24 -4.468 9.404 9.411 1.00 0.00 N ATOM 370 CA GLN A 24 -3.765 9.897 10.590 1.00 0.00 C ATOM 371 C GLN A 24 -2.927 11.126 10.249 1.00 0.00 C ATOM 372 O GLN A 24 -2.713 11.997 11.093 1.00 0.00 O ATOM 373 CB GLN A 24 -2.871 8.802 11.174 1.00 0.00 C ATOM 374 CG GLN A 24 -3.566 7.942 12.216 1.00 0.00 C ATOM 375 CD GLN A 24 -4.012 6.602 11.664 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.141 6.455 11.196 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.125 5.615 11.716 1.00 0.00 N ATOM 0 H GLN A 24 -4.211 8.457 9.132 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.510 10.181 11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.517 8.163 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.992 9.263 11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.890 7.778 13.055 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.433 8.477 12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.200 5.781 12.112 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.369 4.691 11.359 1.00 0.00 H new ATOM 386 N GLN A 25 -2.455 11.191 9.008 1.00 0.00 N ATOM 387 CA GLN A 25 -1.641 12.314 8.558 1.00 0.00 C ATOM 388 C GLN A 25 -2.409 13.627 8.682 1.00 0.00 C ATOM 389 O GLN A 25 -3.600 13.692 8.377 1.00 0.00 O ATOM 390 CB GLN A 25 -1.202 12.102 7.108 1.00 0.00 C ATOM 391 CG GLN A 25 -0.123 11.044 6.948 1.00 0.00 C ATOM 392 CD GLN A 25 1.272 11.637 6.898 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.440 12.856 6.868 1.00 0.00 O ATOM 394 NE2 GLN A 25 2.281 10.773 6.889 1.00 0.00 N ATOM 0 H GLN A 25 -2.622 10.479 8.297 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.758 12.369 9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.069 11.817 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.835 13.047 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.185 10.339 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.306 10.478 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.094 9.771 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.242 11.112 6.856 1.00 0.00 H new ATOM 403 N VAL A 26 -1.719 14.670 9.133 1.00 0.00 N ATOM 404 CA VAL A 26 -2.335 15.980 9.298 1.00 0.00 C ATOM 405 C VAL A 26 -1.845 16.957 8.234 1.00 0.00 C ATOM 406 O VAL A 26 -2.580 17.848 7.810 1.00 0.00 O ATOM 407 CB VAL A 26 -2.044 16.567 10.691 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.853 17.835 10.918 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.333 15.539 11.775 1.00 0.00 C ATOM 0 H VAL A 26 -0.733 14.632 9.391 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.410 15.839 9.190 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.986 16.826 10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.633 18.234 11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.590 18.575 10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.916 17.606 10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.121 15.972 12.753 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.382 15.245 11.727 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.703 14.663 11.622 1.00 0.00 H new ATOM 419 N PHE A 27 -0.599 16.782 7.807 1.00 0.00 N ATOM 420 CA PHE A 27 -0.010 17.649 6.794 1.00 0.00 C ATOM 421 C PHE A 27 0.032 19.097 7.272 1.00 0.00 C ATOM 422 O PHE A 27 -0.918 19.854 7.075 1.00 0.00 O ATOM 423 CB PHE A 27 -0.802 17.555 5.489 1.00 0.00 C ATOM 424 CG PHE A 27 -0.856 16.165 4.918 1.00 0.00 C ATOM 425 CD1 PHE A 27 0.181 15.684 4.135 1.00 0.00 C ATOM 426 CD2 PHE A 27 -1.943 15.343 5.163 1.00 0.00 C ATOM 427 CE1 PHE A 27 0.135 14.407 3.609 1.00 0.00 C ATOM 428 CE2 PHE A 27 -1.996 14.065 4.640 1.00 0.00 C ATOM 429 CZ PHE A 27 -0.955 13.597 3.862 1.00 0.00 C ATOM 0 H PHE A 27 0.022 16.048 8.147 1.00 0.00 H new ATOM 0 HA PHE A 27 1.012 17.314 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.819 17.907 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.356 18.224 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.035 16.314 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.759 15.705 5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.950 14.043 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.849 13.434 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.993 12.599 3.452 1.00 0.00 H new ATOM 439 N ASN A 28 1.139 19.473 7.903 1.00 0.00 N ATOM 440 CA ASN A 28 1.304 20.831 8.411 1.00 0.00 C ATOM 441 C ASN A 28 2.714 21.046 8.956 1.00 0.00 C ATOM 442 O ASN A 28 3.306 22.108 8.770 1.00 0.00 O ATOM 443 CB ASN A 28 0.274 21.117 9.505 1.00 0.00 C ATOM 444 CG ASN A 28 0.322 20.099 10.626 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.854 19.000 10.460 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.234 20.458 11.777 1.00 0.00 N ATOM 0 H ASN A 28 1.934 18.858 8.075 1.00 0.00 H new ATOM 0 HA ASN A 28 1.147 21.521 7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.450 22.112 9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.724 21.124 9.067 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.231 19.813 12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.664 21.378 11.871 1.00 0.00 H new ATOM 453 N ASP A 29 3.244 20.031 9.633 1.00 0.00 N ATOM 454 CA ASP A 29 4.583 20.112 10.207 1.00 0.00 C ATOM 455 C ASP A 29 5.447 18.958 9.773 1.00 0.00 C ATOM 456 O ASP A 29 6.125 18.339 10.594 1.00 0.00 O ATOM 457 CB ASP A 29 4.508 20.175 11.734 1.00 0.00 C ATOM 458 CG ASP A 29 5.775 20.734 12.352 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.825 20.710 11.676 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.716 21.193 13.512 1.00 0.00 O ATOM 0 H ASP A 29 2.767 19.144 9.797 1.00 0.00 H new ATOM 0 HA ASP A 29 5.044 21.028 9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.660 20.793 12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.325 19.175 12.128 1.00 0.00 H new ATOM 465 N PRO A 30 5.488 18.669 8.466 1.00 0.00 N ATOM 466 CA PRO A 30 6.335 17.613 7.981 1.00 0.00 C ATOM 467 C PRO A 30 7.762 18.114 7.854 1.00 0.00 C ATOM 468 O PRO A 30 8.046 19.063 7.124 1.00 0.00 O ATOM 469 CB PRO A 30 5.744 17.305 6.609 1.00 0.00 C ATOM 470 CG PRO A 30 5.193 18.610 6.141 1.00 0.00 C ATOM 471 CD PRO A 30 4.769 19.361 7.379 1.00 0.00 C ATOM 0 HA PRO A 30 6.372 16.741 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.504 16.926 5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.965 16.545 6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.943 19.171 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.347 18.457 5.471 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.044 20.414 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.689 19.321 7.523 1.00 0.00 H new ATOM 479 N LEU A 31 8.643 17.462 8.574 1.00 0.00 N ATOM 480 CA LEU A 31 10.059 17.811 8.571 1.00 0.00 C ATOM 481 C LEU A 31 10.817 17.007 7.518 1.00 0.00 C ATOM 482 O LEU A 31 11.822 17.468 6.977 1.00 0.00 O ATOM 483 CB LEU A 31 10.669 17.567 9.953 1.00 0.00 C ATOM 484 CG LEU A 31 10.593 18.755 10.913 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.491 19.885 10.434 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.156 19.236 11.051 1.00 0.00 C ATOM 0 H LEU A 31 8.408 16.676 9.180 1.00 0.00 H new ATOM 0 HA LEU A 31 10.146 18.869 8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.164 16.716 10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.715 17.287 9.827 1.00 0.00 H new ATOM 0 HG LEU A 31 10.943 18.430 11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.425 20.722 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.522 19.535 10.385 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.171 20.209 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.120 20.082 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.780 19.544 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.537 18.427 11.439 1.00 0.00 H new ATOM 498 N VAL A 32 10.328 15.805 7.233 1.00 0.00 N ATOM 499 CA VAL A 32 10.960 14.939 6.245 1.00 0.00 C ATOM 500 C VAL A 32 10.817 15.512 4.839 1.00 0.00 C ATOM 501 O VAL A 32 9.787 16.090 4.495 1.00 0.00 O ATOM 502 CB VAL A 32 10.355 13.522 6.272 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.155 12.582 5.383 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.293 12.995 7.698 1.00 0.00 C ATOM 0 H VAL A 32 9.497 15.409 7.672 1.00 0.00 H new ATOM 0 HA VAL A 32 12.017 14.881 6.506 1.00 0.00 H new ATOM 0 HB VAL A 32 9.338 13.574 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.713 11.586 5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.142 12.952 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.184 12.533 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.863 11.993 7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.299 