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 20 SER OG : rot 162:sc= 1.51 USER MOD Set 1.2: A 26 ASN : amide:sc= 0.983 K(o=3.8,f=2.7) USER MOD Set 1.3: A 58 TYR OH : rot 142:sc= 1.27 USER MOD Set 2.1: A 25 SER OG : rot -140:sc= -0.207 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 174:sc= 0.0824 (180deg=-0.00517) USER MOD Set 3.1: A 10 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Set 3.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 ASN : amide:sc= 0 X(o=0.15,f=0.029) USER MOD Set 4.2: A 22 GLN : amide:sc= 0.145 K(o=0.15,f=-3.7!) USER MOD Single : A 29 GLN : amide:sc= 0.38 X(o=0.38,f=-0.096) USER MOD Single : A 30 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.8) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 38:sc= 0.643 USER MOD Single : A 37 SER OG : rot 150:sc= -0.51 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 169:sc= 0.117 USER MOD Single : A 53 THR OG1 : rot 4:sc= 1.23 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.284 USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= 0.0294 (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=-0.0038) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.034 -10.114 5.817 1.00 0.00 N ATOM 70 CA ASN A 10 -9.466 -10.430 4.422 1.00 0.00 C ATOM 71 C ASN A 10 -10.395 -9.322 3.823 1.00 0.00 C ATOM 72 O ASN A 10 -11.582 -9.249 4.155 1.00 0.00 O ATOM 73 CB ASN A 10 -10.161 -11.824 4.374 1.00 0.00 C ATOM 74 CG ASN A 10 -9.212 -13.006 4.182 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.674 -13.225 3.102 1.00 0.00 O ATOM 76 ND2 ASN A 10 -8.981 -13.805 5.190 1.00 0.00 N ATOM 0 HA ASN A 10 -8.570 -10.460 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -10.717 -11.969 5.300 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.888 -11.824 3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.357 -14.604 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.425 -13.630 6.092 1.00 0.00 H new ATOM 77 N LEU A 11 -9.889 -8.496 2.892 1.00 0.00 N ATOM 78 CA LEU A 11 -10.686 -7.476 2.171 1.00 0.00 C ATOM 79 C LEU A 11 -9.966 -7.229 0.793 1.00 0.00 C ATOM 80 O LEU A 11 -8.805 -6.806 0.730 1.00 0.00 O ATOM 81 CB LEU A 11 -10.895 -6.272 3.137 1.00 0.00 C ATOM 82 CG LEU A 11 -11.162 -4.904 2.496 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.596 -4.818 1.960 1.00 0.00 C ATOM 84 CD2 LEU A 11 -10.918 -3.762 3.494 1.00 0.00 C ATOM 0 H LEU A 11 -8.908 -8.514 2.613 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.702 -7.761 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.731 -6.507 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.009 -6.184 3.766 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.465 -4.797 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.758 -3.838 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.750 -5.592 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.300 -4.963 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.116 -2.806 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.582 -3.879 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.882 -3.790 3.832 1.00 0.00 H new ATOM 85 N ASP A 12 -10.669 -7.510 -0.316 1.00 0.00 N ATOM 86 CA ASP A 12 -10.099 -7.464 -1.693 1.00 0.00 C ATOM 87 C ASP A 12 -9.853 -6.029 -2.278 1.00 0.00 C ATOM 88 O ASP A 12 -10.363 -5.011 -1.801 1.00 0.00 O ATOM 89 CB ASP A 12 -11.062 -8.279 -2.607 1.00 0.00 C ATOM 90 CG ASP A 12 -11.143 -9.782 -2.338 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.220 -10.490 -3.051 1.00 0.00 O ATOM 92 OD2 ASP A 12 -11.948 -10.279 -1.559 