USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 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 30 HIS : no HE2:sc= 0.00275 X(o=-1,f=-1.2) USER MOD Set 1.2: A 37 SER OG : rot 146:sc= -1.03 USER MOD Set 2.1: A 20 SER OG : rot 47:sc= 1.51 USER MOD Set 2.2: A 58 TYR OH : rot 126:sc= 0.439 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.0422 K(o=0.042,f=-3.1!) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0.439 (180deg=0.127) USER MOD Single : A 25 SER OG : rot -90:sc= 1.24 USER MOD Single : A 26 ASN : amide:sc= 0.605 K(o=0.6,f=-1.9!) USER MOD Single : A 29 GLN : amide:sc=0.000406 X(o=0.00041,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 35 SER OG : rot 42:sc= 0.574 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 100:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= -0.0015 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -7.855 -11.750 5.253 1.00 0.00 N ATOM 70 CA ASN A 10 -7.557 -11.726 3.781 1.00 0.00 C ATOM 71 C ASN A 10 -8.651 -11.121 2.811 1.00 0.00 C ATOM 72 O ASN A 10 -9.300 -11.853 2.059 1.00 0.00 O ATOM 73 CB ASN A 10 -7.086 -13.140 3.327 1.00 0.00 C ATOM 74 CG ASN A 10 -5.751 -13.606 3.897 1.00 0.00 C ATOM 75 OD1 ASN A 10 -4.696 -13.067 3.595 1.00 0.00 O ATOM 76 ND2 ASN A 10 -5.744 -14.623 4.715 1.00 0.00 N ATOM 0 HA ASN A 10 -6.759 -10.991 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.852 -13.864 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.019 -13.149 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.862 -14.963 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.620 -15.077 4.971 1.00 0.00 H new ATOM 77 N LEU A 11 -8.825 -9.779 2.757 1.00 0.00 N ATOM 78 CA LEU A 11 -9.723 -9.112 1.784 1.00 0.00 C ATOM 79 C LEU A 11 -8.854 -8.469 0.632 1.00 0.00 C ATOM 80 O LEU A 11 -7.739 -7.970 0.829 1.00 0.00 O ATOM 81 CB LEU A 11 -10.644 -8.160 2.602 1.00 0.00 C ATOM 82 CG LEU A 11 -11.537 -7.231 1.753 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.607 -7.996 0.948 1.00 0.00 C ATOM 84 CD2 LEU A 11 -12.245 -6.157 2.591 1.00 0.00 C ATOM 0 H LEU A 11 -8.349 -9.131 3.384 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.391 -9.786 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.282 -8.763 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.021 -7.546 3.252 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.843 -6.751 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.203 -7.289 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.120 -8.697 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.255 -8.543 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.859 -5.534 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.879 -6.637 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.501 -5.537 3.091 1.00 0.00 H new ATOM 85 N ASP A 12 -9.387 -8.533 -0.598 1.00 0.00 N ATOM 86 CA ASP A 12 -8.676 -8.090 -1.834 1.00 0.00 C ATOM 87 C ASP A 12 -8.762 -6.544 -2.104 1.00 0.00 C ATOM 88 O ASP A 12 -9.358 -5.772 -1.344 1.00 0.00 O ATOM 89 CB ASP A 12 -9.295 -8.957 -2.976 1.00 0.00 C ATOM 90 CG ASP A 12 -8.825 -10.411 -3.092 1.00 0.00 C ATOM 91 OD1 ASP A 12 -8.906 -11.089 -1.913 1.00 0.00 O ATOM 92 OD2 ASP A 12 -8.430 -10.900 -4.143 1.00 0.00 O ATOM 0 H ASP A 12 -10.325 -8.892 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.600 -8.243 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.377 -8.962 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.090 -8.460 -3.924 1.00 0.00 H new ATOM 93 N GLU A 13 -8.131 -6.095 -3.203 1.00 0.00 N ATOM 94 CA GLU A 13 -8.126 -4.665 -3.612 1.00 0.00 C ATOM 95 C GLU A 13 -9.480 -4.148 -4.228 1.00 0.00 C ATOM 96 O GLU A 13 -10.401 -4.914 -4.526 1.00 0.00 O ATOM 97 CB GLU A 13 -6.850 -4.469 -4.479 1.00 0.00 C ATOM 98 CG GLU A 13 -6.859 -4.678 -6.014 1.00 0.00 C ATOM 99 CD GLU A 13 -7.208 -6.080 -6.519 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.035 -7.115 -5.881 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.728 -6.054 -7.774 1.00 0.00 O ATOM 0 H GLU A 13 -7.610 -6.703 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.071 -4.010 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.504 -3.451 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.090 -5.138 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.569 -3.974 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.874 -4.414 -6.398 1.00 0.00 H new ATOM 102 N GLY A 14 -9.603 -2.820 -4.389 1.00 0.00 N ATOM 103 CA GLY A 14 -10.886 -2.169 -4.813 1.00 0.00 C ATOM 104 C GLY A 14 -11.933 -1.865 -3.696 1.00 0.00 C ATOM 105 O GLY A 14 -13.084 -1.556 -3.999 1.00 0.00 O ATOM 0 H GLY A 14 -8.838 -2.163 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.641 -1.231 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.361 -2.810 -5.556 1.00 0.00 H new ATOM 106 N GLU A 15 -11.524 -1.939 -2.423 1.00 0.00 N ATOM 107 CA GLU A 15 -12.404 -1.827 -1.234 1.00 0.00 C ATOM 108 C GLU A 15 -12.001 -0.585 -0.368 1.00 0.00 C ATOM 109 O GLU A 15 -10.818 -0.253 -0.222 1.00 0.00 O ATOM 110 CB GLU A 15 -12.248 -3.173 -0.454 1.00 0.00 C ATOM 111 CG GLU A 15 -12.895 -4.427 -1.106 1.00 0.00 C ATOM 112 CD GLU A 15 -14.420 -4.521 -1.064 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.170 -3.627 -0.685 1.00 0.00 O ATOM 114 OE2 GLU A 15 -14.861 -5.731 -1.497 1.00 0.00 O ATOM 0 H GLU A 15 -10.545 -2.082 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.447 -1.669 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.184 -3.368 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.677 -3.044 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.582 -4.466 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.487 -5.312 -0.617 1.00 0.00 H new ATOM 115 N LEU A 16 -12.990 0.108 0.223 1.00 0.00 N ATOM 116 CA LEU A 16 -12.738 1.286 1.114 1.00 0.00 C ATOM 117 C LEU A 16 -12.131 0.839 2.491 1.00 0.00 C ATOM 118 O LEU A 16 -12.635 -0.084 3.141 1.00 0.00 O ATOM 119 CB LEU A 16 -14.074 2.077 1.230 1.00 0.00 C ATOM 120 CG LEU A 16 -13.979 3.502 1.847 1.00 0.00 C ATOM 121 CD1 LEU A 16 -15.108 4.401 1.312 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.067 3.507 3.384 1.00 0.00 C ATOM 0 H LEU A 16 -13.978 -0.117 0.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.983 1.950 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.508 2.164 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.769 1.490 1.831 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.999 3.880 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.024 5.393 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.027 4.480 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.073 3.967 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.994 4.531 3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.019 3.078 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.250 2.916 3.797 1.00 0.00 H new ATOM 123 N CYS A 17 -11.040 1.495 2.921 1.00 0.00 N ATOM 124 CA CYS A 17 -10.285 1.090 4.134 1.00 0.00 C ATOM 125 C CYS A 17 -9.853 2.245 5.098 1.00 0.00 C ATOM 126 O CYS A 17 -9.589 3.386 4.714 1.00 0.00 O ATOM 127 CB CYS A 17 -9.028 0.357 3.580 1.00 0.00 C ATOM 128 SG CYS A 17 -7.650 0.457 4.724 1.00 0.00 S ATOM 0 H CYS A 17 -10.654 2.313 2.449 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.934 0.480 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.270 -0.689 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.741 0.796 2.624 1.00 0.00 H new ATOM 129 N LEU A 18 -9.686 1.849 6.373 1.00 0.00 N ATOM 130 CA LEU A 18 -9.108 2.705 7.439 1.00 0.00 C ATOM 131 C LEU A 18 -7.601 2.300 7.661 1.00 0.00 C ATOM 132 O