12.958 8.116 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.673 13.656 8.303 1.00 0.00 H new ATOM 514 N SER A 33 11.860 15.348 4.032 1.00 0.00 N ATOM 515 CA SER A 33 11.853 15.851 2.662 1.00 0.00 C ATOM 516 C SER A 33 10.991 14.969 1.763 1.00 0.00 C ATOM 517 O SER A 33 10.499 13.924 2.190 1.00 0.00 O ATOM 518 CB SER A 33 13.279 15.917 2.113 1.00 0.00 C ATOM 519 OG SER A 33 13.932 17.103 2.535 1.00 0.00 O ATOM 0 H SER A 33 12.720 14.871 4.302 1.00 0.00 H new ATOM 0 HA SER A 33 11.428 16.855 2.673 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.843 15.047 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.255 15.879 1.024 1.00 0.00 H new ATOM 0 HG SER A 33 14.842 17.122 2.173 1.00 0.00 H new ATOM 525 N GLU A 34 10.814 15.397 0.518 1.00 0.00 N ATOM 526 CA GLU A 34 10.012 14.647 -0.442 1.00 0.00 C ATOM 527 C GLU A 34 10.705 13.344 -0.830 1.00 0.00 C ATOM 528 O GLU A 34 10.049 12.344 -1.119 1.00 0.00 O ATOM 529 CB GLU A 34 9.752 15.491 -1.691 1.00 0.00 C ATOM 530 CG GLU A 34 11.021 15.989 -2.363 1.00 0.00 C ATOM 531 CD GLU A 34 11.371 17.411 -1.969 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.735 18.347 -2.497 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.280 17.587 -1.131 1.00 0.00 O ATOM 0 H GLU A 34 11.215 16.259 0.150 1.00 0.00 H new ATOM 0 HA GLU A 34 9.059 14.405 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.180 14.900 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.135 16.347 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.849 15.330 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.900 15.935 -3.445 1.00 0.00 H new ATOM 540 N GLU A 35 12.033 13.364 -0.833 1.00 0.00 N ATOM 541 CA GLU A 35 12.814 12.183 -1.184 1.00 0.00 C ATOM 542 C GLU A 35 12.624 11.078 -0.151 1.00 0.00 C ATOM 543 O GLU A 35 12.339 9.932 -0.500 1.00 0.00 O ATOM 544 CB GLU A 35 14.297 12.543 -1.296 1.00 0.00 C ATOM 545 CG GLU A 35 15.038 11.744 -2.356 1.00 0.00 C ATOM 546 CD GLU A 35 16.524 12.042 -2.378 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.891 13.222 -2.556 1.00 0.00 O ATOM 548 OE2 GLU A 35 17.322 11.095 -2.217 1.00 0.00 O ATOM 0 H GLU A 35 12.591 14.184 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 35 12.461 11.818 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.388 13.605 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.776 12.381 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.887 10.680 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.613 11.964 -3.335 1.00 0.00 H new ATOM 555 N ASP A 36 12.782 11.429 1.120 1.00 0.00 N ATOM 556 CA ASP A 36 12.626 10.465 2.204 1.00 0.00 C ATOM 557 C ASP A 36 11.203 9.928 2.260 1.00 0.00 C ATOM 558 O ASP A 36 10.962 8.816 2.729 1.00 0.00 O ATOM 559 CB ASP A 36 13.000 11.103 3.544 1.00 0.00 C ATOM 560 CG ASP A 36 14.475 10.959 3.861 1.00 0.00 C ATOM 561 OD1 ASP A 36 14.913 9.825 4.147 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.193 11.981 3.824 1.00 0.00 O ATOM 0 H ASP A 36 13.018 12.373 1.426 1.00 0.00 H new ATOM 0 HA ASP A 36 13.299 9.630 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.737 12.161 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.414 10.642 4.339 1.00 0.00 H new ATOM 567 N MET A 37 10.269 10.728 1.778 1.00 0.00 N ATOM 568 CA MET A 37 8.861 10.349 1.764 1.00 0.00 C ATOM 569 C MET A 37 8.605 9.239 0.749 1.00 0.00 C ATOM 570 O MET A 37 7.703 8.421 0.924 1.00 0.00 O ATOM 571 CB MET A 37 7.987 11.562 1.441 1.00 0.00 C ATOM 572 CG MET A 37 6.658 11.568 2.178 1.00 0.00 C ATOM 573 SD MET A 37 6.719 12.513 3.712 1.00 0.00 S ATOM 574 CE MET A 37 7.197 14.126 3.097 1.00 0.00 C ATOM 0 H MET A 37 10.459 11.651 1.388 1.00 0.00 H new ATOM 0 HA MET A 37 8.602 9.977 2.755 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.535 12.471 1.690 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.798 11.588 0.368 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.889 11.986 1.529 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.365 10.542 2.399 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.606 14.895 3.595 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.255 14.294 3.299 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.021 14.172 2.022 1.00 0.00 H new ATOM 584 N VAL A 38 9.403 9.217 -0.313 1.00 0.00 N ATOM 585 CA VAL A 38 9.261 8.208 -1.355 1.00 0.00 C ATOM 586 C VAL A 38 9.775 6.851 -0.882 1.00 0.00 C ATOM 587 O VAL A 38 9.145 5.821 -1.120 1.00 0.00 O ATOM 588 CB VAL A 38 10.015 8.611 -2.637 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.724 7.627 -3.760 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.647 10.028 -3.051 1.00 0.00 C ATOM 0 H VAL A 38 10.155 9.887 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 38 8.197 8.133 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 38 11.085 8.584 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.265 7.928 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.044 6.629 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.654 7.618 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.189 10.294 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.575 10.085 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.913 10.721 -2.253 1.00 0.00 H new ATOM 600 N THR A 39 10.926 6.860 -0.217 1.00 0.00 N ATOM 601 CA THR A 39 11.530 5.630 0.284 1.00 0.00 C ATOM 602 C THR A 39 10.708 5.031 1.423 1.00 0.00 C ATOM 603 O THR A 39 10.431 3.831 1.435 1.00 0.00 O ATOM 604 CB THR A 39 12.959 5.896 0.758 1.00 0.00 C ATOM 605 OG1 THR A 39 13.554 4.707 1.249 1.00 0.00 O ATOM 606 CG2 THR A 39 13.043 6.937 1.855 1.00 0.00 C ATOM 0 H THR A 39 11.459 7.705 -0.013 1.00 0.00 H new ATOM 0 HA THR A 39 11.550 4.912 -0.535 1.00 0.00 H new ATOM 0 HB THR A 39 13.488 6.271 -0.118 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.468 4.897 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.084 7.077 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.637 7.881 1.492 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.468 6.603 2.719 1.00 0.00 H new ATOM 614 N VAL A 40 10.325 5.870 2.381 1.00 0.00 N ATOM 615 CA VAL A 40 9.541 5.415 3.524 1.00 0.00 C ATOM 616 C VAL A 40 8.251 4.734 3.074 1.00 0.00 C ATOM 617 O VAL A 40 7.908 3.653 3.553 1.00 0.00 O ATOM 618 CB VAL A 40 9.209 6.583 4.480 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.092 7.459 3.930 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.850 6.056 5.862 1.00 0.00 C ATOM 0 H VAL A 40 10.544 6.866 2.388 1.00 0.00 H new ATOM 0 HA VAL A 40 10.151 4.689 4.061 1.00 0.00 H new ATOM 0 HB VAL A 40 10.100 7.205 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.887 8.269 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.396 7.877 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.192 6.859 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.619 6.892 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.981 5.402 5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.692 5.496 6.268 1.00 0.00 H new ATOM 630 N VAL A 41 7.545 5.373 2.152 1.00 0.00 N ATOM 631 CA VAL A 41 6.295 4.831 1.633 1.00 0.00 C ATOM 632 C VAL A 41 6.547 3.576 0.803 1.00 0.00 C ATOM 633 O VAL A 41 5.777 2.618 0.860 1.00 0.00 O ATOM 634 CB VAL A 41 5.546 5.866 0.770 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.203 5.315 0.315 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.363 7.166 1.537 1.00 0.00 C ATOM 0 H VAL A 41 7.816 6.269 1.747 1.00 0.00 H new ATOM 0 HA VAL A 41 5.677 4.577 2.494 1.00 0.00 H new ATOM 0 HB VAL A 41 6.145 6.073 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.691 6.061 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.361 4.413 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.594 5.076 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.833 7.885 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.786 6.976 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.339 7.570 1.807 1.00 0.00 H new ATOM 646 N GLU A 42 7.633 3.589 0.035 1.00 0.00 N ATOM 647 CA GLU A 42 7.988 2.451 -0.804 1.00 0.00 C ATOM 648 C GLU A 42 8.303 1.226 0.049 1.00 0.00 C ATOM 649 O GLU A 42 7.971 0.099 -0.319 1.00 0.00 O ATOM 650 CB GLU A 42 9.190 2.796 -1.685 1.00 0.00 C ATOM 651 CG GLU A 42 8.808 3.412 -3.021 1.00 0.00 C ATOM 652 CD GLU A 42 9.674 2.914 -4.162 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.691 1.688 -4.404 1.00 0.00 O ATOM 654 OE2 GLU A 42 10.334 3.750 -4.814 1.00 0.00 O ATOM 0 H GLU A 42 8.281 4.375 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 42 7.134 2.219 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.837 3.488 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.770 1.891 