1.00 0.00 O ATOM 0 H ASP A 12 -11.653 -7.778 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.097 -7.892 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.063 -7.860 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.756 -8.133 -3.643 1.00 0.00 H new ATOM 93 N GLU A 13 -9.060 -5.984 -3.361 1.00 0.00 N ATOM 94 CA GLU A 13 -8.605 -4.724 -4.009 1.00 0.00 C ATOM 95 C GLU A 13 -9.763 -3.961 -4.738 1.00 0.00 C ATOM 96 O GLU A 13 -10.549 -4.547 -5.488 1.00 0.00 O ATOM 97 CB GLU A 13 -7.418 -5.028 -4.967 1.00 0.00 C ATOM 98 CG GLU A 13 -6.150 -5.684 -4.350 1.00 0.00 C ATOM 99 CD GLU A 13 -6.123 -7.199 -4.107 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.091 -7.951 -4.201 1.00 0.00 O ATOM 101 OE2 GLU A 13 -4.882 -7.627 -3.759 1.00 0.00 O ATOM 0 H GLU A 13 -8.709 -6.823 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.263 -4.049 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.783 -5.681 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.118 -4.092 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.309 -5.443 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.963 -5.197 -3.393 1.00 0.00 H new ATOM 102 N GLY A 14 -9.851 -2.645 -4.500 1.00 0.00 N ATOM 103 CA GLY A 14 -10.980 -1.800 -5.001 1.00 0.00 C ATOM 104 C GLY A 14 -12.063 -1.379 -3.970 1.00 0.00 C ATOM 105 O GLY A 14 -12.895 -0.530 -4.287 1.00 0.00 O ATOM 0 H GLY A 14 -9.157 -2.126 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.557 -0.894 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.474 -2.340 -5.808 1.00 0.00 H new ATOM 106 N GLU A 15 -12.060 -1.948 -2.755 1.00 0.00 N ATOM 107 CA GLU A 15 -13.023 -1.612 -1.675 1.00 0.00 C ATOM 108 C GLU A 15 -12.385 -0.615 -0.650 1.00 0.00 C ATOM 109 O GLU A 15 -11.191 -0.687 -0.337 1.00 0.00 O ATOM 110 CB GLU A 15 -13.429 -2.946 -0.986 1.00 0.00 C ATOM 111 CG GLU A 15 -14.330 -3.914 -1.799 1.00 0.00 C ATOM 112 CD GLU A 15 -15.783 -3.468 -1.942 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.173 -2.646 -2.762 1.00 0.00 O ATOM 114 OE2 GLU A 15 -16.603 -4.080 -1.045 1.00 0.00 O ATOM 0 H GLU A 15 -11.385 -2.663 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.903 -1.117 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.517 -3.479 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.944 -2.704 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.903 -4.036 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.311 -4.894 -1.321 1.00 0.00 H new ATOM 115 N LEU A 16 -13.196 0.313 -0.118 1.00 0.00 N ATOM 116 CA LEU A 16 -12.713 1.388 0.801 1.00 0.00 C ATOM 117 C LEU A 16 -12.211 0.857 2.196 1.00 0.00 C ATOM 118 O LEU A 16 -12.838 0.006 2.833 1.00 0.00 O ATOM 119 CB LEU A 16 -13.840 2.452 0.974 1.00 0.00 C ATOM 120 CG LEU A 16 -13.990 3.514 -0.152 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.685 2.972 -1.411 1.00 0.00 C ATOM 122 CD2 LEU A 16 -14.790 4.725 0.358 1.00 0.00 C ATOM 0 H LEU A 16 -14.198 0.351 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.835 1.840 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.790 1.926 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.668 2.977 1.914 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.975 3.802 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.757 3.764 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.106 2.143 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.685 2.624 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.887 5.460 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.781 4.399 