LEU A 18 -6.740 3.157 7.511 1.00 0.00 O ATOM 133 CB LEU A 18 -9.979 2.596 8.727 1.00 0.00 C ATOM 134 CG LEU A 18 -11.403 3.208 8.673 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.203 2.789 9.917 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.376 4.744 8.586 1.00 0.00 C ATOM 0 H LEU A 18 -9.949 0.919 6.701 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.117 3.756 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.074 1.541 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.437 3.074 9.543 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.880 2.828 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.202 3.223 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.281 1.702 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.694 3.144 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.397 5.124 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.868 5.149 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.844 5.048 7.685 1.00 0.00 H new ATOM 137 N ASN A 19 -7.278 1.095 8.183 1.00 0.00 N ATOM 138 CA ASN A 19 -5.863 0.576 8.307 1.00 0.00 C ATOM 139 C ASN A 19 -5.493 -0.591 7.309 1.00 0.00 C ATOM 140 O ASN A 19 -6.305 -0.999 6.481 1.00 0.00 O ATOM 141 CB ASN A 19 -5.659 0.199 9.808 1.00 0.00 C ATOM 142 CG ASN A 19 -5.467 1.396 10.735 1.00 0.00 C ATOM 143 OD1 ASN A 19 -4.554 2.195 10.570 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.287 1.537 11.741 1.00 0.00 N ATOM 0 H ASN A 19 -7.978 0.442 8.535 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.164 1.356 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.522 -0.374 10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.790 -0.454 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.168 2.314 12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.047 0.870 11.877 1.00 0.00 H new ATOM 145 N SER A 20 -4.311 -1.246 7.448 1.00 0.00 N ATOM 146 CA SER A 20 -3.961 -2.470 6.640 1.00 0.00 C ATOM 147 C SER A 20 -4.886 -3.707 6.931 1.00 0.00 C ATOM 148 O SER A 20 -5.142 -4.505 6.031 1.00 0.00 O ATOM 149 CB SER A 20 -2.481 -2.863 6.882 1.00 0.00 C ATOM 150 OG SER A 20 -1.626 -2.228 5.942 1.00 0.00 O ATOM 0 H SER A 20 -3.583 -0.960 8.102 1.00 0.00 H new ATOM 0 HA SER A 20 -4.120 -2.198 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.187 -2.583 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.371 -3.945 6.806 1.00 0.00 H new ATOM 0 HG SER A 20 -1.862 -1.279 5.874 1.00 0.00 H new ATOM 151 N ALA A 21 -5.415 -3.852 8.165 1.00 0.00 N ATOM 152 CA ALA A 21 -6.411 -4.913 8.493 1.00 0.00 C ATOM 153 C ALA A 21 -7.918 -4.567 8.190 1.00 0.00 C ATOM 154 O ALA A 21 -8.850 -4.859 8.941 1.00 0.00 O ATOM 155 CB ALA A 21 -6.158 -5.259 9.960 1.00 0.00 C ATOM 0 H ALA A 21 -5.174 -3.252 8.954 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.262 -5.765 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.855 -6.035 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.136 -5.619 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.303 -4.370 10.574 1.00 0.00 H new ATOM 156 N GLN A 22 -8.106 -3.969 7.020 1.00 0.00 N ATOM 157 CA GLN A 22 -9.416 -3.677 6.378 1.00 0.00 C ATOM 158 C GLN A 22 -9.337 -4.516 5.067 1.00 0.00 C ATOM 159 O GLN A 22 -10.026 -5.533 4.975 1.00 0.00 O ATOM 160 CB GLN A 22 -9.580 -2.149 6.263 1.00 0.00 C ATOM 161 CG GLN A 22 -9.990 -1.477 7.603 1.00 0.00 C ATOM 162 CD GLN A 22 -11.472 -1.139 7.733 1.00 0.00 C ATOM 163 OE1 GLN A 22 -11.909 -0.061 7.356 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.281 -2.020 8.259 1.00 0.00 N ATOM 0 H GLN A 22 -7.321 -3.652 6.452 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.324 -3.960 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.642 -1.714 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.333 -1.926 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.711 -2.139 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.413 -0.560 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.919 -2.920 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.274 -1.808 8.354 1.00 0.00 H new ATOM 165 N CYS A 23 -8.506 -4.141 4.062 1.00 0.00 N ATOM 166 CA CYS A 23 -8.195 -5.058 2.923 1.00 0.00 C ATOM 167 C CYS A 23 -7.014 -5.934 3.472 1.00 0.00 C ATOM 168 O CYS A 23 -5.828 -5.695 3.226 1.00 0.00 O ATOM 169 CB CYS A 23 -7.864 -4.286 1.663 1.00 0.00 C ATOM 170 SG CYS A 23 -9.157 -3.085 1.361 1.00 0.00 S ATOM 0 H CYS A 23 -8.046 -3.232 4.011 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.035 -5.680 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.902 -3.785 1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.777 -4.967 0.816 1.00 0.00 H new ATOM 171 N LYS A 24 -7.395 -6.946 4.256 1.00 0.00 N ATOM 172 CA LYS A 24 -6.482 -7.785 5.072 1.00 0.00 C ATOM 173 C LYS A 24 -5.458 -8.729 4.378 1.00 0.00 C ATOM 174 O LYS A 24 -4.785 -9.513 5.050 1.00 0.00 O ATOM 175 CB LYS A 24 -7.441 -8.547 6.024 1.00 0.00 C ATOM 176 CG LYS A 24 -8.388 -7.778 6.987 1.00 0.00 C ATOM 177 CD LYS A 24 -9.803 -8.397 7.094 1.00 0.00 C ATOM 178 CE LYS A 24 -10.860 -7.540 7.809 1.00 0.00 C ATOM 179 NZ LYS A 24 -10.565 -7.353 9.243 1.00 0.00 N ATOM 0 H LYS A 24 -8.373 -7.221 4.351 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.763 -7.119 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.068 -9.186 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.826 -9.205 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.938 -7.749 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.477 -6.746 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.160 -8.614 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.723 -9.350 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.920 -6.566 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.837 -8.011 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.452 -7.195 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.094 -8.202 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.941 -6.530 9.365 1.00 0.00 H new ATOM 180 N SER A 25 -5.359 -8.657 3.052 1.00 0.00 N ATOM 181 CA SER A 25 -4.309 -9.367 2.277 1.00 0.00 C ATOM 182 C SER A 25 -2.930 -8.646 2.497 1.00 0.00 C ATOM 183 O SER A 25 -2.084 -9.194 3.206 1.00 0.00 O ATOM 184 CB SER A 25 -4.781 -9.503 0.805 1.00 0.00 C ATOM 185 OG SER A 25 -5.145 -8.255 0.201 1.00 0.00 O ATOM 0 H SER A 25 -5.996 -8.110 2.473 1.00 0.00 H new ATOM 0 HA SER A 25 -4.148 -10.388 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.986 -9.963 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.636 -10.178 0.767 1.00 0.00 H new ATOM 0 HG SER A 25 -6.098 -8.083 0.353 1.00 0.00 H new ATOM 186 N ASN A 26 -2.683 -7.446 1.921 1.00 0.00 N ATOM 187 CA ASN A 26 -1.432 -6.657 2.198 1.00 0.00 C ATOM 188 C ASN A 26 -1.441 -5.149 1.713 1.00 0.00 C ATOM 189 O ASN A 26 -0.360 -4.547 1.688 1.00 0.00 O ATOM 190 CB ASN A 26 -0.207 -7.414 1.558 1.00 0.00 C ATOM 191 CG ASN A 26 1.096 -7.373 2.360 1.00 0.00 C ATOM 192 OD1 ASN A 26 1.491 -8.325 3.017 1.00 0.00 O ATOM 193 ND2 ASN A 26 1.838 -6.302 2.322 1.00 0.00 N ATOM 0 H ASN A 26 -3.320 -6.995 1.265 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.360 -6.593 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.487 -8.457 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.018 -6.990 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.721 -6.275 2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.536 -5.491 1.782 1.00 0.00 H new ATOM 194 N CYS A 27 -2.564 -4.479 1.343 1.00 0.00 N ATOM 195 CA CYS A 27 -2.472 -3.116 0.725 1.00 0.00 C ATOM 196 C CYS A 27 -3.692 -2.155 0.886 1.00 0.00 C ATOM 197 O CYS