USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 106 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.38) USER MOD Set 2.1: A 74 ASN : amide:sc= -4.24! C(o=-4.6!,f=-7.3!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.384 K(o=-4.6,f=-5.2) USER MOD Set 3.1: A 60 SER OG : rot -95:sc= 1.38 USER MOD Set 3.2: A 69 THR OG1 : rot 142:sc= 0.676 USER MOD Set 4.1: A 65 ASN : amide:sc= -0.124 X(o=0.1,f=0.19) USER MOD Set 4.2: A 72 SER OG : rot 92:sc= 0.226 USER MOD Set 5.1: A 51 THR OG1 : rot 180:sc= -0.028 USER MOD Set 5.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 24 SER OG : rot -36:sc= 1.07 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= -2.25! C(o=-5.1!,f=-1.2!) USER MOD Single : A 1 LYS N :NH3+ 160:sc= -1.11 (180deg=-1.49) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -155:sc= -10.9! (180deg=-13.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.024) USER MOD Single : A 19 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 61:sc= -2.2! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -4.57! C(o=-4.6!,f=-6.2!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.0634 X(o=0.063,f=0) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.798 F(o=0,f=0.8) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 31:sc= 0.611 USER MOD Single : A 57 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.89) USER MOD Single : A 59 ASN : amide:sc= -4.41! C(o=-4.4!,f=-9.5!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 85 SER OG : rot 180:sc= 0.092 USER MOD Single : A 86 SER OG : rot -140:sc= 0 USER MOD Single : A 89 THR OG1 : rot 57:sc= 1.15 USER MOD Single : A 91 SER OG : rot -90:sc= -1.18 USER MOD Single : A 93 ASN : amide:sc= -0.967 K(o=-0.97,f=-7.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -20:sc= 0.303 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -156:sc= -1.66 (180deg=-3.94) USER MOD Single : A 113 ASN : amide:sc= -0.0779 X(o=-0.078,f=-0.023) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.695 -9.091 -0.352 1.00 0.00 N ATOM 2 CA LYS A 1 -6.471 -9.828 0.052 1.00 0.00 C ATOM 3 C LYS A 1 -5.283 -8.883 0.205 1.00 0.00 C ATOM 4 O LYS A 1 -5.221 -7.838 -0.445 1.00 0.00 O ATOM 5 CB LYS A 1 -6.168 -10.889 -1.007 1.00 0.00 C ATOM 6 CG LYS A 1 -6.302 -12.315 -0.497 1.00 0.00 C ATOM 7 CD LYS A 1 -4.966 -12.864 -0.022 1.00 0.00 C ATOM 8 CE LYS A 1 -4.253 -13.626 -1.127 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.399 -15.100 -0.970 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.377 -9.755 -0.771 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.119 -8.639 0.483 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.447 -8.362 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.642 -10.300 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.842 -10.750 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.155 -10.739 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.020 -12.344 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.697 -12.951 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.336 -12.044 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.125 -13.523 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.654 -13.323 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.195 -13.364 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.899 -15.583 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.993 -15.394 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.407 -15.354 -0.998 1.00 0.00 H new ATOM 25 N VAL A 2 -4.342 -9.257 1.067 1.00 0.00 N ATOM 26 CA VAL A 2 -3.157 -8.443 1.305 1.00 0.00 C ATOM 27 C VAL A 2 -1.897 -9.146 0.813 1.00 0.00 C ATOM 28 O VAL A 2 -1.573 -10.241 1.273 1.00 0.00 O ATOM 29 CB VAL A 2 -2.986 -8.114 2.803 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.667 -7.402 3.055 1.00 0.00 C ATOM 31 CG2 VAL A 2 -4.140 -7.265 3.303 1.00 0.00 C ATOM 0 H VAL A 2 -4.378 -10.119 1.612 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.300 -7.517 0.748 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.982 -9.055 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.570 -7.181 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.842 -8.042 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.641 -6.472 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.998 -7.045 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.176 -6.332 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.076 -7.807 3.167 1.00 0.00 H new ATOM 41 N PHE A 3 -1.172 -8.511 -0.110 1.00 0.00 N ATOM 42 CA PHE A 3 0.063 -9.090 -0.630 1.00 0.00 C ATOM 43 C PHE A 3 1.124 -9.157 0.460 1.00 0.00 C ATOM 44 O PHE A 3 0.889 -8.757 1.600 1.00 0.00 O ATOM 45 CB PHE A 3 0.614 -8.246 -1.780 1.00 0.00 C ATOM 46 CG PHE A 3 -0.170 -8.324 -3.056 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.537 -8.539 -3.046 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.469 -8.157 -4.270 1.00 0.00 C ATOM 49 CE1 PHE A 3 -2.251 -8.591 -4.225 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.236 -8.205 -5.452 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.599 -8.421 -5.432 1.00 0.00 C ATOM 0 H PHE A 3 -1.417 -7.605 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.171 -10.094 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.655 -7.205 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.639 -8.558 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.050 -8.668 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.535 -7.987 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.317 -8.764 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.277 -8.074 -6.393 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.155 -8.457 -6.357 1.00 0.00 H new ATOM 61 N GLY A 4 2.300 -9.645 0.088 1.00 0.00 N ATOM 62 CA GLY A 4 3.400 -9.735 1.026 1.00 0.00 C ATOM 63 C GLY A 4 4.444 -8.671 0.759 1.00 0.00 C ATOM 64 O GLY A 4 4.117 -7.585 0.278 1.00 0.00 O ATOM 0 H GLY A 4 2.512 -9.981 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.022 -9.629 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.858 -10.722 0.958 1.00 0.00 H new ATOM 68 N ARG A 5 5.701 -8.973 1.061 1.00 0.00 N ATOM 69 CA ARG A 5 6.784 -8.020 0.839 1.00 0.00 C ATOM 70 C ARG A 5 7.396 -8.189 -0.543 1.00 0.00 C ATOM 71 O ARG A 5 7.319 -7.285 -1.376 1.00 0.00 O ATOM 72 CB ARG A 5 7.861 -8.165 1.917 1.00 0.00 C ATOM 73 CG ARG A 5 8.110 -9.603 2.344 1.00 0.00 C ATOM 74 CD ARG A 5 9.131 -9.681 3.467 1.00 0.00 C ATOM 75 NE ARG A 5 10.080 -10.773 3.268 1.00 0.00 N ATOM 76 CZ ARG A 5 11.325 -10.763 3.735 1.00 0.00 C ATOM 77 NH1 ARG A 5 11.769 -9.722 4.425 1.00 0.00 N ATOM 78 NH2 ARG A 5 12.126 -11.796 3.513 1.00 0.00 N ATOM 0 H ARG A 5 5.996 -9.865 1.458 1.00 0.00 H new ATOM 0 HA ARG A 5 6.359 -7.018 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.793 -7.739 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.569 -7.582 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.173 -10.054 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.462 -10.182 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.672 -8.737 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.615 -9.818 4.417 1.00 0.00 H new ATOM 0 HE ARG A 5 9.770 -11.590 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.155 -8.926 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.724 -9.717 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.787 -12.599 2.984 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.081 -11.787 3.872 1.00 0.00 H new ATOM 92 N CYS A 6 8.010 -9.339 -0.788 1.00 0.00 N ATOM 93 CA CYS A 6 8.632 -9.590 -2.076 1.00 0.00 C ATOM 94 C CYS A 6 7.599 -9.971 -3.122 1.00 0.00 C ATOM 95 O CYS A 6 7.663 -9.501 -4.251 1.00 0.00 O ATOM 96 CB CYS A 6 9.685 -10.683 -1.973 1.00 0.00 C ATOM 97 SG CYS A 6 10.746 -10.558 -0.499 1.00 0.00 S ATOM 0 H CYS A 6 8.089 -10.104 -0.118 1.00 0.00 H new ATOM 0 HA CYS A 6 9.116 -8.664 -2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.187 -11.653 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.313 -10.652 -2.863 1.00 0.00 H new ATOM 102 N GLU A 7 6.642 -10.813 -2.746 1.00 0.00 N ATOM 103 CA GLU A 7 5.598 -11.223 -3.678 1.00 0.00 C ATOM 104 C GLU A 7 5.104 -10.003 -4.445 1.00 0.00 C ATOM 105 O GLU A 7 5.032 -10.002 -5.678 1.00 0.00 O ATOM 106 CB GLU A 7 4.437 -11.884 -2.932 1.00 0.00 C ATOM 107 CG GLU A 7 3.748 -12.980 -3.727 1.00 0.00 C ATOM 108 CD GLU A 7 4.431 -14.326 -3.579 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.552 -14.484 -4.107 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.846 -15.222 -2.936 1.00 0.00 O ATOM 0 H GLU A 7 6.567 -11.221 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 7 6.010 -11.952 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.809 -12.304 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.704 -11.121 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.712 -13.065 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.727 -12.701 -4.781 1.00 0.00 H new ATOM 117 N LEU A 8 4.800 -8.952 -3.695 1.00 0.00 N ATOM 118 CA LEU A 8 4.343 -7.704 -4.274 1.00 0.00 C ATOM 119 C LEU A 8 5.460 -7.045 -5.076 1.00 0.00 C ATOM 120 O LEU A 8 5.208 -6.496 -6.144 1.00 0.00 O ATOM 121 CB LEU A 8 3.851 -6.753 -3.174 1.00 0.00 C ATOM 122 CG LEU A 8 3.285 -5.406 -3.651 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.393 -4.370 -3.775 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.548 -5.554 -4.975 1.00 0.00 C ATOM 0 H LEU A 8 4.864 -8.944 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 8 3.514 -7.922 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.080 -7.264 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.680 -6.556 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 8 2.570 -5.064 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.970 -3.424 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.869 -4.228 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.135 -4.715 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.160 -4.584 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.235 -5.930 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.721 -6.254 -4.855 1.00 0.00 H new ATOM 136 N ALA A 9 6.697 -7.107 -4.563 1.00 0.00 N ATOM 137 CA ALA A 9 7.835 -6.505 -5.255 1.00 0.00 C ATOM 138 C ALA A 9 8.080 -7.169 -6.602 1.00 0.00 C ATOM 139 O ALA A 9 8.152 -6.492 -7.624 1.00 0.00 O ATOM 140 CB ALA A 9 9.084 -6.563 -4.398 1.00 0.00 C ATOM 0 H ALA A 9 6.929 -7.564 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 9 7.591 -5.458 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.916 -6.109 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.913 -6.020 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.322 -7.602 -4.172 1.00 0.00 H new ATOM 146 N ALA A 10 8.208 -8.493 -6.605 1.00 0.00 N ATOM 147 CA ALA A 10 8.431 -9.225 -7.840 1.00 0.00 C ATOM 148 C ALA A 10 7.413 -8.789 -8.881 1.00 0.00 C ATOM 149 O ALA A 10 7.739 -8.635 -10.058 1.00 0.00 O ATOM 150 CB ALA A 10 8.342 -10.723 -7.597 1.00 0.00 C ATOM 0 H ALA A 10 8.161 -9.075 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 10 9.432 -9.004 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.512 -11.254 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.098 -11.019 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.352 -10.971 -7.213 1.00 0.00 H new ATOM 156 N ALA A 11 6.179 -8.571 -8.430 1.00 0.00 N ATOM 157 CA ALA A 11 5.122 -8.128 -9.323 1.00 0.00 C ATOM 158 C ALA A 11 5.442 -6.755 -9.876 1.00 0.00 C ATOM 159 O ALA A 11 5.128 -6.433 -11.022 1.00 0.00 O ATOM 160 CB ALA A 11 3.778 -8.132 -8.613 1.00 0.00 C ATOM 0 H ALA A 11 5.893 -8.694 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 11 5.058 -8.826 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.002 -7.797 -9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.549 -9.142 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.817 -7.460 -7.756 1.00 0.00 H new ATOM 166 N MET A 12 6.085 -5.964 -9.046 1.00 0.00 N ATOM 167 CA MET A 12 6.488 -4.610 -9.426 1.00 0.00 C ATOM 168 C MET A 12 7.523 -4.659 -10.540 1.00 0.00 C ATOM 169 O MET A 12 7.397 -3.967 -11.550 1.00 0.00 O ATOM 170 CB MET A 12 7.080 -3.854 -8.237 1.00 0.00 C ATOM 171 CG MET A 12 6.343 -4.079 -6.933 1.00 0.00 C ATOM 172 SD MET A 12 4.756 -3.233 -6.884 1.00 0.00 S ATOM 173 CE MET A 12 5.263 -1.579 -7.338 1.00 0.00 C ATOM 0 H MET A 12 6.346 -6.229 -8.096 1.00 0.00 H new ATOM 0 HA MET A 12 5.595 -4.088 -9.770 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.120 -4.154 -8.111 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.081 -2.788 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.186 -5.148 -6.788 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.962 -3.732 -6.105 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.548 -0.858 -6.943 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.250 -1.375 -6.924 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.301 -1.495 -8.424 1.00 0.00 H new ATOM 183 N LYS A 13 8.548 -5.488 -10.346 1.00 0.00 N ATOM 184 CA LYS A 13 9.610 -5.638 -11.331 1.00 0.00 C ATOM 185 C LYS A 13 9.011 -5.872 -12.708 1.00 0.00 C ATOM 186 O LYS A 13 9.329 -5.165 -13.666 1.00 0.00 O ATOM 187 CB LYS A 13 10.532 -6.798 -10.954 1.00 0.00 C ATOM 188 CG LYS A 13 11.791 -6.877 -11.801 1.00 0.00 C ATOM 189 CD LYS A 13 12.864 -5.925 -11.296 1.00 0.00 C ATOM 190 CE LYS A 13 14.198 -6.633 -11.123 1.00 0.00 C ATOM 191 NZ LYS A 13 15.255 -6.048 -11.994 1.00 0.00 N ATOM 0 H LYS A 13 8.662 -6.065 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 13 10.199 -4.721 -11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.815 -6.700 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.981 -7.734 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.174 -7.897 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.549 -6.638 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.978 -5.098 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.552 -5.495 -10.344 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.510 -6.569 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.080 -7.691 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.149 -6.559 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.969 -6.132 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.386 -5.044 -11.755 1.00 0.00 H new ATOM 205 N ARG A 14 8.133 -6.863 -12.795 1.00 0.00 N ATOM 206 CA ARG A 14 7.475 -7.185 -14.050 1.00 0.00 C ATOM 207 C ARG A 14 6.638 -6.002 -14.519 1.00 0.00 C ATOM 208 O ARG A 14 6.490 -5.771 -15.719 1.00 0.00 O ATOM 209 CB ARG A 14 6.591 -8.423 -13.888 1.00 0.00 C ATOM 210 CG ARG A 14 7.115 -9.645 -14.626 1.00 0.00 C ATOM 211 CD ARG A 14 6.552 -9.728 -16.035 1.00 0.00 C ATOM 212 NE ARG A 14 7.605 -9.733 -17.046 1.00 0.00 N ATOM 213 CZ ARG A 14 7.974 -10.817 -17.723 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.375 -11.979 -17.498 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.942 -10.739 -18.627 1.00 0.00 N ATOM 0 H ARG A 14 7.862 -7.456 -12.011 1.00 0.00 H new ATOM 0 HA ARG A 14 8.238 -7.399 -14.798 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.502 -8.660 -12.828 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.588 -8.193 -14.249 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.203 -9.606 -14.670 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.850 -10.546 -14.073 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.952 -10.632 -16.133 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.886 -8.883 -16.210 1.00 0.00 H new ATOM 0 HE ARG