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -14.270 5.175 1.204 1.00 0.00 H new ATOM 123 N CYS A 17 -11.067 1.390 2.655 1.00 0.00 N ATOM 124 CA CYS A 17 -10.410 0.983 3.926 1.00 0.00 C ATOM 125 C CYS A 17 -9.872 2.212 4.731 1.00 0.00 C ATOM 126 O CYS A 17 -9.370 3.190 4.166 1.00 0.00 O ATOM 127 CB CYS A 17 -9.266 0.012 3.551 1.00 0.00 C ATOM 128 SG CYS A 17 -8.181 0.724 2.291 1.00 0.00 S ATOM 0 H CYS A 17 -10.561 2.122 2.157 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.133 0.497 4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.684 -0.228 4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.687 -0.924 3.184 1.00 0.00 H new ATOM 129 N LEU A 18 -9.942 2.141 6.071 1.00 0.00 N ATOM 130 CA LEU A 18 -9.391 3.202 6.963 1.00 0.00 C ATOM 131 C LEU A 18 -7.855 3.031 7.204 1.00 0.00 C ATOM 132 O LEU A 18 -7.105 3.953 6.904 1.00 0.00 O ATOM 133 CB LEU A 18 -10.196 3.232 8.299 1.00 0.00 C ATOM 134 CG LEU A 18 -11.641 3.789 8.248 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.362 3.499 9.575 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.667 5.307 7.991 1.00 0.00 C ATOM 0 H LEU A 18 -10.373 1.363 6.571 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.507 4.166 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.241 2.215 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.632 3.825 9.019 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.148 3.292 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.377 3.894 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.398 2.422 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.823 3.975 10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.700 5.654 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.133 5.821 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.186 5.523 7.037 1.00 0.00 H new ATOM 137 N ASN A 19 -7.396 1.966 7.881 1.00 0.00 N ATOM 138 CA ASN A 19 -5.943 1.654 8.062 1.00 0.00 C ATOM 139 C ASN A 19 -5.412 0.577 7.053 1.00 0.00 C ATOM 140 O ASN A 19 -6.192 -0.189 6.479 1.00 0.00 O ATOM 141 CB ASN A 19 -5.729 1.196 9.543 1.00 0.00 C ATOM 142 CG ASN A 19 -6.283 2.089 10.660 1.00 0.00 C ATOM 143 OD1 ASN A 19 -7.352 1.849 11.205 1.00 0.00 O ATOM 144 ND2 ASN A 19 -5.613 3.146 11.023 1.00 0.00 N ATOM 0 H ASN A 19 -8.013 1.286 8.325 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.365 2.553 7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.174 0.207 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.657 1.083 9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.981 3.758 11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.720 3.361 10.579 1.00 0.00 H new ATOM 145 N SER A 20 -4.078 0.421 6.903 1.00 0.00 N ATOM 146 CA SER A 20 -3.509 -0.700 6.073 1.00 0.00 C ATOM 147 C SER A 20 -3.555 -2.131 6.713 1.00 0.00 C ATOM 148 O SER A 20 -3.377 -3.125 6.003 1.00 0.00 O ATOM 149 CB SER A 20 -2.098 -0.347 5.591 1.00 0.00 C ATOM 150 OG SER A 20 -1.724 -1.264 4.569 1.00 0.00 O ATOM 0 H SER A 20 -3.379 1.031 7.327 1.00 0.00 H new ATOM 0 HA SER A 20 -4.187 -0.782 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.073 0.674 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.392 -0.396 6.420 1.00 0.00 H new ATOM 0 HG SER A 20 -0.972 -0.897 4.059 1.00 0.00 H new ATOM 151 N ALA A 21 -3.828 -2.231 8.021 1.00 0.00 N ATOM 152 CA ALA A 21 -4.069 -3.520 8.723 1.00 0.00 C ATOM 153 C ALA A 21 -5.540 -4.081 8.595 1.00 0.00 C ATOM 154 O ALA A 21 -6.057 -4.746 9.494 1.00 0.00 O ATOM 155 CB ALA A 21 -3.722 -3.163 10.174 1.00 0.00 C ATOM 0 H ALA A 21 -3.891 -1.419 8.635 