A 27 -4.625 -2.128 0.078 1.00 0.00 O ATOM 198 CB CYS A 27 -2.156 -3.348 -0.780 1.00 0.00 C ATOM 199 SG CYS A 27 -2.114 -1.814 -1.746 1.00 0.00 S ATOM 0 H CYS A 27 -3.513 -4.837 1.453 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.697 -2.580 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.194 -3.852 -0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.906 -4.016 -1.203 1.00 0.00 H new ATOM 200 N CYS A 28 -3.634 -1.301 1.917 1.00 0.00 N ATOM 201 CA CYS A 28 -4.595 -0.183 2.093 1.00 0.00 C ATOM 202 C CYS A 28 -3.892 1.053 1.445 1.00 0.00 C ATOM 203 O CYS A 28 -2.913 1.554 2.013 1.00 0.00 O ATOM 204 CB CYS A 28 -4.856 -0.012 3.595 1.00 0.00 C ATOM 205 SG CYS A 28 -6.055 1.290 3.875 1.00 0.00 S ATOM 0 H CYS A 28 -2.929 -1.357 2.652 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.567 -0.340 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.221 -0.949 4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.924 0.226 4.108 1.00 0.00 H new ATOM 206 N GLN A 29 -4.304 1.509 0.246 1.00 0.00 N ATOM 207 CA GLN A 29 -3.563 2.583 -0.471 1.00 0.00 C ATOM 208 C GLN A 29 -4.202 3.996 -0.274 1.00 0.00 C ATOM 209 O GLN A 29 -5.407 4.217 -0.417 1.00 0.00 O ATOM 210 CB GLN A 29 -3.421 2.130 -1.948 1.00 0.00 C ATOM 211 CG GLN A 29 -2.173 2.712 -2.683 1.00 0.00 C ATOM 212 CD GLN A 29 -2.410 3.622 -3.885 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.869 3.422 -4.965 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.163 4.675 -3.728 1.00 0.00 N ATOM 0 H GLN A 29 -5.129 1.163 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.567 2.717 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.371 1.042 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.318 2.423 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.585 3.269 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.559 1.874 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.617 4.848 -2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.298 5.325 -4.502 1.00 0.00 H new ATOM 215 N HIS A 30 -3.350 4.960 0.079 1.00 0.00 N ATOM 216 CA HIS A 30 -3.761 6.340 0.428 1.00 0.00 C ATOM 217 C HIS A 30 -4.001 7.268 -0.808 1.00 0.00 C ATOM 218 O HIS A 30 -3.502 7.050 -1.914 1.00 0.00 O ATOM 219 CB HIS A 30 -2.604 6.844 1.334 1.00 0.00 C ATOM 220 CG HIS A 30 -2.873 8.049 2.223 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.919 8.127 3.131 1.00 0.00 N ATOM 222 CD2 HIS A 30 -1.945 9.073 2.446 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.505 9.221 3.845 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.349 9.857 3.507 1.00 0.00 N ATOM 0 H HIS A 30 -2.342 4.813 0.134 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.732 6.355 0.923 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.296 6.018 1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.756 7.084 0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.749 7.544 3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.044 9.227 1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.095 9.579 4.676 1.00 0.00 H new ATOM 225 N ASP A 31 -4.759 8.342 -0.583 1.00 0.00 N ATOM 226 CA ASP A 31 -4.992 9.404 -1.592 1.00 0.00 C ATOM 227 C ASP A 31 -3.793 10.413 -1.682 1.00 0.00 C ATOM 228 O ASP A 31 -3.345 10.694 -2.793 1.00 0.00 O ATOM 229 CB ASP A 31 -6.371 10.055 -1.304 1.00 0.00 C ATOM 230 CG ASP A 31 -6.614 10.743 0.042 1.00 0.00 C ATOM 231 OD1 ASP A 31 -5.958 10.522 1.057 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.653 11.621 -0.025 1.00 0.00 O ATOM 0 H ASP A 31 -5.235 8.511 0.303 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.032 8.975 -2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.553 10.793 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.128 9.279 -1.415 1.00 0.00 H new ATOM 233 N THR A 32 -3.324 10.992 -0.555 1.00 0.00 N ATOM 234 CA THR A 32 -2.101 11.858 -0.488 1.00 0.00 C ATOM 235 C THR A 32 -1.827 12.313 0.980 1.00 0.00 C ATOM 236 O THR A 32 -0.790 11.942 1.520 1.00 0.00 O ATOM 237 CB THR A 32 -2.013 13.086 -1.473 1.00 0.00 C ATOM 238 OG1 THR A 32 -3.250 13.373 -2.108 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.004 12.810 -2.592 1.00 0.00 C ATOM 0 H THR A 32 -3.781 10.877 0.350 1.00 0.00 H new ATOM 0 HA THR A 32 -1.316 11.195 -0.852 1.00 0.00 H new ATOM 0 HB THR A 32 -1.713 13.932 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.140 14.142 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.958 13.669 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.019 12.634 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.315 11.929 -3.154 1.00 0.00 H new ATOM 240 N ILE A 33 -2.685 13.121 1.627 1.00 0.00 N ATOM 241 CA ILE A 33 -2.458 13.591 3.041 1.00 0.00 C ATOM 242 C ILE A 33 -3.780 13.409 3.876 1.00 0.00 C ATOM 243 O ILE A 33 -3.768 12.668 4.863 1.00 0.00 O ATOM 244 CB ILE A 33 -1.854 15.049 3.049 1.00 0.00 C ATOM 245 CG1 ILE A 33 -0.438 15.197 2.406 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.806 15.688 4.465 1.00 0.00 C ATOM 247 CD1 ILE A 33 0.740 14.469 3.084 1.00 0.00 C ATOM 0 H ILE A 33 -3.547 13.472 1.210 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.707 12.977 3.539 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.563 15.583 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.500 14.846 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.197 16.259 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.380 16.689 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.816 15.750 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.188 15.074 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.657 14.663 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.852 14.832 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.545 13.397 3.099 1.00 0.00 H new ATOM 248 N LEU A 34 -4.908 14.068 3.518 1.00 0.00 N ATOM 249 CA LEU A 34 -6.222 13.883 4.211 1.00 0.00 C ATOM 250 C LEU A 34 -6.825 12.471 3.880 1.00 0.00 C ATOM 251 O LEU A 34 -7.394 12.256 2.810 1.00 0.00 O ATOM 252 CB LEU A 34 -7.124 15.077 3.780 1.00 0.00 C ATOM 253 CG LEU A 34 -8.521 15.174 4.448 1.00 0.00 C ATOM 254 CD1 LEU A 34 -8.442 15.457 5.959 1.00 0.00 C ATOM 255 CD2 LEU A 34 -9.348 16.282 3.777 1.00 0.00 C ATOM 0 H LEU A 34 -4.942 14.738 2.750 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.124 13.893 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.584 16.002 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.266 15.023 2.701 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.998 14.203 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.449 15.514 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.893 14.654 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.928 16.403 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.327 16.343 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.832 17.236 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.472 16.053 2.719 1.00 0.00 H new ATOM 256 N SER A 35 -6.705 11.534 4.830 1.00 0.00 N ATOM 257 CA SER A 35 -7.053 10.099 4.646 1.00 0.00 C ATOM 258 C SER A 35 -8.461 9.640 4.115 1.00 0.00 C ATOM 259 O SER A 35 -9.404 9.377 4.869 1.00 0.00 O ATOM 260 CB SER A 35 -6.745 9.431 6.016 1.00 0.00 C ATOM 261 OG SER A 35 -7.705 9.791 7.014 1.00 0.00 O ATOM 0 H SER A 35 -6.359 11.744 5.766 1.00 0.00 H new ATOM 0 HA SER A 35 -6.458 9.786 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.734 8.348 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.749 9.725 6.347 1.00 0.00 H new ATOM 0 HG SER A 35 -8.604 9.774 6.624 1.00 0.00 H new ATOM 262 N LEU A 36 -8.539 9.478 2.790 1.00 0.00 N ATOM 263 CA LEU A 