A 14 8.085 -8.855 -17.245 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.630 -12.043 -16.805 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.660 -12.809 -18.018 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.404 -9.847 -18.804 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.224 -11.571 -19.145 1.00 0.00 H new ATOM 229 N HIS A 15 6.071 -5.268 -13.563 1.00 0.00 N ATOM 230 CA HIS A 15 5.223 -4.126 -13.877 1.00 0.00 C ATOM 231 C HIS A 15 6.042 -2.906 -14.283 1.00 0.00 C ATOM 232 O HIS A 15 5.480 -1.896 -14.708 1.00 0.00 O ATOM 233 CB HIS A 15 4.344 -3.780 -12.673 1.00 0.00 C ATOM 234 CG HIS A 15 3.026 -4.491 -12.669 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.461 -5.023 -11.529 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.156 -4.755 -13.675 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.304 -5.583 -11.833 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.096 -5.433 -13.128 1.00 0.00 N ATOM 0 H HIS A 15 6.185 -5.446 -12.565 1.00 0.00 H new ATOM 0 HA HIS A 15 4.596 -4.405 -14.724 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.883 -4.026 -11.758 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.167 -2.705 -12.660 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.275 -4.482 -14.713 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.641 -6.079 -11.140 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.279 -5.767 -13.639 1.00 0.00 H new ATOM 247 N GLY A 16 7.369 -3.007 -14.210 1.00 0.00 N ATOM 248 CA GLY A 16 8.221 -1.912 -14.635 1.00 0.00 C ATOM 249 C GLY A 16 8.271 -0.717 -13.700 1.00 0.00 C ATOM 250 O GLY A 16 8.564 0.390 -14.152 1.00 0.00 O ATOM 0 H GLY A 16 7.866 -3.828 -13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.234 -2.293 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.883 -1.571 -15.613 1.00 0.00 H new ATOM 254 N LEU A 17 7.999 -0.897 -12.406 1.00 0.00 N ATOM 255 CA LEU A 17 8.047 0.244 -11.494 1.00 0.00 C ATOM 256 C LEU A 17 9.441 0.417 -10.926 1.00 0.00 C ATOM 257 O LEU A 17 9.701 1.322 -10.135 1.00 0.00 O ATOM 258 CB LEU A 17 7.033 0.099 -10.359 1.00 0.00 C ATOM 259 CG LEU A 17 5.667 -0.473 -10.745 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.582 0.131 -9.869 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.344 -0.220 -12.212 1.00 0.00 C ATOM 0 H LEU A 17 7.752 -1.789 -11.978 1.00 0.00 H new ATOM 0 HA LEU A 17 7.786 1.132 -12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.468 -0.540 -9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.879 1.080 -9.909 1.00 0.00 H new ATOM 0 HG LEU A 17 5.705 -1.551 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.614 -0.283 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.786 -0.103 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.567 1.213 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.366 -0.641 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.332 0.853 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.102 -0.691 -12.838 1.00 0.00 H new ATOM 273 N ASP A 18 10.335 -0.450 -11.350 1.00 0.00 N ATOM 274 CA ASP A 18 11.718 -0.398 -10.897 1.00 0.00 C ATOM 275 C ASP A 18 12.448 0.778 -11.547 1.00 0.00 C ATOM 276 O ASP A 18 12.984 0.669 -12.650 1.00 0.00 O ATOM 277 CB ASP A 18 12.436 -1.719 -11.190 1.00 0.00 C ATOM 278 CG ASP A 18 13.936 -1.553 -11.341 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.593 -1.162 -10.354 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.453 -1.812 -12.448 1.00 0.00 O ATOM 0 H ASP A 18 10.134 -1.202 -12.009 1.00 0.00 H new ATOM 0 HA ASP A 18 11.722 -0.248 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.233 -2.424 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.030 -2.153 -12.103 1.00 0.00 H new ATOM 285 N ASN A 19 12.452 1.901 -10.836 1.00 0.00 N ATOM 286 CA ASN A 19 13.103 3.127 -11.294 1.00 0.00 C ATOM 287 C ASN A 19 12.462 3.653 -12.568 1.00 0.00 C ATOM 288 O ASN A 19 13.138 4.186 -13.447 1.00 0.00 O ATOM 289 CB ASN A 19 14.600 2.897 -11.510 1.00 0.00 C ATOM 290 CG ASN A 19 15.447 4.004 -10.914 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.133 4.539 -9.851 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.529 4.355 -11.600 1.00 0.00 N ATOM 0 H ASN A 19 12.004 1.988 -9.924 1.00 0.00 H new ATOM 0 HA ASN A 19 12.973 3.879 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.886 1.944 -11.065 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.803 2.823 -12.578 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.137 5.095 -11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.752 3.885 -12.477 1.00 0.00 H new ATOM 299 N TYR A 20 11.148 3.517 -12.646 1.00 0.00 N ATOM 300 CA TYR A 20 10.404 3.996 -13.802 1.00 0.00 C ATOM 301 C TYR A 20 10.448 5.512 -13.811 1.00 0.00 C ATOM 302 O TYR A 20 10.995 6.106 -12.881 1.00 0.00 O ATOM 303 CB TYR A 20 8.954 3.498 -13.734 1.00 0.00 C ATOM 304 CG TYR A 20 8.126 3.822 -14.958 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.417 3.253 -16.191 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.050 4.697 -14.877 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.660 3.547 -17.309 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.288 4.997 -15.989 1.00 0.00 C ATOM 309 CZ TYR A 20 6.597 4.420 -17.203 1.00 0.00 C ATOM 310 OH TYR A 20 5.840 4.715 -18.313 1.00 0.00 O ATOM 0 H TYR A 20 10.575 3.080 -11.925 1.00 0.00 H new ATOM 0 HA TYR A 20 10.850 3.614 -14.720 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.960 2.418 -13.589 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.473 3.934 -12.859 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.249 2.569 -16.277 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.805 5.151 -13.928 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.899 3.096 -18.261 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.455 5.680 -15.908 1.00 0.00 H new ATOM 0 HH TYR A 20 5.130 5.345 -18.067 1.00 0.00 H new ATOM 320 N ARG A 21 9.897 6.136 -14.855 1.00 0.00 N ATOM 321 CA ARG A 21 9.883 7.593 -14.961 1.00 0.00 C ATOM 322 C ARG A 21 9.766 8.220 -13.574 1.00 0.00 C ATOM 323 O ARG A 21 10.248 9.325 -13.325 1.00 0.00 O ATOM 324 CB ARG A 21 8.721 8.053 -15.844 1.00 0.00 C ATOM 325 CG ARG A 21 9.159 8.882 -17.042 1.00 0.00 C ATOM 326 CD ARG A 21 8.086 8.915 -18.118 1.00 0.00 C ATOM 327 NE ARG A 21 8.299 10.003 -19.068 1.00 0.00 N ATOM 328 CZ ARG A 21 7.542 11.096 -19.120 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.528 11.246 -18.279 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.801 12.040 -20.014 1.00 0.00 N ATOM 0 H ARG A 21 9.455 5.653 -15.638 1.00 0.00 H new ATOM 0 HA ARG A 21 10.818 7.917 -15.418 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.176 7.178 -16.198 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.027 8.639 -15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.384 9.899 -16.720 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.078 8.468 -17.456 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.078 7.964 -18.651 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.107 9.027 -17.651 1.00 0.00 H new ATOM 0 HE ARG A 21 9.071 9.921 -19.729 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.326 10.522 -17.589 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.950 12.085 -18.322 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.581 11.928 -20.662 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.221 12.878 -20.054 1.00 0.00 H new ATOM 344 N GLY A 22 9.148 7.464 -12.671 1.00 0.00 N ATOM 345 CA GLY A 22 8.996 7.896 -11.302 1.00 0.00 C ATOM 346 C GLY A 22 10.157 7.441 -10.434 1.00 0.00 C ATOM 347 O GLY A 22 11.250 8.004 -10.504 1.00 0.00 O ATOM 0 H GLY A 22 8.746 6.548 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.923 8.983 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.064 7.502 -10.898 1.00 0.00 H new ATOM 351 N TYR A 23 9.908 6.448 -9.581 1.00 0.00 N ATOM 352 CA TYR A 23 10.939 5.968 -8.667 1.00 0.00 C ATOM 353 C TYR A 23 11.245 4.483 -8.802 1.00 0.00 C ATOM 354 O TYR A 23 10.661 3.775 -9.621 1.00 0.00 O ATOM 355 CB TYR A 23 10.545 6.289 -7.228 1.00 0.00 C ATOM 356 CG TYR A 23 10.602 7.765 -6.907 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.648 8.640 -7.415 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.605 8.285 -6.100 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.693 9.989 -7.127 1.00 0.00 C ATOM 360 CE2 TYR A 23 11.656 9.635 -5.807 1.00 0.00 C ATOM 361 CZ TYR A 23 10.698 10.483 -6.323 1.00 0.00 C ATOM 362 OH TYR A 23 10.747 11.827 -6.034 1.00 0.00 O ATOM 0 H TYR A 23 9.012 5.966 -9.505 1.00 0.00 H new ATOM 0 HA TYR A 23 11.855 6.491 -8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.535 5.923 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.206 5.751 -6.549 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.859 8.258 -8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.357 7.624 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.944 10.655 -7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.442 10.024 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 23 11.516 12.009 -5.454 1.00 0.00 H new ATOM 372 N SER A 24 12.205 4.040 -7.984 1.00 0.00 N ATOM 373 CA SER A 24 12.661 2.660 -7.979 1.00 0.00 C ATOM 374 C SER A 24 11.783 1.763 -7.119 1.00 0.00 C ATOM 375 O SER A 24 11.004 2.233 -6.290 1.00 0.00 O ATOM 376 CB SER A 24 14.107 2.588 -7.487 1.00 0.00 C ATOM 377 OG SER A 24 14.188 2.856 -6.098 1.00 0.00 O ATOM 0 H SER A 24 12.684 4.635 -7.308 1.00 0.00 H new ATOM 0 HA SER A 24 12.597 2.297 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.516 1.599 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.717 3.306 -8.035 1.00 0.00 H new ATOM 0 HG SER A 24 13.523 3.534 -5.856 1.00 0.00 H new ATOM 383 N LEU A 25 11.932 0.462 -7.340 1.00 0.00 N ATOM 384 CA LEU A 25 11.186 -0.559 -6.620 1.00 0.00 C ATOM 385 C LEU A 25 11.055 -0.237 -5.132 1.00 0.00 C ATOM 386 O LEU A 25 9.946 -0.136 -4.610 1.00 0.00 O ATOM 387 CB LEU A 25 11.882 -1.905 -6.805 1.00 0.00 C ATOM 388 CG LEU A 25 11.203 -2.843 -7.793 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.220 -3.784 -8.420 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.103 -3.627 -7.100 1.00 0.00 C ATOM 0 H LEU A 25 12.581 0.084 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 25 10.176 -0.594 -7.029 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.904 -1.727 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.944 -2.402 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 25 10.755 -2.247 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.717 -4.447 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.977 -3.203 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.696 -4.377 -7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.625 -4.294 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.531 -4.214 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.362 -2.936 -6.697 1.00 0.00 H new ATOM 402 N GLY A 26 12.192 -0.100 -4.454 1.00 0.00 N ATOM 403 CA GLY A 26 12.189 0.187 -3.026 1.00 0.00 C ATOM 404 C GLY A 26 11.173 1.243 -2.621 1.00 0.00 C ATOM 405 O GLY A 26 10.575 1.154 -1.549 1.00 0.00 O ATOM 0 H GLY A 26 13.120 -0.183 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.982 -0.733 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.184 0.518 -2.728 1.00 0.00 H new ATOM 409 N ASN A 27 10.979 2.244 -3.473 1.00 0.00 N ATOM 410 CA ASN A 27 10.031 3.317 -3.186 1.00 0.00 C ATOM 411 C ASN A 27 8.591 2.812 -3.251 1.00 0.00 C ATOM 412 O ASN A 27 7.737 3.240 -2.475 1.00 0.00 O ATOM 413 CB ASN A 27 10.223 4.473 -4.168 1.00 0.00 C ATOM 414 CG ASN A 27 11.610 5.079 -4.082 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.448 4.786 -5.068 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.925 5.805 -3.138 1.00 0.00 N flip ATOM 0 H ASN A 27 11.464 2.336 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 27 10.224 3.672 -2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.047 4.117 -5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.479 5.244 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.249 6.005 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.862 6.207 -3.094 1.00 0.00 H new ATOM 423 N TRP A 28 8.333 1.900 -4.181 1.00 0.00 N ATOM 424 CA TRP A 28 7.002 1.329 -4.354 1.00 0.00 C ATOM 425 C TRP A 28 6.631 0.413 -3.202 1.00 0.00 C ATOM 426 O TRP A 28 5.510 0.459 -2.700 1.00 0.00 O ATOM 427 CB TRP A 28 6.934 0.561 -5.662 1.00 0.00 C ATOM 428 CG TRP A 28 7.134 1.447 -6.838 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.297 1.654 -7.507 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.145 2.261 -7.473 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.104 2.563 -8.514 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.785 2.946 -8.520 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.780 2.475 -7.254 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.109 3.833 -9.352 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.103 3.354 -8.077 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.767 4.025 -9.117 1.00 0.00 C ATOM 0 H TRP A 28 9.032 1.538 -4.830 1.00 0.00 H new ATOM 0 HA TRP A 28 6.287 2.152 -4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.694 -0.221 -5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.966 0.065 -5.742 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.237 1.173 -7.279 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.823 2.900 -9.155 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.265 1.962 -6.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.618 4.351 -10.