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.764 3.185 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.891 4.497 -2.954 1.00 0.00 H new ATOM 661 N ASP A 43 8.944 1.456 1.189 1.00 0.00 N ATOM 662 CA ASP A 43 9.304 0.373 2.097 1.00 0.00 C ATOM 663 C ASP A 43 8.091 -0.090 2.900 1.00 0.00 C ATOM 664 O ASP A 43 8.013 -1.247 3.313 1.00 0.00 O ATOM 665 CB ASP A 43 10.416 0.822 3.045 1.00 0.00 C ATOM 666 CG ASP A 43 11.206 -0.345 3.604 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.390 -1.342 2.874 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.642 -0.262 4.772 1.00 0.00 O ATOM 0 H ASP A 43 9.225 2.383 1.507 1.00 0.00 H new ATOM 0 HA ASP A 43 9.663 -0.465 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.091 1.494 2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.981 1.390 3.867 1.00 0.00 H new ATOM 673 N TRP A 44 7.147 0.821 3.117 1.00 0.00 N ATOM 674 CA TRP A 44 5.939 0.505 3.870 1.00 0.00 C ATOM 675 C TRP A 44 5.170 -0.635 3.211 1.00 0.00 C ATOM 676 O TRP A 44 4.794 -1.606 3.868 1.00 0.00 O ATOM 677 CB TRP A 44 5.044 1.742 3.980 1.00 0.00 C ATOM 678 CG TRP A 44 5.303 2.558 5.211 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.424 2.539 5.990 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.419 3.516 5.804 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.291 3.424 7.031 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.068 4.037 6.940 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.141 3.984 5.486 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.483 5.002 7.755 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.561 4.942 6.297 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.233 5.442 7.420 1.00 0.00 C ATOM 0 H TRP A 44 7.196 1.783 2.782 1.00 0.00 H new ATOM 0 HA TRP A 44 6.236 0.189 4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.193 2.368 3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.000 1.428 3.975 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.290 1.918 5.813 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.989 3.597 7.755 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.616 3.604 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.999 5.389 8.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.574 5.311 6.061 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.754 6.190 8.034 1.00 0.00 H new ATOM 697 N MET A 45 4.938 -0.510 1.909 1.00 0.00 N ATOM 698 CA MET A 45 4.213 -1.529 1.158 1.00 0.00 C ATOM 699 C MET A 45 5.043 -2.802 1.027 1.00 0.00 C ATOM 700 O MET A 45 4.503 -3.908 1.007 1.00 0.00 O ATOM 701 CB MET A 45 3.841 -1.002 -0.229 1.00 0.00 C ATOM 702 CG MET A 45 5.006 -0.367 -0.970 1.00 0.00 C ATOM 703 SD MET A 45 4.774 -0.367 -2.758 1.00 0.00 S ATOM 704 CE MET A 45 3.378 0.745 -2.918 1.00 0.00 C ATOM 0 H MET A 45 5.242 0.288 1.351 1.00 0.00 H new ATOM 0 HA MET A 45 3.300 -1.767 1.704 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.445 -1.823 -0.827 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.042 -0.268 -0.127 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.136 0.659 -0.624 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.923 -0.904 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.565 0.236 -3.436 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.042 1.052 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.677 1.625 -3.488 1.00 0.00 H new ATOM 714 N ASN A 46 6.359 -2.637 0.935 1.00 0.00 N ATOM 715 CA ASN A 46 7.265 -3.774 0.803 1.00 0.00 C ATOM 716 C ASN A 46 7.104 -4.741 1.972 1.00 0.00 C ATOM 717 O ASN A 46 7.082 -5.957 1.786 1.00 0.00 O ATOM 718 CB ASN A 46 8.714 -3.290 0.723 1.00 0.00 C ATOM 719 CG ASN A 46 9.649 -4.351 0.174 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.427 -5.547 0.361 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.702 -3.916 -0.508 1.00 0.00 N ATOM 0 H ASN A 46 6.822 -1.728 0.949 1.00 0.00 H new ATOM 0 HA ASN A 46 7.012 -4.302 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.764 -2.404 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.050 -2.992 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.366 -4.583 -0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.847 -2.915 -0.639 1.00 0.00 H new ATOM 728 N PHE A 47 6.991 -4.191 3.178 1.00 0.00 N ATOM 729 CA PHE A 47 6.831 -5.004 4.377 1.00 0.00 C ATOM 730 C PHE A 47 5.430 -5.604 4.447 1.00 0.00 C ATOM 731 O PHE A 47 5.242 -6.708 4.956 1.00 0.00 O ATOM 732 CB PHE A 47 7.103 -4.166 5.627 1.00 0.00 C ATOM 733 CG PHE A 47 7.410 -4.988 6.846 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.672 -5.529 7.033 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.436 -5.220 7.805 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.957 -6.285 8.155 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.716 -5.975 8.927 1.00 0.00 C ATOM 738 CZ PHE A 47 7.978 -6.509 9.102 1.00 0.00 C ATOM 0 H PHE A 47 7.007 -3.186 3.349 1.00 0.00 H new ATOM 0 HA PHE A 47 7.553 -5.819 4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.940 -3.496 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.235 -3.540 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.441 -5.358 6.294 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.447 -4.806 7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.945 -6.700 8.290 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.949 -6.148 9.667 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.198 -7.101 9.978 1.00 0.00 H new ATOM 748 N TYR A 48 4.451 -4.867 3.933 1.00 0.00 N ATOM 749 CA TYR A 48 3.067 -5.324 3.939 1.00 0.00 C ATOM 750 C TYR A 48 2.902 -6.579 3.085 1.00 0.00 C ATOM 751 O TYR A 48 2.140 -7.480 3.433 1.00 0.00 O ATOM 752 CB TYR A 48 2.141 -4.220 3.424 1.00 0.00 C ATOM 753 CG TYR A 48 1.753 -3.213 4.484 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.703 -2.688 5.352 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.438 -2.786 4.615 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.352 -1.767 6.321 1.00 0.00 C ATOM 757 CE2 TYR A 48 0.079 -1.867 5.582 1.00 0.00 C ATOM 758 CZ TYR A 48 1.039 -1.360 6.432 1.00 0.00 C ATOM 759 OH TYR A 48 0.686 -0.443 7.395 1.00 0.00 O ATOM 0 H TYR A 48 4.591 -3.951 3.507 1.00 0.00 H new ATOM 0 HA TYR A 48 2.797 -5.567 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.632 -3.699 2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.237 -4.675 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.732 -3.005 5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.317 -3.179 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.102 -1.368 6.988 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.949 -1.547 5.672 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.276 -0.263 7.338 1.00 0.00 H new ATOM 769 N ILE A 49 3.620 -6.630 1.969 1.00 0.00 N ATOM 770 CA ILE A 49 3.552 -7.773 1.068 1.00 0.00 C ATOM 771 C ILE A 49 4.002 -9.053 1.767 1.00 0.00 C ATOM 772 O ILE A 49 3.274 -10.046 1.792 1.00 0.00 O ATOM 773 CB ILE A 49 4.420 -7.551 -0.188 1.00 0.00 C ATOM 774 CG1 ILE A 49 4.048 -6.227 -0.861 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.261 -8.709 -1.163 1.00 0.00 C ATOM 776 CD1 ILE A 49 5.236 -5.483 -1.430 1.00 0.00 C ATOM 0 H ILE A 49 4.256 -5.892 1.667 1.00 0.00 H new ATOM 0 HA ILE A 49 2.510 -7.876 0.766 1.00 0.00 H new ATOM 0 HB ILE A 49 5.465 -7.505 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.335 -6.424 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.544 -5.589 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.881 -8.533 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.570 -9.636 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.217 -8.789 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.897 -4.555 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.940 -5.255 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.728 -6.102 -2.180 1.00 0.00 H new ATOM 788 N ASN A 50 5.203 -9.023 2.333 1.00 0.00 N ATOM 789 CA ASN A 50 5.748 -10.182 3.031 1.00 0.00 C ATOM 790 C ASN A 50 4.899 -10.536 4.248 1.00 0.00 C ATOM 791 O ASN A 50 4.702 -11.710 4.560 1.00 0.00 O ATOM 792 CB ASN A 50 7.190 -9.913 3.463 1.00 0.00 C ATOM 793 CG ASN A 50 8.169 -10.016 2.309 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.797 -9.847 1.148 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.428 -10.296 2.625 1.00 0.00 N ATOM 0 H ASN A 50 5.818 -8.209 2.322 1.00 0.00 H new ATOM 0 HA ASN A 50 5.733 -11.027 2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.255 -8.918 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.472 -10.624 4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.132 -10.379 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.691 -10.428 3.601 1.00 0.00 H new ATOM 802 N TYR A 51 4.399 -9.512 4.932 1.00 0.00 N ATOM 803 CA TYR A 51 3.572 -9.714 6.116 1.00 0.00 C ATOM 804 C TYR A 51 2.171 -10.181 5.732 1.00 0.00 C ATOM 805 O TYR A 51 1.518 -10.901 6.488 1.00 0.00 O ATOM 806 CB TYR A 51 3.485 -8.421 6.928 1.00 0.00 C ATOM 807 CG TYR A 51 3.469 -8.644 8.424 1.00 0.00 C ATOM 808 CD1 TYR A 51 2.305 -9.034 9.075 1.00 0.00 C ATOM 809 CD2 TYR A 51 4.619 -8.467 9.185 1.00 0.00 C ATOM 810 CE1 TYR A 51 2.287 -9.239 10.441 1.00 0.00 C ATOM 811 CE2 TYR A 51 4.608 -8.671 10.552 1.00 0.00 C ATOM 812 CZ TYR A 51 3.440 -9.057 11.175 1.00 0.00 C ATOM 813 OH TYR A 51 3.426 -9.260 12.536 1.00 0.00 O ATOM 0 H TYR A 51 4.552 -8.534 4.687 1.00 0.00 H new ATOM 0 HA TYR A 51 4.038 -10.489 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.332 -7.784 6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.583 -7.881 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.400 -9.179 8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.536 -8.165 8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.374 -9.541 10.932 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.510 -8.529 11.129 1.00 0.00 H new ATOM 0 HH TYR A 51 4.319 -9.090 12.901 1.00 0.00 H new ATOM 823 N TYR A 52 1.714 -9.766 4.555 1.00 0.00 N ATOM 824 CA TYR A 52 0.389 -10.140 4.075 1.00 0.00 C ATOM 825 C TYR A 52 0.344 -11.615 3.686 1.00 0.00 C ATOM 826 O TYR A 52 -0.579 -12.336 4.063 1.00 0.00 O ATOM 827 CB TYR A 52 -0.004 -9.273 2.877 1.00 0.00 C ATOM 828 CG TYR A 52 -0.737 -8.007 3.260 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.761 -8.031 4.198 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.403 -6.788 2.683 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.432 -6.876 4.551 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.069 -5.629 3.032 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.082 -5.677 3.965 1.00 0.00 C ATOM 834 OH TYR A 52 -2.748 -4.525 4.315 1.00 0.00 O ATOM 0 H TYR A 52 2.242 -9.171 3.916 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.322 -9.976 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.895 -9.008 2.320 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.633 -9.858 2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.037 -8.968 4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.389 -6.746 1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.226 -6.912 5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.797 -4.689 2.575 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.056 -4.594 5.243 1.00 0.00 H new ATOM 844 N ARG A 53 1.346 -12.055 2.928 1.00 0.00 N ATOM 845 CA ARG A 53 1.421 -13.445 2.483 1.00 0.00 C ATOM 846 C ARG A 53 1.281 -14.411 3.656 1.00 0.00 C ATOM 847 O ARG A 53 0.827 -15.543 3.488 1.00 0.00 O ATOM 848 CB ARG A 53 2.745 -13.695 1.759 1.00 0.00 C ATOM 849 CG ARG A 53 2.626 -14.659 0.589 1.00 0.00 C ATOM 850 CD ARG A 53 3.554 -14.270 -0.550 1.00 0.00 C ATOM 851 NE ARG A 53 4.954 -14.241 -0.131 1.00 0.00 N ATOM 852 CZ ARG A 53 5.916 -13.613 -0.803 1.00 0.00 C ATOM 853 NH1 ARG A 53 5.635 -12.962 -1.925 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.162 -13.637 -0.352 1.00 0.00 N ATOM 0 H ARG A 53 2.118 -11.469 2.609 1.00 0.00 H new ATOM 0 HA ARG A 53 0.593 -13.622 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.137 -12.744 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.470 -14.089 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.862 -15.669 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.596 -14.674 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.436 -14.977 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.269 -13.289 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 53 5.209 -14.731 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.678 -12.941 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.376 -12.483 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.383 -14.136 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.900 -13.156 -0.866 1.00 0.00 H new ATOM 868 N GLN A 54 1.672 -13.959 4.844 1.00 0.00 N ATOM 869 CA GLN A 54 1.588 -14.787 6.042 1.00 0.00 C ATOM 870 C GLN A 54 0.148 -15.213 6.315 1.00 0.00 C ATOM 871 O GLN A 54 -0.097 -16.243 6.941 1.00 0.00 O ATOM 872 CB GLN A 54 2.147 -14.032 7.249 1.00 0.00 C ATOM 873 CG GLN A 54 3.659 -14.115 7.372 1.00 0.00 C ATOM 874 CD GLN A 54 4.125 -14.161 8.814 1.00 0.00 C ATOM 875 OE1 GLN A 54 4.462 -15.224 9.336 1.00 0.00 O ATOM 876 NE2 GLN A 54 4.146 -13.005 9.467 1.00 0.00 N ATOM 0 H GLN A 54 2.050 -13.025 5.002 1.00 0.00 H new ATOM 0 HA GLN A 54 2.185 -15.684 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.854 -12.985 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.695 -14.430 8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.014 -15.004 6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.108 -13.254 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.858 -12.148 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.450 -12.974 10.440 1.00 0.00 H new ATOM 885 N GLN A 55 -0.804 -14.414 5.839 1.00 0.00 N ATOM 886 CA GLN A 55 -2.219 -14.711 6.032 1.00 0.00 C ATOM 887 C GLN A 55 -2.871 -15.135 4.720 1.00 0.00 C ATOM 888 O GLN A 55 -4.077 -14.973 4.533 1.00 0.00 O ATOM 889 CB GLN A 55 -2.945 -13.494 6.606 1.00 0.00 C ATOM 890 CG GLN A 55 -2.749 -13.316 8.103 1.00 0.00 C ATOM 891 CD GLN A 55 -1.285 -13.279 8.497 1.00 0.00 C ATOM 892 OE1 GLN A 55 -0.716 -14.289 8.913 1.00 0.00 O ATOM 893 NE2 GLN A 55 -0.667 -12.110 8.371 1.00 0.00 N ATOM 0 H GLN A 55 -0.620 -13.557 5.317 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.297 -15.537 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.595 -12.598 6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.011 -13.585 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.231 -12.392 8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.243 -14.132 8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.177 -11.299 8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.318 -12.024 8.623 1.00 0.00 H new ATOM 902 N VAL A 56 -2.064 -15.678 3.813 1.00 0.00 N ATOM 903 CA VAL A 56 -2.559 -16.124 2.516 1.00 0.00 C ATOM 904 C VAL A 56 -2.386 -17.631 2.355 1.00 0.00 C ATOM 905 O VAL A 56 -1.599 -18.254 3.067 1.00 0.00 O ATOM 906 CB VAL A 56 -1.831 -15.407 1.364 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.464 -15.744 0.026 1.00 0.00 C ATOM 908 CG2 VAL A 56 -1.827 -13.904 1.593 1.00 0.00 C ATOM 0 H VAL A 56 -1.064 -15.820 3.953 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.620 -15.876 2.475 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.799 -15.757 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.931 -15.224 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.409 -16.820 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.508 -15.430 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.309 -13.412 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.854 -13.541 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.316 -13.680 2.529 1.00 0.00 H new ATOM 918 N THR A 57 -3.122 -18.209 1.410 1.00 0.00 N ATOM 919 CA THR A 57 -3.054 -19.633 1.144 1.00 0.00 C ATOM 920 C THR A 57 -3.687 -19.950 -0.202 1.00 0.00 C ATOM 921 O THR A 57 -4.668 -19.327 -0.607 1.00 0.00 O ATOM 922 CB THR A 57 -3.757 -20.430 2.242 1.00 0.00 C ATOM 923 OG1 THR A 57 -4.997 -19.834 2.580 1.00 0.00 O ATOM 924 CG2 THR A 57 -2.945 -20.554 3.513 1.00 0.00 C ATOM 0 H THR A 57 -3.777 -17.703 0.813 1.00 0.00 H new ATOM 0 HA THR A 57 -2.003 -19.920 1.125 1.00 0.00 H new ATOM 0 HB THR A 57 -3.898 -21.427 1.825 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.432 -20.360 3.283 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.506 -21.132 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.004 -21.059 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.740 -19.561 3.912 1.00 0.00 H new ATOM 932 N GLY A 58 -3.114 -20.922 -0.883 1.00 0.00 N ATOM 933 CA GLY A 58 -3.614 -21.325 -2.182 1.00 0.00 C ATOM 934 C GLY A 58 -2.547 -21.984 -3.030 1.00 0.00 C ATOM 935 O GLY A 58 -1.801 -22.837 -2.551 1.00 0.00 O ATOM 0 H GLY A 58 -2.302 -21.447 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.447 -22.015 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.003 -20.452 -2.706 1.00 0.00 H new ATOM 939 N GLU A 59 -2.476 -21.583 -4.290 1.00 0.00 N ATOM 940 CA GLU A 59 -1.492 -22.132 -5.215 1.00 0.00 C ATOM 941 C GLU A 59 -0.355 -21.139 -5.436 1.00 0.00 C ATOM 942 O GLU A 59 -0.535 -19.933 -5.272 1.00 0.00 O ATOM 943 CB GLU A 59 -2.154 -22.477 -6.551 1.00 0.00 C ATOM 944 CG GLU A 59 -3.474 -23.215 -6.403 1.00 0.00 C ATOM 