36 -9.701 8.870 2.082 1.00 0.00 C ATOM 264 C LEU A 36 -9.014 7.729 1.256 1.00 0.00 C ATOM 265 O LEU A 36 -8.590 7.926 0.113 1.00 0.00 O ATOM 266 CB LEU A 36 -10.466 9.951 1.271 1.00 0.00 C ATOM 267 CG LEU A 36 -11.896 9.568 0.806 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.634 10.820 0.304 1.00 0.00 C ATOM 269 CD2 LEU A 36 -11.918 8.509 -0.311 1.00 0.00 C ATOM 0 H LEU A 36 -7.792 9.766 2.158 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.493 8.460 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.533 10.853 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.874 10.203 0.391 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.390 9.136 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.637 10.545 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.701 11.550 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.087 11.253 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.950 8.291 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.383 8.888 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.436 7.597 0.042 1.00 0.00 H new ATOM 270 N SER A 37 -8.854 6.547 1.875 1.00 0.00 N ATOM 271 CA SER A 37 -8.058 5.432 1.291 1.00 0.00 C ATOM 272 C SER A 37 -8.899 4.314 0.597 1.00 0.00 C ATOM 273 O SER A 37 -9.922 3.836 1.101 1.00 0.00 O ATOM 274 CB SER A 37 -7.203 4.863 2.448 1.00 0.00 C ATOM 275 OG SER A 37 -6.419 5.893 3.053 1.00 0.00 O ATOM 0 H SER A 37 -9.264 6.330 2.784 1.00 0.00 H new ATOM 0 HA SER A 37 -7.449 5.824 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.852 4.407 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.550 4.076 2.071 1.00 0.00 H new ATOM 0 HG SER A 37 -6.331 5.716 4.013 1.00 0.00 H new ATOM 276 N ARG A 38 -8.413 3.896 -0.575 1.00 0.00 N ATOM 277 CA ARG A 38 -8.975 2.765 -1.358 1.00 0.00 C ATOM 278 C ARG A 38 -7.847 1.699 -1.563 1.00 0.00 C ATOM 279 O ARG A 38 -6.677 2.032 -1.780 1.00 0.00 O ATOM 280 CB ARG A 38 -9.507 3.328 -2.708 1.00 0.00 C ATOM 281 CG ARG A 38 -10.455 2.390 -3.500 1.00 0.00 C ATOM 282 CD ARG A 38 -11.858 2.184 -2.886 1.00 0.00 C ATOM 283 NE ARG A 38 -12.791 3.313 -3.153 1.00 0.00 N ATOM 284 CZ ARG A 38 -13.040 4.329 -2.332 1.00 0.00 C ATOM 285 NH1 ARG A 38 -12.412 4.544 -1.206 1.00 0.00 N ATOM 286 NH2 ARG A 38 -13.963 5.172 -2.677 1.00 0.00 N ATOM 0 H ARG A 38 -7.607 4.332 -1.023 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.804 2.281 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.032 4.262 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.654 3.571 -3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.574 2.790 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.975 1.416 -3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.289 1.265 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.759 2.051 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.284 3.307 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.673 3.908 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.660 5.347 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.470 5.043 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.182 5.964 -2.073 1.00 0.00 H new ATOM 287 N CYS A 39 -8.161 0.401 -1.500 1.00 0.00 N ATOM 288 CA CYS A 39 -7.132 -0.655 -1.625 1.00 0.00 C ATOM 289 C CYS A 39 -6.703 -0.944 -3.092 1.00 0.00 C ATOM 290 O CYS A 39 -7.478 -0.886 -4.051 1.00 0.00 O ATOM 291 CB CYS A 39 -7.696 -1.884 -0.918 1.00 0.00 C ATOM 292 SG CYS A 39 -8.200 -1.477 0.750 1.00 0.00 S ATOM 0 H CYS A 39 -9.109 0.051 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.202 -0.328 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.548 -2.272 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.944 -2.673 -0.894 1.00 0.00 H new ATOM 293 N ALA A 40 -5.423 -1.284 -3.221 1.00 0.00 N ATOM 294 CA ALA A 40 -4.748 -1.481 -4.524 1.00 0.00 C ATOM 295 C ALA A 40 -3.841 -2.756 -4.585 1.00 0.00 C ATOM 296 O ALA A 40 -3.764 -3.560 -3.652 1.00 0.00 O ATOM 297 CB ALA A 40 -3.993 -0.153 -4.680 1.00 0.00 C ATOM 0 H ALA A 40 -4.809 -1.435 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.433 -1.685 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.438 -0.158 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.705 0.672 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.299 -0.029 -3.849 1.00 0.00 H new ATOM 298 N LEU A 41 -3.180 -2.957 -5.731 1.00 0.00 N ATOM 299 CA LEU A 41 -2.211 -4.073 -5.927 1.00 0.00 C ATOM 300 C LEU A 41 -0.777 -3.634 -5.459 1.00 0.00 C ATOM 301 O LEU A 41 -0.332 -2.520 -5.759 1.00 0.00 O ATOM 302 CB LEU A 41 -2.271 -4.478 -7.439 1.00 0.00 C ATOM 303 CG LEU A 41 -2.178 -5.980 -7.819 1.00 0.00 C ATOM 304 CD1 LEU A 41 -0.867 -6.653 -7.390 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.383 -6.793 -7.316 1.00 0.00 C ATOM 0 H LEU A 41 -3.292 -2.362 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.465 -4.943 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.206 -4.093 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.462 -3.958 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.192 -5.981 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.880 -7.700 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.026 -6.149 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.762 -6.589 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.266 -7.836 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.439 -6.726 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.299 -6.394 -7.752 1.00 0.00 H new ATOM 306 N LYS A 42 -0.054 -4.489 -4.714 1.00 0.00 N ATOM 307 CA LYS A 42 1.349 -4.191 -4.284 1.00 0.00 C ATOM 308 C LYS A 42 2.374 -4.156 -5.484 1.00 0.00 C ATOM 309 O LYS A 42 2.122 -4.693 -6.568 1.00 0.00 O ATOM 310 CB LYS A 42 1.695 -5.145 -3.093 1.00 0.00 C ATOM 311 CG LYS A 42 2.372 -6.508 -3.367 1.00 0.00 C ATOM 312 CD LYS A 42 1.549 -7.525 -4.180 1.00 0.00 C ATOM 313 CE LYS A 42 0.326 -8.135 -3.471 1.00 0.00 C ATOM 314 NZ LYS A 42 0.743 -9.191 -2.523 1.00 0.00 N ATOM 0 H LYS A 42 -0.404 -5.391 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 42 1.435 -3.170 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.342 -4.592 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.767 -5.346 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.308 -6.326 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.628 -6.962 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.207 -7.037 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.210 -8.337 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.218 -7.355 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.358 -8.552 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.096 -9.589 -2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.242 -9.944 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.377 -8.784 -1.807 1.00 0.00 H new ATOM 315 N ALA A 43 3.538 -3.522 -5.294 1.00 0.00 N ATOM 316 CA ALA A 43 4.517 -3.294 -6.382 1.00 0.00 C ATOM 317 C ALA A 43 5.369 -4.525 -6.844 1.00 0.00 C ATOM 318 O ALA A 43 5.630 -5.500 -6.134 1.00 0.00 O ATOM 319 CB ALA A 43 5.426 -2.162 -5.860 1.00 0.00 C ATOM 0 H ALA A 43 3.833 -3.152 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 43 3.965 -3.053 -7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.184 -1.929 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.825 -1.274 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.912 -2.482 -4.938 1.00 0.00 H new ATOM 320 N ARG A 44 5.809 -4.410 -8.096 1.00 0.00 N ATOM 321 CA ARG A 44 6.646 -5.417 -8.801 1.00 0.00 C ATOM 322 C ARG A 44 8.037 -4.814 -9.175 1.00 0.00 C ATOM 323 O ARG A 44 8.321 -3.634 -8.956 1.00 0.00 O ATOM 324 CB ARG A 44 5.813 -5.906 -10.025 1.00 0.00 C ATOM 325 CG ARG A 44 4.797 -7.028 -9.677 1.00 0.00 C ATOM 326 CD ARG A 44 3.390 -6.838 -10.274 1.00 0.00 C ATOM 327 NE ARG A 44 2.663 -5.756 -9.551 1.00 0.00 N ATOM 328 CZ ARG A 44 1.924 -4.804 -10.109 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.674 -4.715 -11.388 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.417 -3.903 -9.328 1.00 0.00 N ATOM 0 H ARG A 44 5.595 -3.598 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 44 6.882 -6.275 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.275 -5.059 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.493 -6.269 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.197 -7.981 -10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.709 -7.095 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.467 -6.589 -11.