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.049 3.528 -7.919 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.212 4.706 -9.746 1.00 0.00 H new ATOM 447 N VAL A 29 7.569 -0.431 -2.793 1.00 0.00 N ATOM 448 CA VAL A 29 7.329 -1.366 -1.709 1.00 0.00 C ATOM 449 C VAL A 29 7.067 -0.650 -0.396 1.00 0.00 C ATOM 450 O VAL A 29 6.099 -0.948 0.296 1.00 0.00 O ATOM 451 CB VAL A 29 8.527 -2.319 -1.536 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.293 -3.287 -0.385 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.799 -3.065 -2.834 1.00 0.00 C ATOM 0 H VAL A 29 8.504 -0.485 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 29 6.441 -1.939 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 29 9.408 -1.725 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.154 -3.948 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.157 -2.726 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.401 -3.881 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.648 -3.735 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.919 -3.646 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.025 -2.349 -3.625 1.00 0.00 H new ATOM 463 N CYS A 30 7.940 0.281 -0.050 1.00 0.00 N ATOM 464 CA CYS A 30 7.798 1.018 1.194 1.00 0.00 C ATOM 465 C CYS A 30 6.496 1.816 1.231 1.00 0.00 C ATOM 466 O CYS A 30 5.790 1.809 2.242 1.00 0.00 O ATOM 467 CB CYS A 30 8.988 1.950 1.397 1.00 0.00 C ATOM 468 SG CYS A 30 9.034 2.722 3.044 1.00 0.00 S ATOM 0 H CYS A 30 8.751 0.544 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 30 7.768 0.291 2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.909 1.389 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.960 2.732 0.639 1.00 0.00 H new ATOM 473 N ALA A 31 6.177 2.509 0.137 1.00 0.00 N ATOM 474 CA ALA A 31 4.962 3.311 0.075 1.00 0.00 C ATOM 475 C ALA A 31 3.712 2.447 0.173 1.00 0.00 C ATOM 476 O ALA A 31 2.803 2.748 0.941 1.00 0.00 O ATOM 477 CB ALA A 31 4.937 4.127 -1.208 1.00 0.00 C ATOM 0 H ALA A 31 6.742 2.529 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 31 4.966 3.986 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.024 4.722 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.803 4.789 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.966 3.456 -2.067 1.00 0.00 H new ATOM 483 N ALA A 32 3.674 1.378 -0.614 1.00 0.00 N ATOM 484 CA ALA A 32 2.530 0.474 -0.620 1.00 0.00 C ATOM 485 C ALA A 32 2.399 -0.270 0.704 1.00 0.00 C ATOM 486 O ALA A 32 1.306 -0.364 1.266 1.00 0.00 O ATOM 487 CB ALA A 32 2.645 -0.513 -1.772 1.00 0.00 C ATOM 0 H ALA A 32 4.422 1.116 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 32 1.630 1.075 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.785 -1.182 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.674 0.031 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.559 -1.096 -1.662 1.00 0.00 H new ATOM 493 N LYS A 33 3.513 -0.809 1.188 1.00 0.00 N ATOM 494 CA LYS A 33 3.535 -1.561 2.437 1.00 0.00 C ATOM 495 C LYS A 33 2.807 -0.826 3.550 1.00 0.00 C ATOM 496 O LYS A 33 1.882 -1.359 4.155 1.00 0.00 O ATOM 497 CB LYS A 33 4.978 -1.827 2.867 1.00 0.00 C ATOM 498 CG LYS A 33 5.098 -2.506 4.223 1.00 0.00 C ATOM 499 CD LYS A 33 6.527 -2.463 4.742 1.00 0.00 C ATOM 500 CE LYS A 33 7.258 -3.767 4.473 1.00 0.00 C ATOM 501 NZ LYS A 33 7.168 -4.704 5.627 1.00 0.00 N ATOM 0 H LYS A 33 4.421 -0.738 0.729 1.00 0.00 H new ATOM 0 HA LYS A 33 3.021 -2.505 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.463 -2.450 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.519 -0.881 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.436 -2.016 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.770 -3.542 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.062 -1.640 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.520 -2.263 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.838 -4.242 3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.306 -3.558 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.680 -5.581 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.592 -4.261 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.170 -4.925 5.818 1.00 0.00 H new ATOM 515 N PHE A 34 3.249 0.388 3.839 1.00 0.00 N ATOM 516 CA PHE A 34 2.646 1.167 4.909 1.00 0.00 C ATOM 517 C PHE A 34 1.320 1.787 4.505 1.00 0.00 C ATOM 518 O PHE A 34 0.490 2.092 5.361 1.00 0.00 O ATOM 519 CB PHE A 34 3.604 2.236 5.391 1.00 0.00 C ATOM 520 CG PHE A 34 4.479 1.795 6.530 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.989 1.761 7.825 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.792 1.413 6.304 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.791 1.355 8.875 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.600 1.006 7.349 1.00 0.00 C ATOM 525 CZ PHE A 34 6.098 0.977 8.635 1.00 0.00 C ATOM 0 H PHE A 34 4.016 0.852 3.353 1.00 0.00 H new ATOM 0 HA PHE A 34 2.438 0.476 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.236 2.547 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.032 3.110 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.968 2.055 8.017 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.188 1.434 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.397 1.333 9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.622 0.711 7.160 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.727 0.659 9.453 1.00 0.00 H new ATOM 535 N GLU A 35 1.118 1.988 3.213 1.00 0.00 N ATOM 536 CA GLU A 35 -0.113 2.589 2.720 1.00 0.00 C ATOM 537 C GLU A 35 -1.345 1.798 3.137 1.00 0.00 C ATOM 538 O GLU A 35 -2.262 2.332 3.762 1.00 0.00 O ATOM 539 CB GLU A 35 -0.062 2.665 1.196 1.00 0.00 C ATOM 540 CG GLU A 35 -0.191 4.074 0.647 1.00 0.00 C ATOM 541 CD GLU A 35 0.112 4.146 -0.834 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.819 3.941 -1.640 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.281 4.401 -1.191 1.00 0.00 O ATOM 0 H GLU A 35 1.790 1.744 2.486 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.192 3.585 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.879 2.236 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.862 2.050 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.202 4.440 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.488 4.735 1.186 1.00 0.00 H new ATOM 550 N SER A 36 -1.379 0.535 2.737 1.00 0.00 N ATOM 551 CA SER A 36 -2.523 -0.327 3.012 1.00 0.00 C ATOM 552 C SER A 36 -2.112 -1.611 3.718 1.00 0.00 C ATOM 553 O SER A 36 -2.899 -2.553 3.799 1.00 0.00 O ATOM 554 CB SER A 36 -3.211 -0.681 1.689 1.00 0.00 C ATOM 555 OG SER A 36 -2.266 -1.143 0.741 1.00 0.00 O ATOM 0 H SER A 36 -0.626 0.082 2.219 1.00 0.00 H new ATOM 0 HA SER A 36 -3.202 0.215 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.966 -1.448 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.729 0.194 1.297 1.00 0.00 H new ATOM 0 HG SER A 36 -1.828 -1.951 1.082 1.00 0.00 H new ATOM 561 N ASN A 37 -0.877 -1.663 4.198 1.00 0.00 N ATOM 562 CA ASN A 37 -0.385 -2.867 4.852 1.00 0.00 C ATOM 563 C ASN A 37 -0.452 -4.011 3.849 1.00 0.00 C ATOM 564 O ASN A 37 -0.572 -5.176 4.214 1.00 0.00 O ATOM 565 CB ASN A 37 -1.215 -3.196 6.096 1.00 0.00 C ATOM 566 CG ASN A 37 -0.516 -2.793 7.381 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.485 -3.395 7.771 1.00 0.00 O ATOM 568 ND2 ASN A 37 -1.040 -1.769 8.044 1.00 0.00 N ATOM 0 H ASN A 37 -0.206 -0.897 4.148 1.00 0.00 H new ATOM 0 HA ASN A 37 0.643 -2.712 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.176 -2.686 6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.422 -4.266 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.612 -1.452 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.871 -1.299 7.684 1.00 0.00 H new ATOM 575 N PHE A 38 -0.364 -3.625 2.575 1.00 0.00 N ATOM 576 CA PHE A 38 -0.402 -4.527 1.436 1.00 0.00 C ATOM 577 C PHE A 38 -1.815 -5.014 1.158 1.00 0.00 C ATOM 578 O PHE A 38 -2.012 -6.016 0.479 1.00 0.00 O ATOM 579 CB PHE A 38 0.583 -5.684 1.613 1.00 0.00 C ATOM 580 CG PHE A 38 2.002 -5.259 1.366 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.342 -4.602 0.193 1.00 0.00 C ATOM 582 CD2 PHE A 38 2.989 -5.496 2.307 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.638 -4.192 -0.038 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.290 -5.087 2.081 1.00 0.00 C ATOM 585 CZ PHE A 38 4.615 -4.435 0.907 1.00 0.00 C ATOM 0 H PHE A 38 -0.261 -2.647 2.306 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.084 -3.967 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.495 -6.083 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.322 -6.490 0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.582 -4.409 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.740 -6.005 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.889 -3.682 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.052 -5.277 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.631 -4.116 0.729 1.00 0.00 H new ATOM 595 N ASN A 39 -2.800 -4.263 1.650 1.00 0.00 N ATOM 596 CA ASN A 39 -4.201 -4.592 1.424 1.00 0.00 C ATOM 597 C ASN A 39 -4.675 -3.960 0.125 1.00 0.00 C ATOM 598 O ASN A 39 -4.827 -2.743 0.031 1.00 0.00 O ATOM 599 CB ASN A 39 -5.066 -4.114 2.590 1.00 0.00 C ATOM 600 CG ASN A 39 -6.300 -4.974 2.784 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.948 -5.378 1.818 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.631 -5.259 4.037 1.00 0.00 N ATOM 0 H ASN A 39 -2.650 -3.422 2.208 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.296 -5.675 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.474 -4.121 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.369 -3.082 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.451 -5.834 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.065 -4.903 4.807 1.00 0.00 H new ATOM 609 N THR A 40 -4.872 -4.796 -0.880 1.00 0.00 N ATOM 610 CA THR A 40 -5.289 -4.333 -2.192 1.00 0.00 C ATOM 611 C THR A 40 -6.803 -4.227 -2.279 1.00 0.00 C ATOM 612 O THR A 40 -7.344 -3.513 -3.123 1.00 0.00 O ATOM 613 CB THR A 40 -4.780 -5.288 -3.284 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.757 -6.301 -3.551 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.481 -5.941 -2.848 1.00 0.00 C ATOM 0 H THR A 40 -4.749 -5.806 -0.811 1.00 0.00 H new ATOM 0 HA THR A 40 -4.859 -3.343 -2.346 1.00 0.00 H new ATOM 0 HB THR A 40 -4.604 -4.710 -4.192 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.423 -6.902 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.132 -6.615 -3.631 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.729 -5.172 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.648 -6.506 -1.931 1.00 0.00 H new ATOM 623 N GLN A 41 -7.476 -4.954 -1.401 1.00 0.00 N ATOM 624 CA GLN A 41 -8.928 -4.966 -1.366 1.00 0.00 C ATOM 625 C GLN A 41 -9.469 -4.017 -0.299 1.00 0.00 C ATOM 626 O GLN A 41 -10.677 -3.945 -0.077 1.00 0.00 O ATOM 627 CB GLN A 41 -9.414 -6.388 -1.094 1.00 0.00 C ATOM 628 CG GLN A 41 -9.667 -7.199 -2.355 1.00 0.00 C ATOM 629 CD GLN A 41 -11.140 -7.310 -2.692 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.883 -6.332 -2.608 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.571 -8.506 -3.075 1.00 0.00 N ATOM 0 H GLN A 41 -7.035 -5.547 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.299 -4.624 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.674 -6.905 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.334 -6.343 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.141 -6.738 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.251 -8.199 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.920 -9.289 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.553 -8.642 -3.314 1.00 0.00 H new ATOM 640 N ALA A 42 -8.568 -3.302 0.370 1.00 0.00 N ATOM 641 CA ALA A 42 -8.960 -2.375 1.424 1.00 0.00 C ATOM 642 C ALA A 42 -9.318 -0.997 0.880 1.00 0.00 C ATOM 643 O ALA A 42 -8.875 -0.593 -0.198 1.00 0.00 O ATOM 644 CB ALA A 42 -7.852 -2.250 2.456 1.00 0.00 C ATOM 0 H ALA A 42 -7.563 -3.348 0.200 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.854 -2.785 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.159 -1.554 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.654 -3.227 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.947 -1.879 1.975 1.00 0.00 H new ATOM 650 N THR A 43 -10.118 -0.282 1.662 1.00 0.00 N ATOM 651 CA THR A 43 -10.555 1.065 1.318 1.00 0.00 C ATOM 652 C THR A 43 -10.153 2.041 2.421 1.00 0.00 C ATOM 653 O THR A 43 -10.193 1.695 3.602 1.00 0.00 O ATOM 654 CB THR A 43 -12.083 1.128 1.124 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.723 1.437 2.368 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.619 -0.192 0.590 1.00 0.00 C ATOM 0 H THR A 43 -10.482 -0.620 2.553 1.00 0.00 H new ATOM 0 HA THR A 43 -10.073 1.340 0.380 1.00 0.00 H new ATOM 0 HB THR A 43 -12.300 1.911 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.693 1.477 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.699 -0.121 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.153 -0.412 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.389 -0.990 1.296 1.00 0.00 H new ATOM 664 N ASN A 44 -9.765 3.257 2.044 1.00 0.00 N ATOM 665 CA ASN A 44 -9.358 4.260 3.026 1.00 0.00 C ATOM 666 C ASN A 44 -9.961 5.624 2.702 1.00 0.00 C ATOM 667 O ASN A 44 -9.436 6.365 1.871 1.00 0.00 O ATOM 668 CB ASN A 44 -7.832 4.365 3.078 1.00 0.00 C ATOM 669 CG ASN A 44 -7.272 3.972 4.431 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.620 4.773 5.101 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.522 2.733 4.838 1.00 0.00 N ATOM 0 H ASN A 44 -9.724 3.570 1.074 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.729 3.943 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.400 3.725 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.533 5.387 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.169 2.411 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.067 2.103 4.249 1.00 0.00 H new ATOM 678 N ARG A 45 -11.070 5.946 3.362 1.00 0.00 N ATOM 679 CA ARG A 45 -11.752 7.218 3.143 1.00 0.00 C ATOM 680 C ARG A 45 -10.960 8.381 3.732 1.00 0.00 C ATOM 681 O ARG A 45 -10.518 8.329 4.879 1.00 0.00 O ATOM 682 CB ARG A 45 -13.154 7.180 3.756 1.00 0.00 C ATOM 683 CG ARG A 45 -13.177 6.685 5.192 1.00 0.00 C ATOM 684 CD ARG A 45 -14.588 6.682 5.758 1.00 0.00 C ATOM 685 NE ARG A 45 -15.241 5.386 5.596 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.940 4.786 6.555 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.076 5.364 7.741 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.503 3.608 6.328 1.00 0.00 N ATOM 0 H ARG A 45 -11.516 5.343 4.053 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.833 7.372 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.585 8.180 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.790 6.536 3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.764 5.677 5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.539 7.319 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.554 6.941 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.180 7.450 5.260 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.156 4.914 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.644 6.271 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.613 4.902 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.400 3.161 5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.039 3.149 7.064 1.00 0.00 H new ATOM 702 N ASN A 46 -10.790 9.433 2.935 1.00 0.00 N ATOM 703 CA ASN A 46 -10.057 10.617 3.369 1.00 0.00 C ATOM 704 C ASN A 46 -11.006 11.788 3.600 1.00 0.00 C ATOM 705 O ASN A 46 -12.208 11.684 3.356 1.00 0.00 O ATOM 706 CB ASN A 46 -9.000 11.000 2.332 1.00 0.00 C ATOM 707 CG ASN A 46 -8.353 9.787 1.691 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.669 9.549 0.423 1.00 0.00 O flip ATOM 709 ND2 ASN A 46 -7.578 9.073 2.327 1.00 0.00 N flip ATOM 0 H ASN A 46 -11.151 9.489 1.983 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.561 10.381 4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.460 11.615 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.232 11.609 2.808 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.363 9.293 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.150 8.261 1.881 1.00 0.00 H new ATOM 716 N THR A 47 -10.456 12.899 4.076 1.00 0.00 N ATOM 717 CA THR A 47 -11.250 14.093 4.345 1.00 0.00 C ATOM 718 C THR A 47 -11.446 14.928 3.084 1.00 0.00 C ATOM 719 O THR A 47 -12.232 15.876 3.072 1.00 0.00 O ATOM 720 CB THR A 47 -10.597 14.969 5.429 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.244 15.267 5.069 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.625 14.269 6.780 1.00 0.00 C ATOM 0 H THR A 47 -9.462 12.998 4.284 1.00 0.00 H new ATOM 0 HA THR A 47 -12.221 13.748 4.700 1.00 0.00 H new ATOM 0 HB THR A 47 -11.165 15.896 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.836 15.826 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.158 14.907 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.658 14.070 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.079 13.328 6.714 1.00 0.00 H new ATOM 730 N ASP A 48 -10.727 14.574 2.023 1.00 0.00 N ATOM 731 CA ASP A 48 -10.823 15.294 0.758 1.00 0.00 C ATOM 732 C ASP A 48 -12.137 14.981 0.047 1.00 0.00 C ATOM 733 O ASP A 48 -12.535 15.684 -0.881 1.00 0.00 O ATOM 734 CB ASP A 48 -9.642 14.941 -0.147 1.00 0.00 C ATOM 