945 CD GLU A 59 -3.679 -24.265 -7.477 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.144 -25.382 -7.323 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.374 -23.969 -8.472 1.00 0.00 O ATOM 0 H GLU A 59 -3.089 -20.877 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.081 -23.043 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.322 -21.558 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.469 -23.088 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.512 -23.691 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.293 -22.497 -6.441 1.00 0.00 H new ATOM 954 N PRO A 60 0.837 -21.631 -5.818 1.00 0.00 N ATOM 955 CA PRO A 60 2.001 -20.777 -6.063 1.00 0.00 C ATOM 956 C PRO A 60 1.664 -19.605 -6.979 1.00 0.00 C ATOM 957 O PRO A 60 2.042 -18.464 -6.711 1.00 0.00 O ATOM 958 CB PRO A 60 3.017 -21.716 -6.735 1.00 0.00 C ATOM 959 CG PRO A 60 2.269 -22.975 -7.040 1.00 0.00 C ATOM 960 CD PRO A 60 1.148 -23.046 -6.045 1.00 0.00 C ATOM 0 HA PRO A 60 2.376 -20.328 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.419 -21.270 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.862 -21.913 -6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.884 -22.962 -8.060 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.920 -23.845 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.290 -23.592 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.452 -23.547 -5.126 1.00 0.00 H new ATOM 968 N GLN A 61 0.947 -19.895 -8.060 1.00 0.00 N ATOM 969 CA GLN A 61 0.553 -18.866 -9.014 1.00 0.00 C ATOM 970 C GLN A 61 -0.584 -18.014 -8.458 1.00 0.00 C ATOM 971 O GLN A 61 -0.639 -16.808 -8.695 1.00 0.00 O ATOM 972 CB GLN A 61 0.131 -19.502 -10.339 1.00 0.00 C ATOM 973 CG GLN A 61 -0.905 -20.603 -10.183 1.00 0.00 C ATOM 974 CD GLN A 61 -1.551 -20.987 -11.499 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.916 -21.589 -12.365 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.823 -20.638 -11.658 1.00 0.00 N ATOM 0 H GLN A 61 0.627 -20.834 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 61 1.414 -18.220 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.270 -18.727 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.012 -19.911 -10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.432 -21.482 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.676 -20.275 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.312 -20.140 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.311 -20.868 -12.524 1.00 0.00 H new ATOM 985 N GLU A 62 -1.489 -18.647 -7.717 1.00 0.00 N ATOM 986 CA GLU A 62 -2.619 -17.938 -7.131 1.00 0.00 C ATOM 987 C GLU A 62 -2.137 -16.913 -6.112 1.00 0.00 C ATOM 988 O GLU A 62 -2.524 -15.745 -6.162 1.00 0.00 O ATOM 989 CB GLU A 62 -3.584 -18.928 -6.470 1.00 0.00 C ATOM 990 CG GLU A 62 -4.821 -19.219 -7.303 1.00 0.00 C ATOM 991 CD GLU A 62 -6.027 -19.567 -6.453 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.501 -18.685 -5.706 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.496 -20.722 -6.534 1.00 0.00 O ATOM 0 H GLU A 62 -1.461 -19.645 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.146 -17.413 -7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.057 -19.863 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.892 -18.531 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.053 -18.350 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.610 -20.044 -7.984 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.286 -17.356 -5.194 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.745 -16.478 -4.172 1.00 0.00 C ATOM 1002 C ARG A 63 0.049 -15.343 -4.809 1.00 0.00 C ATOM 1003 O ARG A 63 0.031 -14.211 -4.326 1.00 0.00 O ATOM 1004 CB ARG A 63 0.144 -17.274 -3.217 1.00 0.00 C ATOM 1005 CG ARG A 63 1.388 -17.846 -3.877 1.00 0.00 C ATOM 1006 CD ARG A 63 2.232 -18.633 -2.886 1.00 0.00 C ATOM 1007 NE ARG A 63 1.429 -19.578 -2.113 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.832 -20.135 -0.974 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.025 -19.843 -0.471 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.040 -20.984 -0.333 1.00 0.00 N ATOM 0 H ARG A 63 -0.957 -18.320 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.572 -16.046 -3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.445 -16.629 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.437 -18.090 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.097 -18.494 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.982 -17.036 -4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.012 -19.174 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.733 -17.942 -2.207 1.00 0.00 H new ATOM 0 HE ARG A 63 0.505 -19.825 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.638 -19.189 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.329 -20.273 0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.121 -21.210 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.350 -21.411 0.540 1.00 0.00 H new ATOM 1024 N ASP A 64 0.744 -15.656 -5.898 1.00 0.00 N ATOM 1025 CA ASP A 64 1.543 -14.664 -6.606 1.00 0.00 C ATOM 1026 C ASP A 64 0.650 -13.668 -7.339 1.00 0.00 C ATOM 1027 O ASP A 64 0.968 -12.483 -7.429 1.00 0.00 O ATOM 1028 CB ASP A 64 2.482 -15.350 -7.599 1.00 0.00 C ATOM 1029 CG ASP A 64 3.818 -14.644 -7.716 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.859 -13.545 -8.308 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.824 -15.190 -7.215 1.00 0.00 O ATOM 0 H ASP A 64 0.770 -16.589 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 64 2.136 -14.120 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.646 -16.381 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.006 -15.386 -8.579 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.468 -14.160 -7.864 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.407 -13.314 -8.594 1.00 0.00 C ATOM 1038 C LYS A 65 -2.164 -12.389 -7.647 1.00 0.00 C ATOM 1039 O LYS A 65 -2.456 -11.242 -7.987 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.394 -14.178 -9.382 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.636 -13.683 -10.800 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.105 -13.775 -11.180 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.873 -12.539 -10.738 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.682 -11.401 -11.678 1.00 0.00 N ATOM 0 H LYS A 65 -0.746 -15.139 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.836 -12.698 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.018 -15.200 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.344 -14.208 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.301 -12.650 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.041 -14.272 -11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.196 -13.894 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.545 -14.661 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.934 -12.777 -10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.545 -12.245 -9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.222 -10.578 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.672 -11.157 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.018 -11.672 -12.624 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.483 -12.892 -6.459 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.209 -12.108 -5.468 1.00 0.00 C ATOM 1060 C ALA A 66 -2.312 -11.049 -4.837 1.00 0.00 C ATOM 1061 O ALA A 66 -2.727 -9.907 -4.642 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.787 -13.021 -4.396 1.00 0.00 C ATOM 0 H ALA A 66 -2.250 -13.839 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.027 -11.595 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.327 -12.423 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.470 -13.735 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.978 -13.559 -3.902 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.082 -11.437 -4.516 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.128 -10.521 -3.903 1.00 0.00 C ATOM 1070 C LEU A 67 0.436 -9.544 -4.929 1.00 0.00 C ATOM 1071 O LEU A 67 0.814 -8.422 -4.589 1.00 0.00 O ATOM 1072 CB LEU A 67 1.003 -11.305 -3.242 1.00 0.00 C ATOM 1073 CG LEU A 67 1.174 -11.057 -1.742 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.269 -9.568 -1.451 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.021 -11.682 -0.968 1.00 0.00 C ATOM 0 H LEU A 67 -0.723 -12.379 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.654 -9.944 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.828 -12.369 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.938 -11.057 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 