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.830 -7.770 -10.206 1.00 0.00 H new ATOM 0 HE ARG A 44 2.740 -5.746 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.057 -5.407 -12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.096 -3.953 -11.743 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.591 -3.942 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.843 -3.155 -9.717 1.00 0.00 H new ATOM 331 N GLU A 45 8.931 -5.639 -9.740 1.00 0.00 N ATOM 332 CA GLU A 45 10.337 -5.231 -10.033 1.00 0.00 C ATOM 333 C GLU A 45 10.446 -3.986 -10.984 1.00 0.00 C ATOM 334 O GLU A 45 9.860 -3.940 -12.068 1.00 0.00 O ATOM 335 CB GLU A 45 11.121 -6.467 -10.551 1.00 0.00 C ATOM 336 CG GLU A 45 12.649 -6.215 -10.690 1.00 0.00 C ATOM 337 CD GLU A 45 13.502 -7.469 -10.820 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.968 -8.077 -9.864 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.694 -7.834 -12.115 1.00 0.00 O ATOM 0 H GLU A 45 8.716 -6.599 -10.009 1.00 0.00 H new ATOM 0 HA GLU A 45 10.795 -4.886 -9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.959 -7.303 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.719 -6.763 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.820 -5.586 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.989 -5.652 -9.821 1.00 0.00 H new ATOM 340 N ASN A 46 11.226 -2.999 -10.518 1.00 0.00 N ATOM 341 CA ASN A 46 11.392 -1.640 -11.143 1.00 0.00 C ATOM 342 C ASN A 46 10.252 -0.609 -10.767 1.00 0.00 C ATOM 343 O ASN A 46 10.242 0.497 -11.315 1.00 0.00 O ATOM 344 CB ASN A 46 11.674 -1.662 -12.679 1.00 0.00 C ATOM 345 CG ASN A 46 12.911 -2.447 -13.111 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.047 -2.052 -12.881 1.00 0.00 O ATOM 347 ND2 ASN A 46 12.739 -3.580 -13.740 1.00 0.00 N ATOM 0 H ASN A 46 11.784 -3.109 -9.671 1.00 0.00 H new ATOM 0 HA ASN A 46 12.305 -1.267 -10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.804 -2.082 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.778 -0.634 -13.026 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.548 -4.127 -14.035 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.796 -3.917 -13.936 1.00 0.00 H new ATOM 348 N SER A 47 9.366 -0.888 -9.785 1.00 0.00 N ATOM 349 CA SER A 47 8.330 0.068 -9.311 1.00 0.00 C ATOM 350 C SER A 47 8.630 0.588 -7.868 1.00 0.00 C ATOM 351 O SER A 47 9.162 -0.119 -7.008 1.00 0.00 O ATOM 352 CB SER A 47 6.963 -0.652 -9.396 1.00 0.00 C ATOM 353 OG SER A 47 5.885 0.211 -9.025 1.00 0.00 O ATOM 0 H SER A 47 9.346 -1.783 -9.296 1.00 0.00 H new ATOM 0 HA SER A 47 8.324 0.957 -9.941 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.806 -1.014 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.971 -1.525 -8.744 1.00 0.00 H new ATOM 0 HG SER A 47 5.038 -0.277 -9.092 1.00 0.00 H new ATOM 354 N GLU A 48 8.249 1.845 -7.601 1.00 0.00 N ATOM 355 CA GLU A 48 8.503 2.527 -6.318 1.00 0.00 C ATOM 356 C GLU A 48 7.474 2.115 -5.206 1.00 0.00 C ATOM 357 O GLU A 48 6.287 2.439 -5.235 1.00 0.00 O ATOM 358 CB GLU A 48 8.510 4.050 -6.627 1.00 0.00 C ATOM 359 CG GLU A 48 9.113 4.879 -5.472 1.00 0.00 C ATOM 360 CD GLU A 48 9.228 6.378 -5.726 1.00 0.00 C ATOM 361 OE1 GLU A 48 10.253 6.687 -6.564 1.00 0.00 O ATOM 362 OE2 GLU A 48 8.498 7.217 -5.213 1.00 0.00 O ATOM 0 H GLU A 48 7.750 2.426 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 48 9.463 2.229 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.081 4.231 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.490 4.385 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.503 4.725 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.106 4.489 -5.249 1.00 0.00 H new ATOM 363 N CYS A 49 8.004 1.384 -4.236 1.00 0.00 N ATOM 364 CA CYS A 49 7.312 0.943 -3.003 1.00 0.00 C ATOM 365 C CYS A 49 7.650 1.846 -1.773 1.00 0.00 C ATOM 366 O CYS A 49 8.762 2.364 -1.621 1.00 0.00 O ATOM 367 CB CYS A 49 7.778 -0.524 -2.732 1.00 0.00 C ATOM 368 SG CYS A 49 8.538 -0.747 -1.090 1.00 0.00 S ATOM 0 H CYS A 49 8.971 1.060 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 49 6.233 1.012 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.922 -1.192 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.494 -0.818 -3.499 1.00 0.00 H new ATOM 369 N SER A 50 6.720 1.930 -0.813 1.00 0.00 N ATOM 370 CA SER A 50 6.972 2.605 0.492 1.00 0.00 C ATOM 371 C SER A 50 7.775 1.586 1.367 1.00 0.00 C ATOM 372 O SER A 50 7.220 0.637 1.926 1.00 0.00 O ATOM 373 CB SER A 50 5.634 3.049 1.120 1.00 0.00 C ATOM 374 OG SER A 50 5.843 3.730 2.360 1.00 0.00 O ATOM 0 H SER A 50 5.781 1.542 -0.904 1.00 0.00 H new ATOM 0 HA SER A 50 7.557 3.519 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.104 3.704 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.000 2.178 1.283 1.00 0.00 H new ATOM 0 HG SER A 50 4.979 4.001 2.734 1.00 0.00 H new ATOM 375 N ALA A 51 9.091 1.809 1.487 1.00 0.00 N ATOM 376 CA ALA A 51 10.014 0.838 2.137 1.00 0.00 C ATOM 377 C ALA A 51 9.944 0.670 3.692 1.00 0.00 C ATOM 378 O ALA A 51 10.053 -0.444 4.208 1.00 0.00 O ATOM 379 CB ALA A 51 11.401 1.355 1.704 1.00 0.00 C ATOM 0 H ALA A 51 9.552 2.652 1.145 1.00 0.00 H new ATOM 0 HA ALA A 51 9.745 -0.170 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.176 0.714 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.471 1.342 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.538 2.375 2.064 1.00 0.00 H new ATOM 380 N PHE A 52 9.745 1.766 4.427 1.00 0.00 N ATOM 381 CA PHE A 52 9.565 1.775 5.905 1.00 0.00 C ATOM 382 C PHE A 52 8.103 1.411 6.351 1.00 0.00 C ATOM 383 O PHE A 52 7.420 2.202 7.007 1.00 0.00 O ATOM 384 CB PHE A 52 10.057 3.197 6.362 1.00 0.00 C ATOM 385 CG PHE A 52 9.238 4.430 5.887 1.00 0.00 C ATOM 386 CD1 PHE A 52 9.374 4.909 4.579 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.235 4.962 6.704 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.487 5.857 4.080 1.00 0.00 C ATOM 389 CE2 PHE A 52 7.341 5.902 6.203 1.00 0.00 C ATOM 390 CZ PHE A 52 7.470 6.355 4.891 1.00 0.00 C ATOM 0 H PHE A 52 9.701 2.698 4.016 1.00 0.00 H new ATOM 0 HA PHE A 52 10.147 0.994 6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.081 3.210 7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.084 3.323 6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.173 4.540 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.154 4.640 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.587 6.207 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.547 6.281 6.830 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.782 7.092 4.504 1.00 0.00 H new ATOM 391 N THR A 53 7.589 0.204 6.042 1.00 0.00 N ATOM 392 CA THR A 53 6.160 -0.117 6.346 1.00 0.00 C ATOM 393 C THR A 53 5.886 -0.236 7.874 