735 CG ASP A 48 -9.428 13.444 -0.269 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.364 12.681 0.048 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.323 13.035 -0.683 1.00 0.00 O ATOM 0 H ASP A 48 -10.071 13.793 2.014 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.797 16.362 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.810 15.362 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.737 15.403 0.247 1.00 0.00 H new ATOM 742 N GLY A 49 -12.803 13.921 0.491 1.00 0.00 N ATOM 743 CA GLY A 49 -14.065 13.530 -0.112 1.00 0.00 C ATOM 744 C GLY A 49 -13.917 12.355 -1.059 1.00 0.00 C ATOM 745 O GLY A 49 -14.408 12.392 -2.188 1.00 0.00 O ATOM 0 H GLY A 49 -12.492 13.325 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.775 13.272 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.483 14.378 -0.653 1.00 0.00 H new ATOM 749 N SER A 50 -13.239 11.310 -0.596 1.00 0.00 N ATOM 750 CA SER A 50 -13.028 10.116 -1.406 1.00 0.00 C ATOM 751 C SER A 50 -12.512 8.960 -0.557 1.00 0.00 C ATOM 752 O SER A 50 -12.525 9.021 0.672 1.00 0.00 O ATOM 753 CB SER A 50 -12.045 10.407 -2.543 1.00 0.00 C ATOM 754 OG SER A 50 -11.122 11.416 -2.174 1.00 0.00 O ATOM 0 H SER A 50 -12.826 11.266 0.336 1.00 0.00 H new ATOM 0 HA SER A 50 -13.989 9.828 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.507 9.496 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.594 10.719 -3.431 1.00 0.00 H new ATOM 0 HG SER A 50 -10.957 11.372 -1.209 1.00 0.00 H new ATOM 760 N THR A 51 -12.065 7.903 -1.227 1.00 0.00 N ATOM 761 CA THR A 51 -11.549 6.724 -0.543 1.00 0.00 C ATOM 762 C THR A 51 -10.381 6.109 -1.308 1.00 0.00 C ATOM 763 O THR A 51 -10.172 6.403 -2.483 1.00 0.00 O ATOM 764 CB THR A 51 -12.652 5.662 -0.366 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.903 6.298 -0.079 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.304 4.693 0.754 1.00 0.00 C ATOM 0 H THR A 51 -12.050 7.839 -2.245 1.00 0.00 H new ATOM 0 HA THR A 51 -11.201 7.048 0.438 1.00 0.00 H new ATOM 0 HB THR A 51 -12.732 5.100 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.599 5.617 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.099 3.955 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.367 4.187 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.195 5.242 1.689 1.00 0.00 H new ATOM 774 N ASP A 52 -9.625 5.252 -0.630 1.00 0.00 N ATOM 775 CA ASP A 52 -8.477 4.584 -1.236 1.00 0.00 C ATOM 776 C ASP A 52 -8.767 3.107 -1.422 1.00 0.00 C ATOM 777 O ASP A 52 -8.579 2.308 -0.505 1.00 0.00 O ATOM 778 CB ASP A 52 -7.238 4.770 -0.361 1.00 0.00 C ATOM 779 CG ASP A 52 -6.866 6.230 -0.187 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.772 6.944 -1.206 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.670 6.658 0.971 1.00 0.00 O ATOM 0 H ASP A 52 -9.788 5.002 0.345 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.289 5.030 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.418 4.325 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.399 4.235 -0.806 1.00 0.00 H new ATOM 786 N TYR A 53 -9.240 2.747 -2.610 1.00 0.00 N ATOM 787 CA TYR A 53 -9.570 1.363 -2.895 1.00 0.00 C ATOM 788 C TYR A 53 -8.406 0.612 -3.531 1.00 0.00 C ATOM 789 O TYR A 53 -8.381 0.396 -4.739 1.00 0.00 O ATOM 790 CB TYR A 53 -10.793 1.274 -3.808 1.00 0.00 C ATOM 791 CG TYR A 53 -12.013 1.998 -3.283 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.892 1.371 -2.410 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.289 3.303 -3.667 1.00 0.00 C ATOM 794 CE1 TYR A 53 -14.012 2.025 -1.934 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.408 3.963 -3.197 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.266 3.320 -2.330 1.00 0.00 C ATOM 797 OH TYR A 53 -15.382 3.974 -1.860 1.00 0.00 O ATOM 0 H TYR A 53 -9.401 3.392 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.794 0.892 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.534 1.683 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -11.044 0.224 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.697 0.356 -2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.618 3.811 -4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.685 1.523 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.610 4.978 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.413 4.879 -2.235 1.00 0.00 H new ATOM 807 N GLY A 54 -7.434 0.228 -2.720 1.00 0.00 N ATOM 808 CA GLY A 54 -6.305 -0.504 -3.269 1.00 0.00 C ATOM 809 C GLY A 54 -5.078 -0.559 -2.388 1.00 0.00 C ATOM 810 O GLY A 54 -5.001 0.099 -1.350 1.00 0.00 O ATOM 0 H GLY A 54 -7.401 0.402 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.624 -1.524 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.028 -0.051 -4.221 1.00 0.00 H new ATOM 814 N ILE A 55 -4.100 -1.339 -2.848 1.00 0.00 N ATOM 815 CA ILE A 55 -2.833 -1.486 -2.153 1.00 0.00 C ATOM 816 C ILE A 55 -2.013 -0.219 -2.351 1.00 0.00 C ATOM 817 O ILE A 55 -1.081 0.067 -1.600 1.00 0.00 O ATOM 818 CB ILE A 55 -2.032 -2.699 -2.683 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.938 -3.094 -1.691 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.427 -2.378 -4.041 1.00 0.00 C ATOM 821 CD1 ILE A 55 -0.332 -4.451 -1.974 1.00 0.00 C ATOM 0 H ILE A 55 -4.168 -1.882 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.038 -1.652 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.714 -3.542 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.150 -2.341 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.354 -3.093 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.866 -3.240 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.223 -2.141 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.758 -1.523 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.437 -4.668 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.109 -5.214 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.113 -4.450 -2.969 1.00 0.00 H new ATOM 833 N LEU A 56 -2.402 0.550 -3.369 1.00 0.00 N ATOM 834 CA LEU A 56 -1.749 1.810 -3.687 1.00 0.00 C ATOM 835 C LEU A 56 -2.761 2.950 -3.586 1.00 0.00 C ATOM 836 O LEU A 56 -2.469 4.084 -3.966 1.00 0.00 O ATOM 837 CB LEU A 56 -1.125 1.777 -5.093 1.00 0.00 C ATOM 838 CG LEU A 56 0.386 2.069 -5.157 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.755 3.223 -4.236 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.181 0.824 -4.792 1.00 0.00 C ATOM 0 H LEU A 56 -3.175 0.314 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.944 1.971 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.306 0.794 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.644 2.503 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 56 0.635 2.356 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.827 3.410 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.212 4.118 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.491 2.968 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.247 1.046 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.922 0.511 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.944 0.023 -5.492 1.00 0.00 H new ATOM 852 N GLN A 57 -3.949 2.636 -3.049 1.00 0.00 N ATOM 853 CA GLN A 57 -5.018 3.619 -2.859 1.00 0.00 C ATOM 854 C GLN A 57 -5.687 4.024 -4.172 1.00 0.00 C ATOM 855 O GLN A 57 -5.449 5.125 -4.672 1.00 0.00 O ATOM 856 CB GLN A 57 -4.473 4.864 -2.152 1.00 0.00 C ATOM 857 CG GLN A 57 -3.786 4.562 -0.830 1.00 0.00 C ATOM 858 CD GLN A 57 -3.389 5.818 -0.078 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.973 6.809 -0.679 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.516 5.782 1.243 1.00 0.00 N ATOM 0 H GLN A 57 -4.192 1.696 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.778 3.142 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.766 5.366 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.294 5.559 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.452 3.965 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.898 3.958 -1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.865 4.939 1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.264 6.597 1.802 1.00 0.00 H new ATOM 869 N ILE A 58 -6.522 3.145 -4.742 1.00 0.00 N ATOM 870 CA ILE A 58 -7.186 3.468 -5.992 1.00 0.00 C ATOM 871 C ILE A 58 -8.505 4.178 -5.741 1.00 0.00 C ATOM 872 O ILE A 58 -9.559 3.549 -5.644 1.00 0.00 O ATOM 873 CB ILE A 58 -7.425 2.213 -6.852 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.115 1.442 -7.044 1.00 0.00 C ATOM 875 CG2 ILE A 58 -8.020 2.597 -8.200 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.892 2.331 -7.153 1.00 0.00 C ATOM 0 H ILE A 58 -6.745 2.226 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.522 4.136 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.134 1.567 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.981 0.757 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.191 0.833 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.183 1.698 -8.795 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.971 3.107 -8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.333 3.261 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.004 1.713 -7.287 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.002 2.998 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.789 2.921 -6.243 1.00 0.00 H new ATOM 888 N ASN A 59 -8.432 5.499 -5.636 1.00 0.00 N ATOM 889 CA ASN A 59 -9.613 6.309 -5.403 1.00 0.00 C ATOM 890 C ASN A 59 -10.615 6.096 -6.529 1.00 0.00 C ATOM 891 O ASN A 59 -10.502 6.702 -7.595 1.00 0.00 O ATOM 892 CB ASN A 59 -9.235 7.788 -5.304 1.00 0.00 C ATOM 893 CG ASN A 59 -10.432 8.675 -5.024 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.508 8.193 -4.667 1.00 0.00 O ATOM 895 ND2 ASN A 59 -10.252 9.980 -5.186 1.00 0.00 N ATOM 0 H ASN A 59 -7.564 6.030 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.068 6.006 -4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.497 7.919 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.764 8.102 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.022 10.626 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.344 10.337 -5.483 1.00 0.00 H new ATOM 902 N SER A 60 -11.587 5.225 -6.291 1.00 0.00 N ATOM 903 CA SER A 60 -12.609 4.921 -7.292 1.00 0.00 C ATOM 904 C SER A 60 -13.464 6.143 -7.626 1.00 0.00 C ATOM 905 O SER A 60 -14.384 6.060 -8.438 1.00 0.00 O ATOM 906 CB SER A 60 -13.506 3.784 -6.801 1.00 0.00 C ATOM 907 OG SER A 60 -14.562 4.279 -5.998 1.00 0.00 O ATOM 0 H SER A 60 -11.692 4.715 -5.414 1.00 0.00 H new ATOM 0 HA SER A 60 -12.092 4.616 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.916 3.245 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.913 3.070 -6.229 1.00 0.00 H new ATOM 0 HG SER A 60 -14.306 4.227 -5.053 1.00 0.00 H new ATOM 913 N ARG A 61 -13.172 7.274 -6.997 1.00 0.00 N ATOM 914 CA ARG A 61 -13.932 8.491 -7.248 1.00 0.00 C ATOM 915 C ARG A 61 -13.210 9.385 -8.252 1.00 0.00 C ATOM 916 O ARG A 61 -13.824 9.933 -9.167 1.00 0.00 O ATOM 917 CB ARG A 61 -14.162 9.253 -5.943 1.00 0.00 C ATOM 918 CG ARG A 61 -15.173 10.382 -6.066 1.00 0.00 C ATOM 919 CD ARG A 61 -14.486 11.734 -6.179 1.00 0.00 C ATOM 920 NE ARG A 61 -14.797 12.602 -5.045 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.899 13.343 -4.963 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.791 13.321 -5.943 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.108 14.105 -3.898 1.00 0.00 N ATOM 0 H ARG A 61 -12.421 7.374 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.897 8.207 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.502 8.554 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.212 9.663 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.800 10.217 -6.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.832 10.379 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.407 11.589 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.794 12.221 -7.104 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.132 12.642 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.634 12.735 -6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.635 13.890 -5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.424 14.123 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.953 14.673 -3.835 1.00 0.00 H new ATOM 937 N TRP A 62 -11.907 9.545 -8.055 1.00 0.00 N ATOM 938 CA TRP A 62 -11.103 10.396 -8.926 1.00 0.00 C ATOM 939 C TRP A 62 -10.300 9.601 -9.957 1.00 0.00 C ATOM 940 O TRP A 62 -9.622 10.192 -10.796 1.00 0.00 O ATOM 941 CB TRP A 62 -10.153 11.253 -8.088 1.00 0.00 C ATOM 942 CG TRP A 62 -10.315 12.724 -8.323 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.095 13.398 -9.489 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.733 13.704 -7.366 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.350 14.737 -9.316 1.00 0.00 N ATOM 946 CE2 TRP A 62 -10.743 14.950 -8.021 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.099 13.650 -6.017 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -11.105 16.129 -7.375 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.459 14.821 -5.377 1.00 0.00 C ATOM 950 CH2 TRP A 62 -11.459 16.046 -6.056 1.00 0.00 C ATOM 0 H TRP A 62 -11.385 9.098 -7.302 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.798 11.030 -9.476 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.320 11.041 -7.032 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.125 10.968 -8.312 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.768 12.945 -10.413 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.261 15.455 -10.035 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.100 12.710 -5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -11.106 17.075 -7.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.745 14.791 -4.336 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.744 16.944 -5.528 1.00 0.00 H new ATOM 961 N TRP A 63 -10.354 8.270 -9.899 1.00 0.00 N ATOM 962 CA TRP A 63 -9.594 7.455 -10.847 1.00 0.00 C ATOM 963 C TRP A 63 -10.463 6.435 -11.581 1.00 0.00 C ATOM 964 O TRP A 63 -10.851 6.653 -12.727 1.00 0.00 O ATOM 965 CB TRP A 63 -8.439 6.735 -10.136 1.00 0.00 C ATOM 966 CG TRP A 63 -7.354 7.663 -9.680 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.748 7.704 -8.457 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.752 8.695 -10.457 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.803 8.705 -8.434 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.791 9.329 -9.655 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.943 9.137 -11.759 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.019 10.392 -10.124 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.191 10.184 -12.227 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.235 10.808 -11.414 1.00 0.00 C ATOM 0 H TRP A 63 -10.904 7.742 -9.221 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.196 8.142 -11.594 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.832 6.195 -9.274 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.013 5.992 -10.810 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.976 7.048 -7.630 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.209 8.943 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.675 8.662 -12.