67 2.103 -11.526 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.390 -9.414 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.126 -9.148 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.359 -9.073 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.156 -11.498 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.920 -11.240 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.000 -12.756 -1.151 1.00 0.00 H new ATOM 1087 N GLN A 68 0.495 -9.976 -6.184 1.00 0.00 N ATOM 1088 CA GLN A 68 1.017 -9.138 -7.258 1.00 0.00 C ATOM 1089 C GLN A 68 0.177 -7.875 -7.425 1.00 0.00 C ATOM 1090 O GLN A 68 0.708 -6.799 -7.700 1.00 0.00 O ATOM 1091 CB GLN A 68 1.051 -9.919 -8.573 1.00 0.00 C ATOM 1092 CG GLN A 68 2.381 -10.606 -8.838 1.00 0.00 C ATOM 1093 CD GLN A 68 2.303 -11.610 -9.971 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.414 -12.463 -10.001 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.235 -11.515 -10.912 1.00 0.00 N ATOM 0 H GLN A 68 0.188 -10.902 -6.483 1.00 0.00 H new ATOM 0 HA GLN A 68 2.032 -8.843 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.260 -10.669 -8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.833 -9.238 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.133 -9.854 -9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.711 -11.112 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.953 -10.793 -10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.233 -12.164 -11.699 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.134 -8.014 -7.260 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.042 -6.881 -7.395 1.00 0.00 C ATOM 1106 C GLU A 69 -1.950 -5.961 -6.189 1.00 0.00 C ATOM 1107 O GLU A 69 -2.151 -4.751 -6.303 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.481 -7.364 -7.585 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.480 -6.237 -7.786 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.851 -6.041 -9.244 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -3.935 -5.823 -10.065 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -6.056 -6.106 -9.563 1.00 0.00 O ATOM 0 H GLU A 69 -1.591 -8.897 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.744 -6.316 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.521 -8.031 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.777 -7.949 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.381 -6.448 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.061 -5.310 -7.394 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.632 -6.533 -5.037 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.496 -5.757 -3.814 1.00 0.00 C ATOM 1121 C LEU A 70 -0.554 -4.578 -4.042 1.00 0.00 C ATOM 1122 O LEU A 70 -0.680 -3.534 -3.404 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.974 -6.636 -2.677 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.631 -6.395 -1.317 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.416 -7.589 -0.400 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -1.086 -5.126 -0.681 1.00 0.00 C ATOM 0 H LEU A 70 -1.463 -7.533 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.478 -5.376 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.116 -7.681 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.100 -6.476 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.703 -6.270 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.891 -7.399 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.855 -8.478 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.348 -7.747 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.564 -4.969 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.009 -5.222 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.294 -4.275 -1.330 1.00 0.00 H new ATOM 1138 N ARG A 71 0.392 -4.761 -4.960 1.00 0.00 N ATOM 1139 CA ARG A 71 1.361 -3.720 -5.280 1.00 0.00 C ATOM 1140 C ARG A 71 0.689 -2.548 -5.989 1.00 0.00 C ATOM 1141 O ARG A 71 0.980 -1.387 -5.704 1.00 0.00 O ATOM 1142 CB ARG A 71 2.482 -4.286 -6.153 1.00 0.00 C ATOM 1143 CG ARG A 71 3.854 -3.721 -5.824 1.00 0.00 C ATOM 1144 CD ARG A 71 4.936 -4.783 -5.938 1.00 0.00 C ATOM 1145 NE ARG A 71 6.244 -4.202 -6.233 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.624 -3.808 -7.446 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.801 -3.930 -8.480 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.832 -3.290 -7.626 1.00 0.00 N ATOM 0 H ARG A 71 0.507 -5.622 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 71 1.788 -3.358 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.508 -5.370 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.255 -4.081 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.080 -2.896 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.848 -3.313 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.991 -5.346 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.668 -5.491 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 71 6.905 -4.092 -5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.871 -4.328 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.098 -3.626 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.469 -3.194 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.124 -2.988 -8.555 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.209 -2.862 -6.917 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.921 -1.835 -7.670 1.00 0.00 C ATOM 1164 C GLN A 72 -1.732 -0.941 -6.738 1.00 0.00 C ATOM 1165 O GLN A 72 -1.745 0.281 -6.891 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.843 -2.480 -8.707 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.102 -3.277 -9.769 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.703 -3.106 -11.150 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.136 -2.195 -11.933 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -2.665 -3.785 -11.509 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.461 -3.819 -7.166 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.183 -1.219 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.546 -3.138 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.430 -1.701 -9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.058 -2.965 -9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.114 -4.333 -9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.069 -4.474 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.058 -3.659 -12.442 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.408 -1.556 -5.775 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.221 -0.814 -4.819 1.00 0.00 C ATOM 1181 C GLU A 73 -2.365 0.166 -4.022 1.00 0.00 C ATOM 1182 O GLU A 73 -2.670 1.355 -3.949 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.934 -1.777 -3.867 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.784 -2.817 -4.579 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.143 -2.281 -4.985 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.213 -1.116 -5.429 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.137 -3.027 -4.858 1.00 0.00 O ATOM 0 H GLU A 73 -2.409 -2.566 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.966 -0.248 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.190 -2.286 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.567 -1.204 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.256 -3.167 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.918 -3.680 -3.927 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.291 -0.344 -3.427 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.391 0.486 -2.634 1.00 0.00 C ATOM 1196 C LEU A 74 0.381 1.456 -3.524 1.00 0.00 C ATOM 1197 O LEU A 74 0.700 2.572 -3.111 1.00 0.00 O ATOM 1198 CB LEU A 74 0.588 -0.392 -1.851 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.036 -1.191 -0.705 1.00 0.00 C ATOM 1200 CD1 LEU A 74 0.758 -2.463 -0.449 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.110 -0.343 0.555 1.00 0.00 C ATOM 0 H LEU A 74 -1.023 -1.327 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.993 1.064 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.062 -1.088 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.377 0.242 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.050 -1.471 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.300 -3.019 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.760 -3.078 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.783 -2.205 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.556 -0.926 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.894 -0.033 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.721 0.539 0.364 1.00 0.00 H new ATOM 