1.00 0.00 C ATOM 394 O THR A 53 6.584 -0.886 8.656 1.00 0.00 O ATOM 395 CB THR A 53 5.570 -1.373 5.646 1.00 0.00 C ATOM 396 OG1 THR A 53 6.376 -2.524 5.872 1.00 0.00 O ATOM 397 CG2 THR A 53 5.441 -1.167 4.138 1.00 0.00 C ATOM 0 H THR A 53 8.113 -0.550 5.597 1.00 0.00 H new ATOM 0 HA THR A 53 5.645 0.746 5.924 1.00 0.00 H new ATOM 0 HB THR A 53 4.582 -1.527 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.977 -3.297 5.420 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.025 -2.066 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.781 -0.322 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.424 -0.966 3.713 1.00 0.00 H new ATOM 398 N LEU A 54 4.776 0.398 8.220 1.00 0.00 N ATOM 399 CA LEU A 54 4.244 0.485 9.592 1.00 0.00 C ATOM 400 C LEU A 54 3.196 -0.666 9.758 1.00 0.00 C ATOM 401 O LEU A 54 3.457 -1.824 9.410 1.00 0.00 O ATOM 402 CB LEU A 54 3.758 1.988 9.631 1.00 0.00 C ATOM 403 CG LEU A 54 2.491 2.360 8.776 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.391 3.043 9.602 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.826 3.207 7.543 1.00 0.00 C ATOM 0 H LEU A 54 4.194 0.886 7.539 1.00 0.00 H new ATOM 0 HA LEU A 54 4.901 0.318 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.553 2.249 10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.584 2.618 9.301 1.00 0.00 H new ATOM 0 HG LEU A 54 2.104 1.403 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.543 3.275 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.068 2.375 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.780 3.964 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.910 3.430 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.297 4.138 7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.510 2.655 6.897 1.00 0.00 H new ATOM 406 N TYR A 55 2.037 -0.380 10.347 1.00 0.00 N ATOM 407 CA TYR A 55 0.910 -1.335 10.336 1.00 0.00 C ATOM 408 C TYR A 55 -0.370 -0.474 10.098 1.00 0.00 C ATOM 409 O TYR A 55 -1.181 -0.219 10.995 1.00 0.00 O ATOM 410 CB TYR A 55 0.892 -2.299 11.560 1.00 0.00 C ATOM 411 CG TYR A 55 -0.034 -3.479 11.220 1.00 0.00 C ATOM 412 CD1 TYR A 55 0.415 -4.431 10.297 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.404 -3.345 11.461 1.00 0.00 C ATOM 414 CE1 TYR A 55 -0.504 -5.163 9.552 1.00 0.00 C ATOM 415 CE2 TYR A 55 -2.320 -4.075 10.711 1.00 0.00 C ATOM 416 CZ TYR A 55 -1.870 -4.988 9.757 1.00 0.00 C ATOM 417 OH TYR A 55 -2.759 -5.626 8.936 1.00 0.00 O ATOM 0 H TYR A 55 1.846 0.494 10.836 1.00 0.00 H new ATOM 0 HA TYR A 55 0.996 -2.064 9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.898 -2.655 11.780 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.536 -1.779 12.450 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.474 -4.597 10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.752 -2.673 12.231 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.157 -5.869 8.812 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.379 -3.935 10.867 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.100 -6.428 9.384 1.00 0.00 H new ATOM 418 N GLY A 56 -0.523 -0.008 8.851 1.00 0.00 N ATOM 419 CA GLY A 56 -1.630 0.914 8.502 1.00 0.00 C ATOM 420 C GLY A 56 -1.734 1.196 7.000 1.00 0.00 C ATOM 421 O GLY A 56 -1.590 0.304 6.163 1.00 0.00 O ATOM 0 H GLY A 56 0.092 -0.245 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.571 0.489 8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.490 1.856 9.032 1.00 0.00 H new ATOM 422 N VAL A 57 -2.029 2.445 6.660 1.00 0.00 N ATOM 423 CA VAL A 57 -2.202 2.861 5.234 1.00 0.00 C ATOM 424 C VAL A 57 -0.839 3.272 4.599 1.00 0.00 C ATOM 425 O VAL A 57 0.028 3.899 5.218 1.00 0.00 O ATOM 426 CB VAL A 57 -3.247 4.007 5.077 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.738 4.150 3.625 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.528 3.766 5.874 1.00 0.00 C ATOM 0 H VAL A 57 -2.157 3.200 7.334 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.587 1.994 4.698 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.711 4.888 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.464 4.960 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.892 4.372 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.206 3.219 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.213 4.600 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.999 2.843 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.287 3.683 6.934 1.00 0.00 H new ATOM 429 N TYR A 58 -0.689 2.921 3.322 1.00 0.00 N ATOM 430 CA TYR A 58 0.562 3.110 2.571 1.00 0.00 C ATOM 431 C TYR A 58 0.334 4.075 1.376 1.00 0.00 C ATOM 432 O TYR A 58 -0.594 3.932 0.576 1.00 0.00 O ATOM 433 CB TYR A 58 1.034 1.708 2.096 1.00 0.00 C ATOM 434 CG TYR A 58 1.219 0.621 3.179 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.919 0.880 4.365 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.543 -0.593 3.034 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.968 -0.080 5.374 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.619 -1.562 4.030 1.00 0.00 C ATOM 439 CZ TYR A 58 1.321 -1.298 5.205 1.00 0.00 C ATOM 440 OH TYR A 58 1.276 -2.186 6.244 1.00 0.00 O ATOM 0 H TYR A 58 -1.434 2.494 2.772 1.00 0.00 H new ATOM 0 HA TYR A 58 1.330 3.564 3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.314 1.338 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.983 1.830 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.422 1.826 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.041 -0.780 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.509 0.123 6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.135 -2.517 3.893 1.00 0.00 H new ATOM 0 HH TYR A 58 0.345 -2.433 6.423 1.00 0.00 H new ATOM 441 N TYR A 59 1.237 5.043 1.238 1.00 0.00 N ATOM 442 CA TYR A 59 1.257 5.992 0.080 1.00 0.00 C ATOM 443 C TYR A 59 1.486 5.267 -1.306 1.00 0.00 C ATOM 444 O TYR A 59 0.806 5.561 -2.290 1.00 0.00 O ATOM 445 CB TYR A 59 2.333 7.061 0.417 1.00 0.00 C ATOM 446 CG TYR A 59 1.988 8.168 1.447 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.732 7.868 2.793 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.005 9.511 1.047 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.471 8.886 3.709 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.769 10.526 1.972 1.00 0.00 C ATOM 451 CZ TYR A 59 1.504 10.212 3.299 1.00 0.00 C ATOM 452 OH TYR A 59 1.255 11.203 4.208 1.00 0.00 O ATOM 0 H TYR A 59 1.983 5.208 1.914 1.00 0.00 H new ATOM 0 HA TYR A 59 0.286 6.469 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.217 6.537 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.613 7.553 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.737 6.840 3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.202 9.761 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.243 8.643 4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.792 11.559 1.657 1.00 0.00 H new ATOM 0 HH TYR A 59 1.963 11.879 4.157 1.00 0.00 H new ATOM 453 N LYS A 60 2.430 4.315 -1.349 1.00 0.00 N ATOM 454 CA LYS A 60 2.689 3.422 -2.500 1.00 0.00 C ATOM 455 C LYS A 60 2.900 2.021 -1.834 1.00 0.00 C ATOM 456 O LYS A 60 3.865 1.827 -1.091 1.00 0.00 O ATOM 457 CB LYS A 60 3.927 3.876 -3.318 1.00 0.00 C ATOM 458 CG LYS A 60 3.781 5.222 -4.064 1.00 0.00 C ATOM 459 CD LYS A 60 4.975 5.505 -5.002 1.00 0.00 C ATOM 460 CE LYS A 60 4.978 6.909 -5.630 1.00 0.00 C ATOM 461 NZ LYS A 60 3.924 7.046 -6.655 1.00 0.00 N ATOM 0 H LYS A 60 3.055 4.136 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 60 1.876 3.421 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.780 3.947 