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.280 10.869 -9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.338 10.533 -13.238 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.658 11.631 -11.810 1.00 0.00 H new ATOM 985 N CYS A 64 -10.727 5.309 -10.933 1.00 0.00 N ATOM 986 CA CYS A 64 -11.513 4.247 -11.558 1.00 0.00 C ATOM 987 C CYS A 64 -13.001 4.417 -11.316 1.00 0.00 C ATOM 988 O CYS A 64 -13.417 5.016 -10.331 1.00 0.00 O ATOM 989 CB CYS A 64 -11.069 2.873 -11.049 1.00 0.00 C ATOM 990 SG CYS A 64 -11.992 2.273 -9.591 1.00 0.00 S ATOM 0 H CYS A 64 -10.413 5.105 -9.984 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.334 4.316 -12.631 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.177 2.148 -11.856 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.009 2.917 -10.800 1.00 0.00 H new ATOM 995 N ASN A 65 -13.799 3.878 -12.233 1.00 0.00 N ATOM 996 CA ASN A 65 -15.252 3.964 -12.129 1.00 0.00 C ATOM 997 C ASN A 65 -15.824 2.718 -11.462 1.00 0.00 C ATOM 998 O ASN A 65 -15.966 1.672 -12.095 1.00 0.00 O ATOM 999 CB ASN A 65 -15.874 4.148 -13.514 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.336 4.540 -13.445 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.206 3.830 -13.949 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.615 5.676 -12.817 1.00 0.00 N ATOM 0 H ASN A 65 -13.464 3.377 -13.056 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.497 4.829 -11.512 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.321 4.913 -14.058 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.776 3.221 -14.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.582 5.991 -12.738 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.862 6.234 -12.414 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.151 2.841 -10.180 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.708 1.725 -9.423 1.00 0.00 C ATOM 1011 C ASP A 66 -18.233 1.780 -9.411 1.00 0.00 C ATOM 1012 O ASP A 66 -18.896 0.791 -9.100 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.170 1.733 -7.992 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.768 2.844 -7.151 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.058 3.922 -7.711 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.946 2.636 -5.933 1.00 0.00 O ATOM 0 H ASP A 66 -16.040 3.701 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.403 0.799 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.382 0.772 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.086 1.844 -8.016 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.781 2.942 -9.755 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.223 3.105 -9.782 1.00 0.00 C ATOM 1023 C GLY A 67 -20.821 3.296 -8.401 1.00 0.00 C ATOM 1024 O GLY A 67 -21.973 3.708 -8.270 1.00 0.00 O ATOM 0 H GLY A 67 -18.251 3.774 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.475 3.964 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.674 2.230 -10.250 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.038 2.996 -7.369 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.502 3.137 -5.993 1.00 0.00 C ATOM 1030 C ARG A 68 -20.160 4.517 -5.442 1.00 0.00 C ATOM 1031 O ARG A 68 -20.516 4.849 -4.311 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.881 2.053 -5.111 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.845 0.932 -4.755 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.669 0.484 -3.313 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.321 -0.797 -3.055 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.053 -1.048 -1.974 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.228 -0.109 -1.053 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.613 -2.239 -1.813 1.00 0.00 N ATOM 0 H ARG A 68 -19.081 2.654 -7.459 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.586 3.023 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.018 1.629 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.513 2.510 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.870 1.269 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.683 0.086 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.606 0.402 -3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.080 1.241 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.208 -1.541 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.800 0.809 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.790 -0.305 -0.225 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.482 -2.964 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.174 -2.431 -0.983 1.00 0.00 H new ATOM 1052 N THR A 69 -19.468 5.317 -6.247 1.00 0.00 N ATOM 1053 CA THR A 69 -19.079 6.662 -5.838 1.00 0.00 C ATOM 1054 C THR A 69 -19.529 7.700 -6.863 1.00 0.00 C ATOM 1055 O THR A 69 -19.135 7.645 -8.028 1.00 0.00 O ATOM 1056 CB THR A 69 -17.554 6.772 -5.650 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.018 5.508 -5.239 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.213 7.833 -4.615 1.00 0.00 C ATOM 0 H THR A 69 -19.165 5.057 -7.186 1.00 0.00 H new ATOM 0 HA THR A 69 -19.571 6.858 -4.885 1.00 0.00 H new ATOM 0 HB THR A 69 -17.112 7.061 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.153 5.362 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.131 7.893 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.597 8.799 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.666 7.568 -3.660 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.364 8.669 -6.441 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.864 9.721 -7.331 1.00 0.00 C ATOM 1068 C PRO A 70 -19.773 10.709 -7.729 1.00 0.00 C ATOM 1069 O PRO A 70 -18.755 10.831 -7.048 1.00 0.00 O ATOM 1070 CB PRO A 70 -21.936 10.418 -6.492 1.00 0.00 C ATOM 1071 CG PRO A 70 -21.531 10.170 -5.080 1.00 0.00 C ATOM 1072 CD PRO A 70 -20.884 8.813 -5.068 1.00 0.00 C ATOM 0 HA PRO A 70 -21.238 9.315 -8.271 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -21.978 11.485 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.926 10.011 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -20.838 10.936 -4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -22.395 10.197 -4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.086 8.755 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.601 8.028 -4.826 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.994 11.413 -8.835 1.00 0.00 N ATOM 1081 CA GLY A 71 -19.020 12.382 -9.305 1.00 0.00 C ATOM 1082 C GLY A 71 -17.731 11.732 -9.766 1.00 0.00 C ATOM 1083 O GLY A 71 -16.684 12.377 -9.807 1.00 0.00 O ATOM 0 H GLY A 71 -20.830 11.330 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.449 12.954 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.801 13.089 -8.505 1.00 0.00 H new ATOM 1087 N SER A 72 -17.809 10.451 -10.114 1.00 0.00 N ATOM 1088 CA SER A 72 -16.641 9.710 -10.574 1.00 0.00 C ATOM 1089 C SER A 72 -16.116 10.282 -11.886 1.00 0.00 C ATOM 1090 O SER A 72 -16.848 10.378 -12.872 1.00 0.00 O ATOM 1091 CB SER A 72 -16.987 8.231 -10.751 1.00 0.00 C ATOM 1092 OG SER A 72 -15.818 7.431 -10.764 1.00 0.00 O ATOM 0 H SER A 72 -18.670 9.905 -10.086 1.00 0.00 H new ATOM 0 HA SER A 72 -15.861 9.806 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.643 7.909 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.537 8.092 -11.682 1.00 0.00 H new ATOM 0 HG SER A 72 -15.620 7.126 -9.854 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.842 10.659 -11.891 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.213 11.220 -13.082 1.00 0.00 C ATOM 1100 C ARG A 73 -13.831 10.118 -14.064 1.00 0.00 C ATOM 1101 O ARG A 73 -14.024 10.258 -15.272 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.972 12.029 -12.696 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.726 13.229 -13.595 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.030 14.353 -12.845 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.980 15.226 -12.161 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.942 16.553 -12.225 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.003 17.159 -12.939 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.843 17.276 -11.575 1.00 0.00 N ATOM 0 H ARG A 73 -14.224 10.586 -11.083 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.932 11.881 -13.566 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.077 12.372 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.099 11.377 -12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.117 12.928 -14.448 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.675 13.588 -13.992 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.339 13.929 -12.117 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.436 14.941 -13.544 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.715 14.793 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.308 16.607 -13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.976 18.178 -12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.567 16.814 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.812 18.294 -11.625 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.282 9.026 -13.533 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.862 7.892 -14.353 1.00 0.00 C ATOM 1124 C ASN A 74 -11.652 8.277 -15.193 1.00 0.00 C ATOM 1125 O ASN A 74 -11.494 7.822 -16.327 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.005 7.418 -15.255 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.860 5.964 -15.659 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.225 5.174 -14.959 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.449 5.603 -16.792 1.00 0.00 N ATOM 0 H ASN A 74 -13.118 8.903 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.589 7.070 -13.691 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.954 7.555 -14.736 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.039 8.039 -16.150 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.386 4.637 -17.115 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.965 6.291 -17.340 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.789 9.100 -14.609 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.574 9.539 -15.258 1.00 0.00 C ATOM 1138 C LEU A 75 -8.766 8.354 -15.705 1.00 0.00 C ATOM 1139 O LEU A 75 -8.616 8.064 -16.891 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.763 10.323 -14.245 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.988 11.834 -14.266 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.297 12.501 -13.087 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.507 12.431 -15.579 1.00 0.00 C ATOM 0 H LEU A 75 -10.918 9.478 -13.671 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.820 10.149 -16.127 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.997 9.950 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.705 10.126 -14.419 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.059 12.018 -14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.472 13.576 -13.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.698 12.100 -12.156 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.226 12.306 -13.135 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.677 13.508 -15.573 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.442 12.232 -15.701 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.057 11.982 -16.406 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.277 7.675 -14.701 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.494 6.489 -14.866 1.00 0.00 C ATOM 1157 C CYS A 76 -8.230 5.523 -15.787 1.00 0.00 C ATOM 1158 O CYS A 76 -7.636 4.897 -16.665 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.295 5.891 -13.496 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.558 5.605 -13.037 1.00 0.00 S ATOM 0 H CYS A 76 -8.418 7.941 -13.726 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.526 6.706 -15.318 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.748 6.552 -12.757 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.831 4.943 -13.447 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.539 5.424 -15.566 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.398 4.553 -16.358 1.00 0.00 C ATOM 1167 C ASN A 77 -9.918 3.115 -16.275 1.00 0.00 C ATOM 1168 O ASN A 77 -9.746 2.444 -17.294 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.429 5.016 -17.816 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.838 5.079 -18.373 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.527 4.064 -18.466 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.274 6.276 -18.747 1.00 0.00 N ATOM 0 H ASN A 77 -10.030 5.942 -14.837 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.409 4.606 -15.953 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.967 6.000 -17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.831 4.336 -18.423 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.214 6.380 -19.129 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.669 7.092 -18.652 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.700 2.646 -15.054 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.238 1.294 -14.839 1.00 0.00 C ATOM 1181 C ILE A 78 -10.300 0.470 -14.111 1.00 0.00 C ATOM 1182 O ILE A 78 -10.740 0.838 -13.025 1.00 0.00 O ATOM 1183 CB ILE A 78 -7.904 1.285 -14.051 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.010 0.468 -12.754 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.465 2.711 -13.759 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.132 1.301 -11.492 1.00 0.00 C ATOM 0 H ILE A 78 -9.838 3.187 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.059 0.839 -15.813 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.150 0.801 -14.671 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.876 -0.190 -12.824 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.130 -0.170 -12.669 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.527 2.697 -13.205 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.324 3.248 -14.697 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.229 3.213 -13.165 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.201 0.642 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.255 1.940 -11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.027 1.920 -11.550 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.733 -0.662 -14.689 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.737 -1.512 -14.050 1.00 0.00 C ATOM 1200 C PRO A 79 -11.244 -1.973 -12.685 1.00 0.00 C ATOM 1201 O PRO A 79 -10.326 -2.783 -12.592 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.879 -2.700 -15.009 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.348 -2.211 -16.315 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.282 -1.204 -15.981 1.00 0.00 C ATOM 0 HA PRO A 79 -12.684 -1.000 -13.879 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.317 -3.563 -14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.919 -3.012 -15.099 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.938 -3.033 -16.901 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.139 -1.758 -16.912 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.299 -1.668 -15.903 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.208 -0.427 -16.741 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.836 -1.432 -11.627 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.421 -1.772 -10.273 1.00 0.00 C ATOM 1214 C CYS A 80 -11.795 -3.207 -9.895 1.00 0.00 C ATOM 1215 O CYS A 80 -10.919 -4.005 -9.570 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.009 -0.772 -9.274 1.00 0.00 C ATOM 1217 SG CYS A 80 -10.926 0.664 -8.950 1.00 0.00 S ATOM 0 H CYS A 80 -12.601 -0.759 -11.680 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.333 -1.711 -10.237 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -12.967 -0.415 -9.651 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.208 -1.286 -8.333 1.00 0.00 H new ATOM 1222 N SER A 81 -13.087 -3.526 -9.908 1.00 0.00 N ATOM 1223 CA SER A 81 -13.562 -4.862 -9.534 1.00 0.00 C ATOM 1224 C SER A 81 -12.760 -5.990 -10.187 1.00 0.00 C ATOM 1225 O SER A 81 -12.352 -6.936 -9.513 1.00 0.00 O ATOM 1226 CB SER A 81 -15.040 -5.008 -9.899 1.00 0.00 C ATOM 1227 OG SER A 81 -15.240 -4.852 -11.293 1.00 0.00 O ATOM 0 H SER A 81 -13.828 -2.878 -10.174 1.00 0.00 H new ATOM 0 HA SER A 81 -13.423 -4.954 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.400 -5.987 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.626 -4.264 -9.359 1.00 0.00 H new ATOM 0 HG SER A 81 -16.193 -4.952 -11.500 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.547 -5.899 -11.496 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.804 -6.934 -12.222 1.00 0.00 C ATOM 1235 C ALA A 82 -10.322 -6.916 -11.856 1.00 0.00 C ATOM 1236 O ALA A 82 -9.565 -7.815 -12.222 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.980 -6.752 -13.722 1.00 0.00 C ATOM 0 H ALA A 82 -12.874 -5.126 -12.076 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.208 -7.904 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.424 -7.526 -14.250 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.037 -6.827 -13.976 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.605 -5.772 -14.016 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.924 -5.873 -11.147 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.533 -5.715 -10.738 1.00 0.00 C ATOM 1245 C LEU A 83 -8.362 -5.784 -9.221 1.00 0.00 C ATOM 1246 O LEU A 83 -7.240 -5.741 -8.721 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.974 -4.401 -11.281 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.839 -4.340 -12.805 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.376 -2.962 -13.249 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -6.877 -5.411 -13.300 1.00 0.00 C ATOM 0 H LEU A 83 -10.542 -5.122 -10.841 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.971 -6.549 -11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.620 -3.586 -10.955 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.994 -4.229 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.820 -4.529 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.287 -2.941 -14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.102 -2.214 -12.930 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.407 -2.742 -12.801 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.794 -5.352 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.896 -5.254 -12.852 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.251 -6.395 -13.018 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.465 -5.895 -8.490 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.404 -5.974 -7.031 1.00 0.00 C ATOM 1264 C LEU A 84 -9.247 -7.419 -6.573 1.00 0.00 C ATOM 1265 O LEU A 84 -8.999 -7.684 -5.398 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.659 -5.363 -6.409 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.818 -3.860 -6.633 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.264 -3.439 -6.427 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.895 -3.082 -5.709 1.00 0.00 C ATOM 0 H LEU A 84 -10.408 -5.932 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.534 -5.408 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.533 -5.871 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.647 -5.557 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.540 -3.634 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.357 -2.365 -6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.902 -3.971 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.571 -3.679 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.022 -2.014 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.140 -3.312 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.860 -3.361 -5.909 1.00 0.00 H new ATOM 1281 N SER A 85 -9.434 -8.342 -7.510 1.00 0.00 N ATOM 1282 CA SER A 85 -9.350 -9.777 -7.223 1.00 0.00 C ATOM 1283 C SER A 85 -7.918 -10.235 -6.932 1.00 0.00 C ATOM 1284 O SER A 85 -7.414 -11.166 -7.562 1.00 0.00 O ATOM 1285 CB SER A 85 -9.929 -10.584 -8.386 1.00 0.00 C ATOM 1286 OG SER A 85 -9.886 -9.842 -9.593 1.00 0.00 O ATOM 0 H SER A 85 -9.647 -8.124 -8.483 1.00 0.00 H new ATOM 0 HA SER A 85 -9.937 -9.956 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.367 -11.511 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.959 -10.862 -8.163 1.00 0.00 H new ATOM 0 HG SER A 85 -10.260 -10.380 -10.321 1.00 0.00 H new ATOM 1292 N SER A 86 -7.280 -9.576 -5.970 1.00 0.00 N ATOM 1293 CA SER A 86 -5.912 -9.898 -5.566 1.00 0.00 C ATOM 1294 C SER A 86 -4.958 -9.527 -6.678 1.00 0.00 C ATOM 1295 O SER A 86 -4.007 -10.249 -6.980 1.00 0.00 O ATOM 1296 CB SER A 86 -5.779 -11.384 -5.222 1.00 0.00 C ATOM 1297 OG SER A 86 -5.113 -11.563 -3.983 1.00 0.00 O ATOM 0 H SER A 86 -7.695 -8.804 -5.448 1.00 0.00 H new ATOM 0 HA SER A 86 -5.665 -9.325 -4.672 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.768 -11.840 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.229 -11.896 -6.012 1.00 0.00 H new ATOM 0 HG SER A 86 -4.501 -12.326 -4.048 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.253 -8.404 -7.304 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.472 -7.915 -8.418 1.00 0.00 C ATOM 1305 C ASP A 87 -4.037 -6.472 -8.195 1.00 0.00 C ATOM 1306 O ASP A 87 -4.871 -5.577 -8.074 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.327 -8.022 -9.671 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.536 -7.797 -10.944 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.290 -7.866 -10.888 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.161 -7.554 -11.996 1.00 0.00 O ATOM 0 H ASP A 87 -6.041 -7.807 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.566 -8.512 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.790 -9.008 -9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.135 -7.292 -9.617 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.729 -6.243 -8.148 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.210 -4.899 -7.950 1.00 0.00 C ATOM 1317 C ILE A 88 -2.226 -4.122 -9.253 1.00 0.00 C ATOM 1318 O ILE A 88 -1.916 -2.934 -9.274 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.771 -4.903 -7.404 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.048 -6.014 -8.061 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.777 -5.057 -5.892 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.520 -5.688 -8.175 1.00 0.00 C ATOM 0 H ILE A 88 -2.016 -6.966 -8.244 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.861 -4.424 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.305 -3.948 -7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.070 -6.931 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.351 -6.210 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.248 -5.058 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.324 -4.227 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.260 -5.997 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.041 -6.519 -8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.648 -4.788 -8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.934 -5.521 -7.180 1.00 0.00 H new ATOM 1334 N THR A 89 -2.585 -4.801 -10.340 1.00 0.00 N ATOM 1335 CA THR A 89 -2.637 -4.168 -11.651 1.00 0.00 C ATOM 1336 C THR A 89 -3.307 -2.806 -11.561 1.00 0.00 C ATOM 1337 O THR A 89 -2.744 -1.807 -11.985 1.00 0.00 O ATOM 1338 CB THR A 89 -3.385 -5.040 -12.677 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.685 -6.274 -12.874 1.00 0.00 O ATOM 1340 CG2 THR A 89 -3.525 -4.316 -14.008 1.00 0.00 C ATOM 0 H THR A 89 -2.843 -5.788 -10.337 1.00 0.00 H new ATOM 0 HA THR A 89 -1.608 -4.047 -11.990 1.00 0.00 H new ATOM 0 HB THR A 89 -4.382 -5.244 -12.286 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.584 -6.734 -12.014 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.057 -4.953 -14.715 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.083 -3.391 -13.862 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.535 -4.084 -14.402 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.511 -2.767 -11.005 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.229 -1.516 -10.867 1.00 0.00 C ATOM 1350 C ALA A 90 -4.406 -0.502 -10.082 1.00 0.00 C ATOM 1351 O ALA A 90 -4.353 0.676 -10.431 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.569 -1.737 -10.187 1.00 0.00 C ATOM 0 H ALA A 90 -5.005 -3.584 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.406 -1.120 -11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.091 -0.785 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.170 -2.424 -10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.408 -2.161 -9.196 1.00 0.00 H new ATOM 1358 N SER A 91 -3.770 -0.975 -9.015 1.00 0.00 N ATOM 1359 CA SER A 91 -2.951 -0.122 -8.164 1.00 0.00 C ATOM 1360 C SER A 91 -1.769 0.457 -8.923 1.00 0.00 C ATOM 1361 O SER A 91 -1.429 1.631 -8.760 1.00 0.00 O ATOM 1362 CB SER A 91 -2.455 -0.908 -6.950 1.00 0.00 C ATOM 1363 OG SER A 91 -3.409 -1.871 -6.539 1.00 0.00 O ATOM 0 H SER A 91 -3.807 -1.950 -8.719 1.00 0.00 H new ATOM 0 HA SER A 91 -3.574 0.707 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.515 -1.404 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.250 -0.222 -6.128 1.00 0.00 H new ATOM 0 HG SER A 91 -4.015 -1.471 -5.881 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.139 -0.363 -9.749 1.00 0.00 N ATOM 1370 CA VAL A 92 0.006 0.097 -10.510 1.00 0.00 C ATOM 1371 C VAL A 92 -0.408 0.809 -11.775 1.00 0.00 C ATOM 1372 O VAL A 92 0.034 1.913 -12.017 1.00 0.00 O ATOM 1373 CB VAL A 92 0.977 -1.033 -10.885 1.00 0.00 C ATOM 1374 CG1 VAL A 92 2.019 -0.507 -11.867 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.638 -1.609 -9.641 1.00 0.00 C ATOM 0 H VAL A 92 -1.398 -1.337 -9.907 1.00 0.00 H new ATOM 0 HA VAL A 92 0.521 0.790 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 92 0.420 -1.838 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.707 -1.310 -12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.521 -0.144 -12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.575 0.309 -11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.322 -2.408 -9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.193 -0.824 -9.127 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.874 -2.008 -8.975 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.243 0.177 -12.584 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.690 0.779 -13.813 1.00 0.00 C ATOM 1387 C ASN A 93 -2.120 2.213 -13.570 1.00 0.00 C ATOM 1388 O ASN A 93 -1.713 3.137 -14.283 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.828 -0.039 -14.401 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.069 0.782 -14.688 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.909 0.985 -13.811 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.192 1.260 -15.921 1.00 0.00 N ATOM 0 H ASN A 93 -1.621 -0.753 -12.405 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.867 0.791 -14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.490 -0.509 -15.325 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.084 -0.842 -13.710 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.007 1.820 -16.172 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.472 1.067 -16.617 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.929 2.391 -12.539 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.400 3.707 -12.181 1.00 0.00 C ATOM 1401 C CYS A 94 -2.228 4.585 -11.775 1.00 0.00 C ATOM 1402 O CYS A 94 -2.101 5.713 -12.249 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.424 3.633 -11.050 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.667 4.960 -11.114 1.00 0.00 S ATOM 0 H CYS A 94 -3.269 1.639 -11.940 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.889 4.145 -13.051 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.930 2.669 -11.091 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.903 3.679 -10.094 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.373 4.071 -10.890 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.231 4.852 -10.442 1.00 0.00 C ATOM 1411 C ALA A 95 0.758 5.048 -11.574 1.00 0.00 C ATOM 1412 O ALA A 95 1.495 6.023 -11.596 1.00 0.00 O ATOM 1413 CB ALA A 95 0.441 4.230 -9.245 1.00 0.00 C ATOM 0 H ALA A 95 -1.449 3.140 -10.480 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.603 5.828 -10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.289 4.845 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.271 4.164 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.792 3.231 -9.503 1.00 0.00 H new ATOM 1419 N LYS A 96 0.758 4.124 -12.523 1.00 0.00 N ATOM 1420 CA LYS A 96 1.641 4.221 -13.667 1.00 0.00 C ATOM 1421 C LYS A 96 1.382 5.569 -14.315 1.00 0.00 C ATOM 1422 O LYS A 96 2.295 6.305 -14.691 1.00 0.00 O ATOM 1423 CB LYS A 96 1.366 3.091 -14.662 1.00 0.00 C ATOM 1424 CG LYS A 96 2.624 2.517 -15.293 1.00 0.00 C ATOM 1425 CD LYS A 96 2.328 1.875 -16.639 1.00 0.00 C ATOM 1426 CE LYS A 96 2.423 0.360 -16.567 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.677 -0.298 -17.674 1.00 0.00 N ATOM 0 H LYS A 96 0.156 3.301 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 96 2.682 4.131 -13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.828 2.292 -14.152 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.711 3.463 -15.450 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.362 3.309 -15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.063 1.777 -14.624 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.330 2.163 -16.969 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.030 2.250 -17.384 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.470 0.060 -16.607 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.029 0.017 -15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.767 -1.330 -17.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.673 -0.033 -17.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.069 0.009 -18.587 1.00 0.00 H new ATOM 1441 N LYS A 97 0.093 5.886 -14.381 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.366 7.150 -14.925 1.00 0.00 C ATOM 1443 C LYS A 97 -0.197 8.256 -13.890 1.00 0.00 C ATOM 1444 O LYS A 97 0.041 9.413 -14.237 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.830 7.052 -15.359 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.031 7.190 -16.860 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.645 8.532 -17.219 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.194 8.532 -18.637 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.478 9.910 -19.122 1.00 0.00 N ATOM 0 H LYS A 97 -0.657 5.274 -14.059 1.00 0.00 H new ATOM 0 HA LYS A 97 0.236 7.389 -15.802 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.233 6.093 -15.034 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.403 7.828 -14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.073 7.080 -17.368 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.676 6.387 -17.217 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.446 8.766 -16.518 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.894 9.316 -17.118 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.477 8.053 -19.304 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.108 7.939 -18.