1213 N ASN A 75 0.679 1.024 -4.745 1.00 0.00 N ATOM 1214 CA ASN A 75 1.414 1.855 -5.691 1.00 0.00 C ATOM 1215 C ASN A 75 0.646 3.135 -6.007 1.00 0.00 C ATOM 1216 O ASN A 75 1.195 4.233 -5.929 1.00 0.00 O ATOM 1217 CB ASN A 75 1.685 1.077 -6.981 1.00 0.00 C ATOM 1218 CG ASN A 75 2.519 1.870 -7.969 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.708 2.100 -7.753 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.896 2.291 -9.064 1.00 0.00 N ATOM 0 H ASN A 75 0.423 0.104 -5.102 1.00 0.00 H new ATOM 0 HA ASN A 75 2.364 2.129 -5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.199 0.147 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.737 0.806 -7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.405 2.828 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.908 2.077 -9.203 1.00 0.00 H new ATOM 1227 N THR A 76 -0.626 2.985 -6.363 1.00 0.00 N ATOM 1228 CA THR A 76 -1.467 4.125 -6.690 1.00 0.00 C ATOM 1229 C THR A 76 -1.905 4.868 -5.438 1.00 0.00 C ATOM 1230 O THR A 76 -2.001 6.092 -5.440 1.00 0.00 O ATOM 1231 CB THR A 76 -2.698 3.691 -7.463 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.147 2.419 -7.028 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.479 3.621 -8.959 1.00 0.00 C ATOM 0 H THR A 76 -1.095 2.082 -6.432 1.00 0.00 H new ATOM 0 HA THR A 76 -0.868 4.793 -7.309 1.00 0.00 H new ATOM 0 HB THR A 76 -3.445 4.459 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.578 1.721 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.401 3.304 -9.447 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.191 4.604 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.688 2.904 -9.178 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.182 4.125 -4.370 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.619 4.736 -3.120 1.00 0.00 C ATOM 1243 C LEU A 77 -1.668 5.862 -2.738 1.00 0.00 C ATOM 1244 O LEU A 77 -2.064 6.846 -2.113 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.675 3.692 -2.003 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.981 2.899 -1.924 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.805 1.666 -1.050 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -5.104 3.776 -1.393 1.00 0.00 C ATOM 0 H LEU A 77 -2.112 3.108 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.620 5.144 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.850 2.992 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.514 4.194 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.247 2.571 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.744 1.114 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.029 1.028 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.515 1.971 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.026 3.196 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.846 4.134 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.246 4.627 -2.058 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.414 5.717 -3.149 1.00 0.00 N ATOM 1261 CA ALA A 78 0.601 6.721 -2.890 1.00 0.00 C ATOM 1262 C ALA A 78 0.371 7.968 -3.745 1.00 0.00 C ATOM 1263 O ALA A 78 0.755 9.072 -3.358 1.00 0.00 O ATOM 1264 CB ALA A 78 1.987 6.149 -3.149 1.00 0.00 C ATOM 0 H ALA A 78 -0.078 4.905 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 78 0.531 7.012 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.739 6.913 -2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.156 5.295 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.060 5.829 -4.188 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.243 7.788 -4.922 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.497 8.909 -5.828 1.00 0.00 C ATOM 1272 C ASN A 79 -1.161 10.087 -5.110 1.00 0.00 C ATOM 1273 O ASN A 79 -0.654 11.207 -5.153 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.370 8.456 -7.000 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.950 9.089 -8.312 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.408 10.176 -8.664 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.075 8.410 -9.044 1.00 0.00 N ATOM 0 H ASN A 79 -0.569 6.884 -5.264 1.00 0.00 H new ATOM 0 HA ASN A 79 0.469 9.249 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.318 7.371 -7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.410 8.709 -6.794 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.244 8.786 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.279 7.512 -8.713 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.303 9.856 -4.436 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.015 10.916 -3.714 1.00 0.00 C ATOM 1286 C PRO A 80 -2.220 11.436 -2.521 1.00 0.00 C ATOM 1287 O PRO A 80 -2.362 12.593 -2.125 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.302 10.232 -3.243 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.973 8.781 -3.212 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.991 8.558 -4.327 1.00 0.00 C ATOM 0 HA PRO A 80 -3.190 11.788 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.603 10.590 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.129 10.435 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.544 8.498 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.868 8.174 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.295 7.752 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.492 8.289 -5.257 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.384 10.574 -1.952 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.567 10.946 -0.804 1.00 0.00 C ATOM 1300 C PHE A 81 0.571 11.871 -1.223 1.00 0.00 C ATOM 1301 O PHE A 81 0.776 12.929 -0.627 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.001 9.695 -0.129 1.00 0.00 C ATOM 1303 CG PHE A 81 0.740 9.984 1.146 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.086 10.543 2.232 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.091 9.695 1.258 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.765 10.809 3.406 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.775 9.960 2.429 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.111 10.517 3.504 1.00 0.00 C ATOM 0 H PHE A 81 -1.255 9.613 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.201 11.478 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.818 9.005 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.670 9.190 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.967 10.774 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.615 9.258 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.244 11.245 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.828 9.732 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.644 10.724 4.420 1.00 0.00 H new ATOM 1318 N LEU A 82 1.309 11.465 -2.251 1.00 0.00 N ATOM 1319 CA LEU A 82 2.427 12.257 -2.750 1.00 0.00 C ATOM 1320 C LEU A 82 1.930 13.510 -3.465 1.00 0.00 C ATOM 1321 O LEU A 82 2.553 14.569 -3.388 1.00 0.00 O ATOM 1322 CB LEU A 82 3.288 11.422 -3.699 1.00 0.00 C ATOM 1323 CG LEU A 82 4.294 10.494 -3.013 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.529 9.249 -3.853 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.604 11.224 -2.760 1.00 0.00 C ATOM 0 H LEU A 82 1.153 10.592 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 82 3.032 12.563 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.631 10.820 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.831 12.096 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 82 3.881 10.186 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.247 8.601 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.588 8.715 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.921 9.537 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.308 10.550 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.022 11.560 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.422 12.086 -2.118 1.00 0.00 H new ATOM 1337 N ALA A 83 0.806 13.381 -4.160 1.00 0.00 N ATOM 1338 CA ALA A 83 0.226 14.502 -4.890 1.00 0.00 C ATOM 1339 C ALA A 83 -0.146 15.638 -3.942 1.00 0.00 C ATOM 1340 O ALA A 83 0.046 16.812 -4.260 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.996 14.046 -5.674 1.00 0.00 C ATOM 0 H ALA A 83 0.278 12.511 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 83 0.974 14.875 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.419 14.893 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.705 13.272 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.741 13.646 -4.986 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.680 15.281 -2.779 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.079 16.272 -1.786 1.00 0.00 C ATOM 1349 C LYS A 84 0.143 16.925 -1.148 1.00 0.00 C ATOM 