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.162 3.101 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.859 5.214 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.693 6.030 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.900 5.370 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.976 4.764 -5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.829 7.657 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.951 7.106 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.954 8.004 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.081 6.348 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.994 6.882 -6.220 1.00 0.00 H new ATOM 462 N CYS A 61 1.985 1.056 -2.010 1.00 0.00 N ATOM 463 CA CYS A 61 2.080 -0.285 -1.351 1.00 0.00 C ATOM 464 C CYS A 61 3.456 -1.071 -1.511 1.00 0.00 C ATOM 465 O CYS A 61 4.170 -0.845 -2.495 1.00 0.00 O ATOM 466 CB CYS A 61 0.890 -1.092 -1.909 1.00 0.00 C ATOM 467 SG CYS A 61 -0.657 -0.582 -1.138 1.00 0.00 S ATOM 0 H CYS A 61 1.162 1.166 -2.603 1.00 0.00 H new ATOM 0 HA CYS A 61 2.045 -0.140 -0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.826 -0.952 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.054 -2.155 -1.735 1.00 0.00 H new ATOM 468 N PRO A 62 3.874 -1.976 -0.565 1.00 0.00 N ATOM 469 CA PRO A 62 5.211 -2.652 -0.621 1.00 0.00 C ATOM 470 C PRO A 62 5.444 -3.655 -1.809 1.00 0.00 C ATOM 471 O PRO A 62 4.643 -3.746 -2.735 1.00 0.00 O ATOM 472 CB PRO A 62 5.278 -3.274 0.795 1.00 0.00 C ATOM 473 CG PRO A 62 3.827 -3.535 1.193 1.00 0.00 C ATOM 474 CD PRO A 62 3.086 -2.326 0.637 1.00 0.00 C ATOM 0 HA PRO A 62 6.027 -1.966 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.856 -4.198 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.763 -2.597 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.454 -4.466 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.715 -3.613 2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.053 -2.566 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.058 -1.505 1.354 1.00 0.00 H new ATOM 475 N CYS A 63 6.578 -4.371 -1.819 1.00 0.00 N ATOM 476 CA CYS A 63 6.919 -5.323 -2.910 1.00 0.00 C ATOM 477 C CYS A 63 6.197 -6.714 -2.779 1.00 0.00 C ATOM 478 O CYS A 63 5.791 -7.142 -1.691 1.00 0.00 O ATOM 479 CB CYS A 63 8.459 -5.445 -2.885 1.00 0.00 C ATOM 480 SG CYS A 63 9.273 -3.847 -3.122 1.00 0.00 S ATOM 0 H CYS A 63 7.283 -4.315 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 63 6.563 -4.950 -3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.773 -5.873 -1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.780 -6.134 -3.666 1.00 0.00 H new ATOM 481 N GLU A 64 6.033 -7.417 -3.911 1.00 0.00 N ATOM 482 CA GLU A 64 5.281 -8.704 -3.967 1.00 0.00 C ATOM 483 C GLU A 64 5.985 -9.939 -3.281 1.00 0.00 C ATOM 484 O GLU A 64 7.066 -9.837 -2.693 1.00 0.00 O ATOM 485 CB GLU A 64 4.901 -8.884 -5.476 1.00 0.00 C ATOM 486 CG GLU A 64 6.001 -9.314 -6.492 1.00 0.00 C ATOM 487 CD GLU A 64 6.272 -10.817 -6.547 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.450 -11.642 -6.930 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.504 -11.141 -6.079 1.00 0.00 O ATOM 0 H GLU A 64 6.410 -7.122 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 64 4.386 -8.660 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.101 -9.623 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.485 -7.939 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.710 -8.975 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.929 -8.801 -6.240 1.00 0.00 H new ATOM 490 N ARG A 65 5.347 -11.125 -3.333 1.00 0.00 N ATOM 491 CA ARG A 65 5.845 -12.358 -2.655 1.00 0.00 C ATOM 492 C ARG A 65 7.208 -12.861 -3.246 1.00 0.00 C ATOM 493 O ARG A 65 7.325 -13.300 -4.394 1.00 0.00 O ATOM 494 CB ARG A 65 4.726 -13.438 -2.701 1.00 0.00 C ATOM 495 CG ARG A 65 3.799 -13.480 -1.456 1.00 0.00 C ATOM 496 CD ARG A 65 2.823 -12.304 -1.254 1.00 0.00 C ATOM 497 NE ARG A 65 3.489 -11.078 -0.732 1.00 0.00 N ATOM 498 CZ ARG A 65 3.046 -10.299 0.247 1.00 0.00 C ATOM 499 NH1 ARG A 65 1.999 -10.559 0.983 1.00 0.00 N ATOM 500 NH2 ARG A 65 3.702 -9.208 0.494 1.00 0.00 N ATOM 0 H ARG A 65 4.474 -11.264 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 65 6.068 -12.129 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.113 -13.266 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.192 -14.416 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.214 -14.398 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.430 -13.550 -0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.340 -12.072 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.037 -12.606 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 65 4.371 -10.811 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.461 -11.411 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.719 -9.911 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.528 -8.974 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.392 -8.584 1.239 1.00 0.00 H new ATOM 501 N GLY A 66 8.238 -12.754 -2.401 1.00 0.00 N ATOM 502 CA GLY A 66 9.653 -13.035 -2.793 1.00 0.00 C ATOM 503 C GLY A 66 10.468 -11.868 -3.422 1.00 0.00 C ATOM 504 O GLY A 66 11.385 -12.125 -4.206 1.00 0.00 O ATOM 0 H GLY A 66 8.132 -12.472 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.186 -13.378 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.648 -13.863 -3.502 1.00 0.00 H new ATOM 505 N LEU A 67 10.168 -10.607 -3.072 1.00 0.00 N ATOM 506 CA LEU A 67 10.818 -9.406 -3.666 1.00 0.00 C ATOM 507 C LEU A 67 11.072 -8.306 -2.578 1.00 0.00 C ATOM 508 O LEU A 67 10.246 -8.090 -1.684 1.00 0.00 O ATOM 509 CB LEU A 67 9.888 -8.909 -4.813 1.00 0.00 C ATOM 510 CG LEU A 67 10.591 -8.100 -5.927 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.376 -9.024 -6.866 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.571 -7.331 -6.766 1.00 0.00 C ATOM 0 H LEU A 67 9.466 -10.381 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 67 11.802 -9.648 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.402 -9.773 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.101 -8.292 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 67 11.272 -7.405 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.861 -8.429 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.132 -9.564 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.694 -9.736 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.089 -6.769 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.876 -8.033 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.020 -6.642 -6.127 1.00 0.00 H new ATOM 513 N THR A 68 12.215 -7.602 -2.640 1.00 0.00 N ATOM 514 CA THR A 68 12.601 -6.579 -1.622 1.00 0.00 C ATOM 515 C THR A 68 12.425 -5.110 -2.127 1.00 0.00 C ATOM 516 O THR A 68 12.452 -4.832 -3.324 1.00 0.00 O ATOM 517 CB THR A 68 14.073 -6.895 -1.176 1.00 0.00 C ATOM 518 OG1 THR A 68 14.174 -6.738 0.235 1.00 0.00 O ATOM 519 CG2 THR A 68 15.187 -6.018 -1.765 1.00 0.00 C ATOM 0 H THR A 68 12.901 -7.716 -3.387 1.00 0.00 H new ATOM 0 HA THR A 68 11.928 -6.643 -0.767 1.00 0.00 H new ATOM 0 HB THR A 68 14.235 -7.907 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.090 -6.935 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.151 -6.343 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.186 -6.109 -2.851 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.016 -4.978 -1.488 1.00 0.00 H new ATOM 520 N CYS A 69 12.310 -4.168 -1.186 1.00 0.00 N ATOM 521 CA CYS A 69 12.288 -2.709 -1.494 1.00 0.00 C ATOM 522 C CYS A 69 13.776 -2.196 -1.430 1.00 