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.851 9.867 -20.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.181 10.359 -18.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.601 10.469 -19.113 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.305 7.890 -12.613 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.146 8.856 -11.534 1.00 0.00 C ATOM 1465 C ILE A 98 1.277 9.409 -11.523 1.00 0.00 C ATOM 1466 O ILE A 98 1.491 10.622 -11.495 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.482 8.250 -10.157 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.968 7.865 -10.094 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.141 9.237 -9.048 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.332 7.050 -8.873 1.00 0.00 C ATOM 0 H ILE A 98 -0.501 6.938 -12.305 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.852 9.665 -11.721 1.00 0.00 H new ATOM 0 HB ILE A 98 0.116 7.350 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.571 8.773 -10.107 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.226 7.298 -10.989 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.383 8.796 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.923 9.471 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.718 10.151 -9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.396 6.815 -8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.756 6.125 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.106 7.622 -7.973 1.00 0.00 H new ATOM 1482 N VAL A 99 2.240 8.498 -11.545 1.00 0.00 N ATOM 1483 CA VAL A 99 3.649 8.857 -11.536 1.00 0.00 C ATOM 1484 C VAL A 99 4.091 9.411 -12.888 1.00 0.00 C ATOM 1485 O VAL A 99 5.087 10.129 -12.976 1.00 0.00 O ATOM 1486 CB VAL A 99 4.534 7.659 -11.147 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.862 6.798 -12.359 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.804 8.139 -10.462 1.00 0.00 C ATOM 0 H VAL A 99 2.066 7.493 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 99 3.772 9.636 -10.784 1.00 0.00 H new ATOM 0 HB VAL A 99 3.976 7.039 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.488 5.960 -12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.938 6.419 -12.797 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.395 7.397 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.419 7.280 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.361 8.786 -11.140 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.544 8.695 -9.561 1.00 0.00 H new ATOM 1498 N SER A 100 3.332 9.096 -13.938 1.00 0.00 N ATOM 1499 CA SER A 100 3.645 9.592 -15.275 1.00 0.00 C ATOM 1500 C SER A 100 2.980 10.948 -15.499 1.00 0.00 C ATOM 1501 O SER A 100 3.267 11.642 -16.474 1.00 0.00 O ATOM 1502 CB SER A 100 3.178 8.599 -16.340 1.00 0.00 C ATOM 1503 OG SER A 100 3.509 9.053 -17.641 1.00 0.00 O ATOM 0 H SER A 100 2.503 8.504 -13.888 1.00 0.00 H new ATOM 0 HA SER A 100 4.726 9.706 -15.357 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.639 7.627 -16.162 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.100 8.459 -16.264 1.00 0.00 H new ATOM 0 HG SER A 100 3.669 10.020 -17.619 1.00 0.00 H new ATOM 1509 N ASP A 101 2.092 11.312 -14.579 1.00 0.00 N ATOM 1510 CA ASP A 101 1.379 12.583 -14.655 1.00 0.00 C ATOM 1511 C ASP A 101 2.109 13.663 -13.863 1.00 0.00 C ATOM 1512 O ASP A 101 1.752 14.841 -13.923 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.049 12.427 -14.127 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.066 12.298 -15.244 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.898 11.407 -16.101 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.033 13.090 -15.260 1.00 0.00 O ATOM 0 H ASP A 101 1.848 10.742 -13.769 1.00 0.00 H new ATOM 0 HA ASP A 101 1.340 12.885 -15.701 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.103 11.547 -13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.301 13.288 -13.507 1.00 0.00 H new ATOM 1521 N GLY A 102 3.134 13.253 -13.123 1.00 0.00 N ATOM 1522 CA GLY A 102 3.902 14.196 -12.329 1.00 0.00 C ATOM 1523 C GLY A 102 3.675 14.023 -10.840 1.00 0.00 C ATOM 1524 O GLY A 102 3.555 15.004 -10.106 1.00 0.00 O ATOM 0 H GLY A 102 3.447 12.284 -13.059 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.962 14.071 -12.548 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.634 15.212 -12.618 1.00 0.00 H new ATOM 1528 N ASN A 103 3.618 12.772 -10.393 1.00 0.00 N ATOM 1529 CA ASN A 103 3.405 12.472 -8.983 1.00 0.00 C ATOM 1530 C ASN A 103 4.200 11.240 -8.565 1.00 0.00 C ATOM 1531 O ASN A 103 3.788 10.108 -8.817 1.00 0.00 O ATOM 1532 CB ASN A 103 1.916 12.253 -8.705 1.00 0.00 C ATOM 1533 CG ASN A 103 1.158 13.556 -8.553 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.288 14.250 -7.544 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.359 13.897 -9.559 1.00 0.00 N ATOM 0 H ASN A 103 3.717 11.950 -10.988 1.00 0.00 H new ATOM 0 HA ASN A 103 3.754 13.323 -8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.479 11.674 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.802 11.662 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.177 14.764 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.282 13.292 -10.376 1.00 0.00 H new ATOM 1542 N GLY A 104 5.340 11.468 -7.922 1.00 0.00 N ATOM 1543 CA GLY A 104 6.175 10.366 -7.477 1.00 0.00 C ATOM 1544 C GLY A 104 5.624 9.685 -6.241 1.00 0.00 C ATOM 1545 O GLY A 104 4.411 9.556 -6.085 1.00 0.00 O ATOM 0 H GLY A 104 5.701 12.396 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.266 9.635 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.179 10.736 -7.267 1.00 0.00 H new ATOM 1549 N MET A 105 6.518 9.267 -5.352 1.00 0.00 N ATOM 1550 CA MET A 105 6.127 8.611 -4.115 1.00 0.00 C ATOM 1551 C MET A 105 5.668 9.650 -3.112 1.00 0.00 C ATOM 1552 O MET A 105 5.262 9.325 -1.995 1.00 0.00 O ATOM 1553 CB MET A 105 7.302 7.823 -3.538 1.00 0.00 C ATOM 1554 CG MET A 105 8.264 7.300 -4.591 1.00 0.00 C ATOM 1555 SD MET A 105 7.482 6.147 -5.734 1.00 0.00 S ATOM 1556 CE MET A 105 6.417 5.249 -4.612 1.00 0.00 C ATOM 0 H MET A 105 7.526 9.373 -5.469 1.00 0.00 H new ATOM 0 HA MET A 105 5.310 7.921 -4.325 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.849 8.461 -2.844 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.916 6.982 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.674 8.140 -5.152 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.102 6.806 -4.099 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.195 4.266 -5.029 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.918 5.131 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.488 5.801 -4.472 1.00 0.00 H new ATOM 1566 N ASN A 106 5.750 10.907 -3.521 1.00 0.00 N ATOM 1567 CA ASN A 106 5.361 12.017 -2.677 1.00 0.00 C ATOM 1568 C ASN A 106 3.845 12.092 -2.539 1.00 0.00 C ATOM 1569 O ASN A 106 3.328 12.444 -1.479 1.00 0.00 O ATOM 1570 CB ASN A 106 5.903 13.317 -3.268 1.00 0.00 C ATOM 1571 CG ASN A 106 7.179 13.104 -4.058 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.166 12.580 -3.538 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.168 13.510 -5.322 1.00 0.00 N ATOM 0 H ASN A 106 6.087 11.181 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 106 5.781 11.866 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.147 13.761 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.091 14.028 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.998 13.393 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.329 13.939 -5.713 1.00 0.00 H new ATOM 1580 N ALA A 107 3.137 11.760 -3.617 1.00 0.00 N ATOM 1581 CA ALA A 107 1.679 11.790 -3.611 1.00 0.00 C ATOM 1582 C ALA A 107 1.125 10.985 -2.443 1.00 0.00 C ATOM 1583 O ALA A 107 0.256 11.453 -1.707 1.00 0.00 O ATOM 1584 CB ALA A 107 1.134 11.258 -4.928 1.00 0.00 C ATOM 0 H ALA A 107 3.550 11.468 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 107 1.359 12.825 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.045 11.286 -4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.499 11.876 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.468 10.230 -5.071 1.00 0.00 H new ATOM 1590 N TRP A 108 1.642 9.773 -2.275 1.00 0.00 N ATOM 1591 CA TRP A 108 1.208 8.901 -1.193 1.00 0.00 C ATOM 1592 C TRP A 108 1.889 9.302 0.116 1.00 0.00 C ATOM 1593 O TRP A 108 3.111 9.441 0.179 1.00 0.00 O ATOM 1594 CB TRP A 108 1.500 7.443 -1.552 1.00 0.00 C ATOM 1595 CG TRP A 108 0.835 7.017 -2.832 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.454 6.591 -2.984 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.421 6.989 -4.140 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.703 6.295 -4.304 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.432 6.532 -5.035 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.686 7.304 -4.640 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.672 6.385 -6.403 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.921 7.158 -5.995 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.920 6.704 -6.861 1.00 0.00 C ATOM 0 H TRP A 108 2.363 9.373 -2.876 1.00 0.00 H new ATOM 0 HA TRP A 108 0.132 9.007 -1.053 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.577 7.304 -1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.163 6.798 -0.740 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.173 6.500 -2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.589 5.954 -4.678 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.466 7.655 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.098 6.033 -7.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.896 7.399 -6.392 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.138 6.603 -7.914 1.00 0.00 H new ATOM 1614 N VAL A 109 1.077 9.524 1.146 1.00 0.00 N ATOM 1615 CA VAL A 109 1.568 9.956 2.455 1.00 0.00 C ATOM 1616 C VAL A 109 2.297 8.861 3.226 1.00 0.00 C ATOM 1617 O VAL A 109 3.119 9.157 4.093 1.00 0.00 O ATOM 1618 CB VAL A 109 0.431 10.466 3.336 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.876 11.677 4.140 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.809 10.785 2.513 1.00 0.00 C ATOM 0 H VAL A 109 0.064 9.411 1.099 1.00 0.00 H new ATOM 0 HA VAL A 109 2.276 10.754 2.234 1.00 0.00 H new ATOM 0 HB VAL A 109 0.167 9.671 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.051 12.025 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.718 11.402 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.179 12.473 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.600 11.146 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.570 11.553 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.147 9.885 2.000 1.00 0.00 H new ATOM 1630 N ALA A 110 2.003 7.607 2.923 1.00 0.00 N ATOM 1631 CA ALA A 110 2.653 6.499 3.614 1.00 0.00 C ATOM 1632 C ALA A 110 4.136 6.444 3.285 1.00 0.00 C ATOM 1633 O ALA A 110 4.930 5.887 4.042 1.00 0.00 O ATOM 1634 CB ALA A 110 1.978 5.183 3.266 1.00 0.00 C ATOM 0 H ALA A 110 1.327 7.330 2.212 1.00 0.00 H new ATOM 0 HA ALA A 110 2.553 6.666 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.477 4.368 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.931 5.221 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.042 5.015 2.191 1.00 0.00 H new ATOM 1640 N TRP A 111 4.505 7.041 2.160 1.00 0.00 N ATOM 1641 CA TRP A 111 5.898 7.068 1.755 1.00 0.00 C ATOM 1642 C TRP A 111 6.603 8.264 2.382 1.00 0.00 C ATOM 1643 O TRP A 111 7.775 8.183 2.742 1.00 0.00 O ATOM 1644 CB TRP A 111 6.040 7.095 0.232 1.00 0.00 C ATOM 1645 CG TRP A 111 7.463 7.213 -0.226 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.305 6.189 -0.553 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.214 8.421 -0.401 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.532 6.687 -0.923 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.501 8.053 -0.838 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.923 9.778 -0.233 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.493 8.993 -1.107 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.910 10.710 -0.501 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.181 10.312 -0.934 1.00 0.00 C ATOM 0 H TRP A 111 3.864 7.508 1.519 1.00 0.00 H new ATOM 0 HA TRP A 111 6.370 6.152 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.606 6.186 -0.183 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.466 7.932 -0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 111 8.045 5.141 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.335 6.129 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.945 10.093 0.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.474 8.690 -1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.697 11.761 -0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.930 11.063 -1.135 1.00 0.00 H new ATOM 1664 N ARG A 112 5.887 9.375 2.540 1.00 0.00 N ATOM 1665 CA ARG A 112 6.462 10.563 3.154 1.00 0.00 C ATOM 1666 C ARG A 112 6.199 10.559 4.653 1.00 0.00 C ATOM 1667 O ARG A 112 5.825 11.579 5.234 1.00 0.00 O ATOM 1668 CB ARG A 112 5.859 11.813 2.538 1.00 0.00 C ATOM 1669 CG ARG A 112 6.812 12.570 1.627 1.00 0.00 C ATOM 1670 CD ARG A 112 6.163 13.823 1.060 1.00 0.00 C ATOM 1671 NE ARG A 112 5.554 14.644 2.102 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.243 15.442 2.912 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.562 15.526 2.799 1.00 0.00 N ATOM 1674 NH2 ARG A 112 5.615 16.156 3.835 1.00 0.00 N ATOM 0 H ARG A 112 4.913 9.475 2.252 1.00 0.00 H new ATOM 0 HA ARG A 112 7.538 10.558 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.972 11.535 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.530 12.478 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.709 12.843 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 112 7.129 11.921 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.912 14.410 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.403 13.540 0.332 1.00 0.00 H new ATOM 0 HE ARG A 112 4.541 14.603 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.049 14.978 2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.089 16.139 3.421 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.601 16.094 3.925 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.146 16.768 4.455 1.00 0.00 H new ATOM 1688 N ASN A 113 6.409 9.412 5.272 1.00 0.00 N ATOM 1689 CA ASN A 113 6.208 9.269 6.707 1.00 0.00 C ATOM 1690 C ASN A 113 7.118 8.184 7.271 1.00 0.00 C ATOM 1691 O ASN A 113 7.960 8.447 8.129 1.00 0.00 O ATOM 1692 CB ASN A 113 4.746 8.934 7.009 1.00 0.00 C ATOM 1693 CG ASN A 113 4.004 10.099 7.635 1.00 0.00 C ATOM 1694 OD1 ASN A 113 4.363 10.570 8.714 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.963 10.569 6.959 1.00 0.00 N ATOM 0 H ASN A 113 6.720 8.561 4.804 1.00 0.00 H new ATOM 0 HA ASN A 113 6.459 10.217 7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.245 8.641 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.704 8.077 7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.425 11.352 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.701 10.148 6.068 1.00 0.00 H new ATOM 1702 N ARG A 114 6.928 6.962 6.790 1.00 0.00 N ATOM 1703 CA ARG A 114 7.716 5.826 7.251 1.00 0.00 C ATOM 1704 C ARG A 114 8.770 5.406 6.228 1.00 0.00 C ATOM 1705 O ARG A 114 9.403 4.362 6.379 1.00 0.00 O ATOM 1706 CB ARG A 114 6.794 4.647 7.550 1.00 0.00 C ATOM 1707 CG ARG A 114 6.303 4.605 8.988 1.00 0.00 C ATOM 1708 CD ARG A 114 4.859 5.066 9.096 1.00 0.00 C ATOM 1709 NE ARG A 114 4.248 4.660 10.359 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.369 5.403 11.026 