1350 O LYS A 84 0.178 18.140 -0.950 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.946 15.620 -0.706 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.431 15.638 -1.028 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.271 15.807 0.229 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.719 16.122 -0.108 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.575 14.903 -0.078 1.00 0.00 N ATOM 0 H LYS A 84 -0.846 14.314 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.659 17.044 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.625 14.588 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.781 16.135 0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.644 16.451 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.707 14.710 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.225 14.895 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.856 16.608 0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.105 16.854 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.771 16.577 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.555 15.161 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.222 14.214 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.547 14.482 0.873 1.00 0.00 H new ATOM 1369 N TYR A 85 1.143 16.111 -0.825 1.00 0.00 N ATOM 1370 CA TYR A 85 2.366 16.611 -0.209 1.00 0.00 C ATOM 1371 C TYR A 85 3.071 17.606 -1.127 1.00 0.00 C ATOM 1372 O TYR A 85 3.387 18.724 -0.720 1.00 0.00 O ATOM 1373 CB TYR A 85 3.305 15.448 0.124 1.00 0.00 C ATOM 1374 CG TYR A 85 3.420 15.167 1.605 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.547 16.203 2.521 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.399 13.864 2.088 1.00 0.00 C ATOM 1377 CE1 TYR A 85 3.652 15.950 3.875 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.502 13.602 3.441 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.629 14.648 4.330 1.00 0.00 C ATOM 1380 OH TYR A 85 3.733 14.392 5.678 1.00 0.00 O ATOM 0 H TYR A 85 1.130 15.103 -0.980 1.00 0.00 H new ATOM 0 HA TYR A 85 2.096 17.126 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.950 14.550 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.296 15.667 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.564 17.224 2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.301 13.042 1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.752 16.767 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.483 12.584 3.800 1.00 0.00 H new ATOM 0 HH TYR A 85 2.946 13.891 5.978 1.00 0.00 H new ATOM 1390 N ARG A 86 3.312 17.191 -2.367 1.00 0.00 N ATOM 1391 CA ARG A 86 3.979 18.046 -3.343 1.00 0.00 C ATOM 1392 C ARG A 86 3.194 19.335 -3.565 1.00 0.00 C ATOM 1393 O ARG A 86 3.771 20.382 -3.856 1.00 0.00 O ATOM 1394 CB ARG A 86 4.149 17.304 -4.669 1.00 0.00 C ATOM 1395 CG ARG A 86 5.371 16.400 -4.708 1.00 0.00 C ATOM 1396 CD ARG A 86 5.323 15.450 -5.893 1.00 0.00 C ATOM 1397 NE ARG A 86 6.653 15.187 -6.438 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.877 14.437 -7.515 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.865 13.875 -8.165 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.118 14.248 -7.944 1.00 0.00 N ATOM 0 H ARG A 86 3.056 16.269 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 86 4.962 18.305 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.258 16.705 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.220 18.032 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.273 17.009 -4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.431 15.827 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.865 14.510 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.689 15.874 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 86 7.456 15.602 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.909 14.017 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.044 13.302 -8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.900 14.677 -7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.290 13.674 -8.769 1.00 0.00 H new ATOM 1414 N ASP A 87 1.875 19.250 -3.426 1.00 0.00 N ATOM 1415 CA ASP A 87 1.011 20.410 -3.612 1.00 0.00 C ATOM 1416 C ASP A 87 1.055 21.324 -2.392 1.00 0.00 C ATOM 1417 O ASP A 87 0.911 22.541 -2.510 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.428 19.963 -3.877 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.714 19.784 -5.355 1.00 0.00 C ATOM 1420 OD1 ASP A 87 0.198 19.348 -6.089 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.851 20.079 -5.781 1.00 0.00 O ATOM 0 H ASP A 87 1.381 18.390 -3.185 1.00 0.00 H new ATOM 0 HA ASP A 87 1.376 20.968 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.615 19.024 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.117 20.700 -3.463 1.00 0.00 H new ATOM 1426 N PHE A 88 1.253 20.729 -1.220 1.00 0.00 N ATOM 1427 CA PHE A 88 1.316 21.490 0.022 1.00 0.00 C ATOM 1428 C PHE A 88 2.654 22.209 0.154 1.00 0.00 C ATOM 1429 O PHE A 88 2.705 23.381 0.526 1.00 0.00 O ATOM 1430 CB PHE A 88 1.098 20.564 1.221 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.318 20.554 1.722 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -0.879 21.694 2.275 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.088 19.404 1.640 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.181 21.688 2.737 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -2.390 19.392 2.100 1.00 0.00 C ATOM 1436 CZ PHE A 88 -2.938 20.535 2.649 1.00 0.00 C ATOM 0 H PHE A 88 1.372 19.723 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 88 0.525 22.239 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.384 19.550 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.759 20.870 2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.292 22.598 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.665 18.507 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.607 22.583 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.979 18.490 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.956 20.528 3.009 1.00 0.00 H new ATOM 1446 N LEU A 89 3.735 21.500 -0.156 1.00 0.00 N ATOM 1447 CA LEU A 89 5.075 22.073 -0.073 1.00 0.00 C ATOM 1448 C LEU A 89 5.841 21.859 -1.374 1.00 0.00 C ATOM 1449 O LEU A 89 6.002 22.783 -2.171 1.00 0.00 O ATOM 1450 CB LEU A 89 5.851 21.463 1.099 1.00 0.00 C ATOM 1451 CG LEU A 89 5.457 20.030 1.472 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.690 19.207 1.813 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.476 20.033 2.636 1.00 0.00 C ATOM 0 H LEU A 89 3.710 20.529 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 89 4.970 23.145 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.914 21.478 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.714 22.099 1.974 1.00 0.00 H new ATOM 0 HG LEU A 89 4.968 19.573 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.389 18.193 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.357 19.177 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.209 19.661 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.207 19.007 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.939 20.509 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.579 20.585 2.355 1.00 0.00 H new ATOM 1465 N LYS A 90 6.310 20.633 -1.586 1.00 0.00 N ATOM 1466 CA LYS A 90 7.058 20.299 -2.792 1.00 0.00 C ATOM 1467 C LYS A 90 7.399 18.813 -2.828 1.00 0.00 C ATOM 1468 O LYS A 90 7.848 18.335 -3.890 1.00 0.00 O ATOM 1469 CB LYS A 90 8.341 21.129 -2.867 1.00 0.00 C ATOM 1470 CG LYS A 90 8.733 21.516 -4.284 1.00 0.00 C ATOM 1471 CD LYS A 90 10.243 21.565 -4.451 1.00 0.00 C ATOM 1472 CE LYS A 90 10.778 20.278 -5.059 1.00 0.00 C ATOM 1473 NZ LYS A 90 10.880 20.364 -6.541 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.213 18.140 -1.792 1.00 1.00 O ATOM 0 H LYS A 90 6.185 19.855 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 90 6.431 20.530 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.213 22.035 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.156 20.564 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.311 20.799 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.307 22.489 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.513 22.409 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.712 21.733 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.760 20.059 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.124 19.449 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.249 19.467 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.939 20.547 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.524 21.138 -6.800 1.00 0.00 H new TER 1488 LYS A 90