0.00 C ATOM 523 O CYS A 69 14.294 -1.924 -0.344 1.00 0.00 O ATOM 524 CB CYS A 69 11.250 -2.106 -0.522 1.00 0.00 C ATOM 525 SG CYS A 69 10.545 -0.558 -1.117 1.00 0.00 S ATOM 0 H CYS A 69 12.229 -4.379 -0.191 1.00 0.00 H new ATOM 0 HA CYS A 69 11.961 -2.411 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.448 -2.827 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.722 -1.936 0.445 1.00 0.00 H new ATOM 526 N GLU A 70 14.479 -2.125 -2.572 1.00 0.00 N ATOM 527 CA GLU A 70 15.949 -1.841 -2.617 1.00 0.00 C ATOM 528 C GLU A 70 16.420 -0.374 -2.899 1.00 0.00 C ATOM 529 O GLU A 70 17.227 0.156 -2.130 1.00 0.00 O ATOM 530 CB GLU A 70 16.487 -2.847 -3.683 1.00 0.00 C ATOM 531 CG GLU A 70 18.029 -2.933 -3.831 1.00 0.00 C ATOM 532 CD GLU A 70 18.473 -3.874 -4.946 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.520 -3.255 -6.156 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.738 -5.058 -4.779 1.00 0.00 O ATOM 0 H GLU A 70 14.061 -2.260 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 70 16.354 -1.965 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.111 -3.840 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.065 -2.578 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.425 -1.936 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.460 -3.269 -2.888 1.00 0.00 H new ATOM 625 N PHE A 84 10.638 7.108 -0.843 1.00 0.00 N ATOM 626 CA PHE A 84 10.311 5.677 -1.125 1.00 0.00 C ATOM 627 C PHE A 84 11.415 4.937 -1.961 1.00 0.00 C ATOM 628 O PHE A 84 12.322 5.559 -2.521 1.00 0.00 O ATOM 629 CB PHE A 84 8.933 5.705 -1.873 1.00 0.00 C ATOM 630 CG PHE A 84 7.685 6.351 -1.219 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.475 6.344 0.165 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.781 7.038 -2.037 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.439 7.085 0.726 1.00 0.00 C ATOM 634 CE2 PHE A 84 5.724 7.750 -1.479 1.00 0.00 C ATOM 635 CZ PHE A 84 5.583 7.808 -0.097 1.00 0.00 C ATOM 0 HA PHE A 84 10.262 5.107 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.095 6.214 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.674 4.672 -2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.122 5.759 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.905 7.015 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.301 7.098 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.015 8.256 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.805 8.417 0.339 1.00 0.00 H new ATOM 636 N GLY A 85 11.344 3.594 -2.055 1.00 0.00 N ATOM 637 CA GLY A 85 12.368 2.779 -2.775 1.00 0.00 C ATOM 638 C GLY A 85 11.891 1.832 -3.887 1.00 0.00 C ATOM 639 O GLY A 85 10.744 1.398 -3.913 1.00 0.00 O ATOM 0 H GLY A 85 10.591 3.042 -1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.094 3.466 -3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.899 2.182 -2.034 1.00 0.00 H new ATOM 640 N ILE A 86 12.803 1.422 -4.776 1.00 0.00 N ATOM 641 CA ILE A 86 12.429 0.631 -5.991 1.00 0.00 C ATOM 642 C ILE A 86 12.524 -0.902 -5.673 1.00 0.00 C ATOM 643 O ILE A 86 13.545 -1.406 -5.196 1.00 0.00 O ATOM 644 CB ILE A 86 13.338 1.008 -7.222 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.367 2.522 -7.598 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.917 0.219 -8.491 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.060 3.104 -8.169 1.00 0.00 C ATOM 0 H ILE A 86 13.801 1.614 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 86 11.401 0.874 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 86 14.340 0.739 -6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.636 3.091 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.160 2.679 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.561 0.499 -9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.012 -0.850 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.882 0.453 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.200 4.162 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.793 2.572 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.261 2.991 -7.437 1.00 0.00 H new ATOM 648 N CYS A 87 11.454 -1.640 -5.997 1.00 0.00 N ATOM 649 CA CYS A 87 11.375 -3.109 -5.824 1.00 0.00 C ATOM 650 C CYS A 87 12.385 -3.936 -6.691 1.00 0.00 C ATOM 651 O CYS A 87 12.416 -3.774 -7.914 1.00 0.00 O ATOM 652 CB CYS A 87 9.920 -3.461 -6.183 1.00 0.00 C ATOM 653 SG CYS A 87 8.761 -3.016 -4.876 1.00 0.00 S ATOM 0 H CYS A 87 10.605 -1.235 -6.392 1.00 0.00 H new ATOM 0 HA CYS A 87 11.654 -3.375 -4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.641 -2.946 -7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.846 -4.530 -6.381 1.00 0.00 H new ATOM 654 N HIS A 88 13.221 -4.799 -6.080 1.00 0.00 N ATOM 655 CA HIS A 88 14.140 -5.700 -6.824 1.00 0.00 C ATOM 656 C HIS A 88 14.290 -7.092 -6.124 1.00 0.00 C ATOM 657 O HIS A 88 14.024 -7.288 -4.934 1.00 0.00 O ATOM 658 CB HIS A 88 15.509 -4.997 -6.991 1.00 0.00 C ATOM 659 CG HIS A 88 15.588 -3.927 -8.081 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.725 -4.249 -9.425 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.442 -2.536 -7.919 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.645 -2.990 -9.965 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.511 -1.905 -9.147 1.00 0.00 N ATOM 0 H HIS A 88 13.283 -4.895 -5.066 1.00 0.00 H new ATOM 0 HA HIS A 88 13.716 -5.900 -7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.777 -4.538 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.261 -5.757 -7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.297 -2.035 -6.973 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.688 -2.857 -11.036 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.473 -0.912 -9.377 1.00 0.00 H new ATOM 664 N ASN A 89 14.766 -8.070 -6.901 1.00 0.00 N ATOM 665 CA ASN A 89 15.079 -9.434 -6.414 1.00 0.00 C ATOM 666 C ASN A 89 16.609 -9.564 -6.124 1.00 0.00 C ATOM 667 O ASN A 89 17.461 -9.223 -6.950 1.00 0.00 O ATOM 668 CB ASN A 89 14.602 -10.402 -7.521 1.00 0.00 C ATOM 669 CG ASN A 89 14.605 -11.882 -7.139 1.00 0.00 C ATOM 670 OD1 ASN A 89 15.588 -12.589 -7.310 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.538 -12.403 -6.592 1.00 0.00 N ATOM 0 H ASN A 89 14.950 -7.945 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 89 14.577 -9.665 -5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.591 -10.122 -7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.237 -10.268 -8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.534 -13.385 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.709 -11.828 -6.442 1.00 0.00 H new ATOM 672 N VAL A 90 16.939 -10.097 -4.945 1.00 0.00 N ATOM 673 CA VAL A 90 18.362 -10.275 -4.506 1.00 0.00 C ATOM 674 C VAL A 90 18.731 -11.800 -4.610 1.00 0.00 C ATOM 675 O VAL A 90 18.905 -12.520 -3.622 1.00 0.00 O ATOM 676 CB VAL A 90 18.559 -9.634 -3.087 1.00 0.00 C ATOM 677 CG1 VAL A 90 20.026 -9.685 -2.597 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.136 -8.144 -2.980 1.00 0.00 C ATOM 0 H VAL A 90 16.253 -10.419 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 90 19.062 -9.748 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 90 17.905 -10.250 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.096 -9.226 -1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.354 -10.723 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.662 -9.142 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.309 -7.789 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.724 -7.548 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.078 -8.048 -3.223 1.00 0.00 H new