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.001 6.586 10.553 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.858 4.964 12.168 1.00 0.00 N ATOM 0 H ARG A 114 6.234 6.732 6.079 1.00 0.00 H new ATOM 0 HA ARG A 114 8.238 6.133 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.933 4.692 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.321 3.719 7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.392 3.590 9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.936 5.239 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.817 6.151 9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.284 4.655 8.266 1.00 0.00 H new ATOM 0 HE ARG A 114 4.510 3.756 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.392 6.928 9.675 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.327 7.153 11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.139 4.055 12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.184 5.535 12.678 1.00 0.00 H new ATOM 1726 N CYS A 115 8.952 6.212 5.185 1.00 0.00 N ATOM 1727 CA CYS A 115 9.930 5.890 4.150 1.00 0.00 C ATOM 1728 C CYS A 115 11.019 6.950 4.046 1.00 0.00 C ATOM 1729 O CYS A 115 12.207 6.626 4.042 1.00 0.00 O ATOM 1730 CB CYS A 115 9.239 5.719 2.800 1.00 0.00 C ATOM 1731 SG CYS A 115 7.963 4.424 2.791 1.00 0.00 S ATOM 0 H CYS A 115 8.442 7.082 5.035 1.00 0.00 H new ATOM 0 HA CYS A 115 10.406 4.951 4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.784 6.667 2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.989 5.483 2.045 1.00 0.00 H new ATOM 1736 N LYS A 116 10.618 8.215 3.959 1.00 0.00 N ATOM 1737 CA LYS A 116 11.578 9.306 3.852 1.00 0.00 C ATOM 1738 C LYS A 116 12.381 9.451 5.141 1.00 0.00 C ATOM 1739 O LYS A 116 12.035 10.250 6.012 1.00 0.00 O ATOM 1740 CB LYS A 116 10.857 10.617 3.533 1.00 0.00 C ATOM 1741 CG LYS A 116 11.782 11.711 3.022 1.00 0.00 C ATOM 1742 CD LYS A 116 11.068 12.632 2.046 1.00 0.00 C ATOM 1743 CE LYS A 116 11.986 13.738 1.550 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.400 15.088 1.774 1.00 0.00 N ATOM 0 H LYS A 116 9.641 8.508 3.961 1.00 0.00 H new ATOM 0 HA LYS A 116 12.268 9.074 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.086 10.426 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.350 10.971 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.159 12.292 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.646 11.260 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.703 12.053 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.196 13.071 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.946 13.670 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.181 13.599 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.056 15.814 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.496 15.163 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.238 15.232 2.791 1.00 0.00 H new ATOM 1758 N GLY A 117 13.453 8.674 5.255 1.00 0.00 N ATOM 1759 CA GLY A 117 14.284 8.733 6.441 1.00 0.00 C ATOM 1760 C GLY A 117 14.992 7.423 6.731 1.00 0.00 C ATOM 1761 O GLY A 117 15.857 7.362 7.605 1.00 0.00 O ATOM 0 H GLY A 117 13.760 8.006 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.026 9.522 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.667 9.004 7.298 1.00 0.00 H new ATOM 1765 N THR A 118 14.630 6.371 5.999 1.00 0.00 N ATOM 1766 CA THR A 118 15.244 5.062 6.190 1.00 0.00 C ATOM 1767 C THR A 118 15.865 4.558 4.888 1.00 0.00 C ATOM 1768 O THR A 118 16.348 5.349 4.077 1.00 0.00 O ATOM 1769 CB THR A 118 14.215 4.032 6.696 1.00 0.00 C ATOM 1770 OG1 THR A 118 13.165 3.875 5.735 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.627 4.467 8.030 1.00 0.00 C ATOM 0 H THR A 118 13.917 6.401 5.271 1.00 0.00 H new ATOM 0 HA THR A 118 16.026 5.177 6.941 1.00 0.00 H new ATOM 0 HB THR A 118 14.725 3.079 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.516 3.218 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.903 3.725 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 118 14.425 4.558 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 118 13.131 5.430 7.912 1.00 0.00 H new ATOM 1779 N ASP A 119 15.855 3.240 4.690 1.00 0.00 N ATOM 1780 CA ASP A 119 16.423 2.647 3.485 1.00 0.00 C ATOM 1781 C ASP A 119 15.460 1.661 2.833 1.00 0.00 C ATOM 1782 O ASP A 119 15.217 0.574 3.358 1.00 0.00 O ATOM 1783 CB ASP A 119 17.728 1.958 3.802 1.00 0.00 C ATOM 1784 CG ASP A 119 18.694 1.975 2.634 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.480 2.940 2.526 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.665 1.022 1.826 1.00 0.00 O ATOM 0 H ASP A 119 15.461 2.567 5.347 1.00 0.00 H new ATOM 0 HA ASP A 119 16.605 3.456 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.192 2.444 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.529 0.926 4.090 1.00 0.00 H new ATOM 1791 N VAL A 120 14.920 2.048 1.682 1.00 0.00 N ATOM 1792 CA VAL A 120 13.990 1.209 0.942 1.00 0.00 C ATOM 1793 C VAL A 120 14.730 0.078 0.243 1.00 0.00 C ATOM 1794 O VAL A 120 14.196 -1.019 0.077 1.00 0.00 O ATOM 1795 CB VAL A 120 13.205 2.022 -0.103 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.242 2.982 0.580 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.157 2.775 -1.021 1.00 0.00 C ATOM 0 H VAL A 120 15.114 2.946 1.240 1.00 0.00 H new ATOM 0 HA VAL A 120 13.285 0.795 1.663 1.00 0.00 H new ATOM 0 HB VAL A 120 12.623 1.330 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.696 3.548 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.537 2.417 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.802 3.669 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.583 3.344 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.769 3.457 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.802 2.065 -1.538 1.00 0.00 H new ATOM 1807 N GLN A 121 15.971 0.349 -0.152 1.00 0.00 N ATOM 1808 CA GLN A 121 16.791 -0.656 -0.814 1.00 0.00 C ATOM 1809 C GLN A 121 16.958 -1.855 0.106 1.00 0.00 C ATOM 1810 O GLN A 121 17.198 -2.976 -0.343 1.00 0.00 O ATOM 1811 CB GLN A 121 18.158 -0.077 -1.182 1.00 0.00 C ATOM 1812 CG GLN A 121 18.133 0.800 -2.424 1.00 0.00 C ATOM 1813 CD GLN A 121 19.351 1.694 -2.530 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.115 1.612 -3.492 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.541 2.556 -1.537 1.00 0.00 N ATOM 0 H GLN A 121 16.427 1.252 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 121 16.297 -0.970 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.534 0.507 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.860 -0.896 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.073 0.168 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.234 1.417 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.883 2.590 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.345 3.183 -1.553 1.00 0.00 H new ATOM 1824 N ALA A 122 16.809 -1.601 1.403 1.00 0.00 N ATOM 1825 CA ALA A 122 16.919 -2.643 2.410 1.00 0.00 C ATOM 1826 C ALA A 122 15.559 -3.277 2.670 1.00 0.00 C ATOM 1827 O ALA A 122 15.472 -4.399 3.169 1.00 0.00 O ATOM 1828 CB ALA A 122 17.499 -2.077 3.697 1.00 0.00 C ATOM 0 H ALA A 122 16.610 -0.674 1.780 1.00 0.00 H new ATOM 0 HA ALA A 122 17.593 -3.415 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.575 -2.870 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.490 -1.668 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.848 -1.288 4.073 1.00 0.00 H new ATOM 1834 N TRP A 123 14.494 -2.554 2.320 1.00 0.00 N ATOM 1835 CA TRP A 123 13.136 -3.059 2.512 1.00 0.00 C ATOM 1836 C TRP A 123 12.906 -4.325 1.691 1.00 0.00 C ATOM 1837 O TRP A 123 11.956 -5.069 1.933 1.00 0.00 O ATOM 1838 CB TRP A 123 12.103 -1.998 2.121 1.00 0.00 C ATOM 1839 CG TRP A 123 11.692 -1.107 3.256 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.499 0.242 3.201 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.416 -1.495 4.610 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.127 0.714 4.436 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.069 -0.337 5.313 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.427 -2.708 5.297 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.742 -0.364 6.661 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.101 -2.733 6.634 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.762 -1.565 7.306 1.00 0.00 C ATOM 0 H TRP A 123 14.546 -1.624 1.905 1.00 0.00 H new ATOM 0 HA TRP A 123 13.017 -3.298 3.569 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.512 -1.384 1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.218 -2.495 1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.621 0.850 2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.927 1.688 4.663 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.689 -3.621 4.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.479 0.543 7.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.109 -3.672 7.167 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.510 -1.609 8.355 1.00 0.00 H new ATOM 1858 N ILE A 124 13.783 -4.564 0.720 1.00 0.00 N ATOM 1859 CA ILE A 124 13.676 -5.739 -0.136 1.00 0.00 C ATOM 1860 C ILE A 124 14.999 -6.495 -0.196 1.00 0.00 C ATOM 1861 O ILE A 124 15.204 -7.341 -1.067 1.00 0.00 O ATOM 1862 CB ILE A 124 13.250 -5.356 -1.567 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.176 -4.275 -2.127 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.804 -4.884 -1.579 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.905 -4.697 -3.383 1.00 0.00 C ATOM 0 H ILE A 124 14.576 -3.959 0.507 1.00 0.00 H new ATOM 0 HA ILE A 124 12.912 -6.381 0.301 1.00 0.00 H new ATOM 0 HB ILE A 124 13.329 -6.238 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.590 -3.380 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.907 -4.004 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.517 -4.617 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.157 -5.683 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.700 -4.013 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.543 -3.882 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.518 -5.573 -3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.180 -4.940 -4.160 1.00 0.00 H new ATOM 1877 N ARG A 125 15.894 -6.183 0.735 1.00 0.00 N ATOM 1878 CA ARG A 125 17.201 -6.831 0.791 1.00 0.00 C ATOM 1879 C ARG A 125 17.060 -8.313 1.125 1.00 0.00 C ATOM 1880 O ARG A 125 16.765 -8.677 2.264 1.00 0.00 O ATOM 1881 CB ARG A 125 18.090 -6.144 1.829 1.00 0.00 C ATOM 1882 CG ARG A 125 19.563 -6.490 1.692 1.00 0.00 C ATOM 1883 CD ARG A 125 20.398 -5.259 1.380 1.00 0.00 C ATOM 1884 NE ARG A 125 21.620 -5.211 2.176 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.778 -4.738 1.723 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.870 -4.276 0.483 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.846 -4.728 2.510 1.00 0.00 N ATOM 0 H ARG A 125 15.739 -5.485 1.462 1.00 0.00 H new ATOM 0 HA ARG A 125 17.666 -6.741 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.969 -5.064 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.751 -6.422 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.918 -6.947 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.692 -7.229 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.655 -5.254 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.807 -4.363 1.569 1.00 0.00 H new ATOM 0 HE ARG A 125 21.584 -5.560 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.052 -4.283 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.759 -3.914 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.780 -5.083 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.733 -4.365 2.161 1.00 0.00 H new ATOM 1901 N GLY A 126 17.274 -9.162 0.125 1.00 0.00 N ATOM 1902 CA GLY A 126 17.169 -10.596 0.332 1.00 0.00 C ATOM 1903 C GLY A 126 15.928 -11.187 -0.309 1.00 0.00 C ATOM 1904 O GLY A 126 15.686 -12.390 -0.214 1.00 0.00 O ATOM 0 H GLY A 126 17.518 -8.883 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.053 -11.084 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.156 -10.805 1.402 1.00 0.00 H new ATOM 1908 N CYS A 127 15.140 -10.337 -0.961 1.00 0.00 N ATOM 1909 CA CYS A 127 13.918 -10.777 -1.618 1.00 0.00 C ATOM 1910 C CYS A 127 14.217 -11.714 -2.782 1.00 0.00 C ATOM 1911 O CYS A 127 15.367 -12.082 -3.018 1.00 0.00 O ATOM 1912 CB CYS A 127 13.126 -9.579 -2.099 1.00 0.00 C ATOM 1913 SG CYS A 127 11.919 -8.948 -0.890 1.00 0.00 S ATOM 0 H CYS A 127 15.328 -9.338 -1.047 1.00 0.00 H new ATOM 0 HA CYS A 127 13.325 -11.330 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.820 -8.778 -2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.599 -9.849 -3.014 1.00 0.00 H new ATOM 1918 N ARG A 128 13.171 -12.097 -3.508 1.00 0.00 N ATOM 1919 CA ARG A 128 13.319 -12.992 -4.650 1.00 0.00 C ATOM 1920 C ARG A 128 12.489 -12.507 -5.834 1.00 0.00 C ATOM 1921 O ARG A 128 11.338 -12.910 -6.004 1.00 0.00 O ATOM 1922 CB ARG A 128 12.904 -14.413 -4.268 1.00 0.00 C ATOM 1923 CG ARG A 128 13.468 -15.482 -5.191 1.00 0.00 C ATOM 1924 CD ARG A 128 14.213 -16.554 -4.412 1.00 0.00 C ATOM 1925 NE ARG A 128 13.982 -17.888 -4.959 1.00 0.00 N ATOM 1926 CZ ARG A 128 14.892 -18.858 -4.946 1.00 0.00 C ATOM 1927 NH1 ARG A 128 16.088 -18.644 -4.416 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.603 -20.045 -5.464 1.00 0.00 N ATOM 0 H ARG A 128 12.212 -11.801 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 128 14.369 -12.995 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.231 -14.616 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.816 -14.478 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 128 12.657 -15.940 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.142 -15.022 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.281 -16.336 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.897 -16.530 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 128 13.072 -18.087 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.313 -17.733 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.783 -19.390 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.683 -20.213 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.300 -20.789 -5.454 1.00 0.00 H new ATOM 1942 N LEU A 129 13.080 -11.639 -6.649 1.00 0.00 N ATOM 1943 CA LEU A 129 12.395 -11.098 -7.817 1.00 0.00 C ATOM 1944 C LEU A 129 13.290 -11.164 -9.051 1.00 0.00 C ATOM 1945 O LEU A 129 14.489 -10.840 -8.930 1.00 0.00 O ATOM 1946 CB LEU A 129 11.969 -9.651 -7.559 1.00 0.00 C ATOM 1947 CG LEU A 129 12.997 -8.795 -6.818 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.743 -7.895 -7.791 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.318 -7.968 -5.736 1.00 0.00 C ATOM 1950 OXT LEU A 129 12.782 -11.542 -10.128 1.00 0.00 O ATOM 0 H LEU A 129 14.032 -11.295 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 129 11.508 -11.704 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.747 -9.178 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.043 -9.658 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 129 13.720 -9.458 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.470 -7.293 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.260 -8.507 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.034 -7.238 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.063 -7.364 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.574 -7.314 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.830 -8.632 -5.023 1.00 0.00 H new TER 1962 LEU A 129