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.478 -4.330 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.859 -4.040 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.684 -2.834 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.376 -2.361 10.518 1.00 0.00 H new ATOM 156 N GLN A 22 -6.197 -3.787 7.468 1.00 0.00 N ATOM 157 CA GLN A 22 -7.615 -4.144 7.194 1.00 0.00 C ATOM 158 C GLN A 22 -7.856 -4.897 5.837 1.00 0.00 C ATOM 159 O GLN A 22 -8.868 -5.591 5.761 1.00 0.00 O ATOM 160 CB GLN A 22 -8.428 -2.819 7.269 1.00 0.00 C ATOM 161 CG GLN A 22 -8.536 -2.177 8.681 1.00 0.00 C ATOM 162 CD GLN A 22 -9.349 -0.887 8.758 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.715 -0.251 7.776 1.00 0.00 O ATOM 164 NE2 GLN A 22 -9.625 -0.421 9.943 1.00 0.00 N ATOM 0 H GLN A 22 -5.758 -3.283 6.697 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.943 -4.867 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.972 -2.095 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.435 -3.010 6.898 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.980 -2.906 9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.529 -1.973 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.330 -0.934 10.774 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.136 0.456 10.040 1.00 0.00 H new ATOM 165 N CYS A 23 -6.997 -4.794 4.788 1.00 0.00 N ATOM 166 CA CYS A 23 -7.169 -5.558 3.512 1.00 0.00 C ATOM 167 C CYS A 23 -6.824 -7.101 3.654 1.00 0.00 C ATOM 168 O CYS A 23 -7.153 -7.709 4.673 1.00 0.00 O ATOM 169 CB CYS A 23 -6.370 -4.798 2.429 1.00 0.00 C ATOM 170 SG CYS A 23 -6.813 -3.050 2.285 1.00 0.00 S ATOM 0 H CYS A 23 -6.176 -4.189 4.796 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.217 -5.595 3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.306 -4.876 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.529 -5.284 1.466 1.00 0.00 H new ATOM 171 N LYS A 24 -6.248 -7.789 2.644 1.00 0.00 N ATOM 172 CA LYS A 24 -5.863 -9.230 2.750 1.00 0.00 C ATOM 173 C LYS A 24 -4.482 -9.473 3.414 1.00 0.00 C ATOM 174 O LYS A 24 -4.391 -10.069 4.487 1.00 0.00 O ATOM 175 CB LYS A 24 -6.020 -9.889 1.348 1.00 0.00 C ATOM 176 CG LYS A 24 -7.479 -10.139 0.907 1.00 0.00 C ATOM 177 CD LYS A 24 -7.661 -10.668 -0.527 1.00 0.00 C ATOM 178 CE LYS A 24 -7.025 -12.032 -0.858 1.00 0.00 C ATOM 179 NZ LYS A 24 -7.628 -13.130 -0.073 1.00 0.00 N ATOM 0 H LYS A 24 -6.035 -7.374 1.737 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.544 -9.721 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.536 -9.253 0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.488 -10.840 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.931 -10.851 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.033 -9.206 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.730 -10.735 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.252 -9.928 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.144 -12.239 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.954 -11.990 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.171 -14.029 -0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.492 -12.947 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.645 -13.188 -0.281 1.00 0.00 H new ATOM 180 N SER A 25 -3.400 -9.072 2.754 1.00 0.00 N ATOM 181 CA SER A 25 -2.039 -9.150 3.345 1.00 0.00 C ATOM 182 C SER A 25 -1.733 -7.896 4.232 1.00 0.00 C ATOM 183 O SER A 25 -1.683 -7.983 5.459 1.00 0.00 O ATOM 184 CB SER A 25 -1.056 -9.445 2.180 1.00 0.00 C ATOM 185 OG SER A 25 -1.136 -8.469 1.135 1.00 0.00 O ATOM 0 H SER A 25 -3.424 -8.688 1.809 1.00 0.00 H new ATOM 0 HA SER A 25 -1.931 -9.965 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.038 -9.476 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.270 -10.431 1.769 1.00 0.00 H new ATOM 0 HG SER A 25 -1.069 -8.915 0.265 1.00 0.00 H new ATOM 186 N ASN A 26 -1.482 -6.755 3.576 1.00 0.00 N ATOM 187 CA ASN A 26 -1.182 -5.441 4.232 1.00 0.00 C ATOM 188 C ASN A 26 -1.128 -4.309 3.141 1.00 0.00 C ATOM 189 O ASN A 26 -0.023 -3.913 2.744 1.00 0.00 O ATOM 190 CB ASN A 26 0.136 -5.526 5.079 1.00 0.00 C ATOM 191 CG ASN A 26 0.536 -4.287 5.892 1.00 0.00 C ATOM 192 OD1 ASN A 26 -0.117 -3.249 5.929 1.00 0.00 O ATOM 193 ND2 ASN A 26 1.653 -4.350 6.570 1.00 0.00 N ATOM 0 H ASN A 26 -1.478 -6.701 2.557 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.980 -5.191 4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.039 -6.364 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.956 -5.764 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.965 -3.546 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.212 -5.203 6.554 1.00 0.00 H new ATOM 194 N CYS A 27 -2.258 -3.785 2.618 1.00 0.00 N ATOM 195 CA CYS A 27 -2.199 -2.610 1.698 1.00 0.00 C ATOM 196 C CYS A 27 -3.527 -1.804 1.539 1.00 0.00 C ATOM 197 O CYS A 27 -4.413 -2.148 0.748 1.00 0.00 O ATOM 198 CB CYS A 27 -1.655 -2.916 0.278 1.00 0.00 C ATOM 199 SG CYS A 27 -1.179 -1.295 -0.392 1.00 0.00 S ATOM 0 H CYS A 27 -3.197 -4.137 2.804 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.481 -1.987 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.802 -3.594 0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.413 -3.394 -0.342 1.00 0.00 H new ATOM 200 N CYS A 28 -3.630 -0.698 2.287 1.00 0.00 N ATOM 201 CA CYS A 28 -4.704 0.308 2.100 1.00 0.00 C ATOM 202 C CYS A 28 -3.988 1.444 1.303 1.00 0.00 C ATOM 203 O CYS A 28 -2.993 2.029 1.747 1.00 0.00 O ATOM 204 CB CYS A 28 -5.305 0.767 3.431 1.00 0.00 C ATOM 205 SG CYS A 28 -6.738 1.818 3.140 1.00 0.00 S ATOM 0 H CYS A 28 -2.979 -0.468 3.038 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.573 -0.076 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.596 -0.100 4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.557 1.312 4.007 1.00 0.00 H new ATOM 206 N GLN A 29 -4.466 1.691 0.090 1.00 0.00 N ATOM 207 CA GLN A 29 -3.846 2.618 -0.877 1.00 0.00 C ATOM 208 C GLN A 29 -4.448 4.050 -0.845 1.00 0.00 C ATOM 209 O GLN A 29 -5.598 4.286 -1.228 1.00 0.00 O ATOM 210 CB GLN A 29 -4.030 1.891 -2.234 1.00 0.00 C ATOM 211 CG GLN A 29 -3.549 2.583 -3.524 1.00 0.00 C ATOM 212 CD GLN A 29 -2.062 2.894 -3.592 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.172 2.154 -3.183 1.00 0.00 O ATOM 214 NE2 GLN A 29 -1.790 4.037 -4.127 1.00 0.00 N ATOM 0 H GLN A 29 -5.313 1.248 -0.266 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.798 2.816 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.518 0.931 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.092 1.678 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.808 1.949 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.102 3.515 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.545 4.637 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.820 4.340 -4.216 1.00 0.00 H new ATOM 215 N HIS A 30 -3.614 4.997 -0.410 1.00 0.00 N ATOM 216 CA HIS A 30 -3.940 6.437 -0.366 1.00 0.00 C ATOM 217 C HIS A 30 -3.734 7.103 -1.762 1.00 0.00 C ATOM 218 O HIS A 30 -2.711 6.923 -2.431 1.00 0.00 O ATOM 219 CB HIS A 30 -3.006 7.085 0.692 1.00 0.00 C ATOM 220 CG HIS A 30 -3.556 8.317 1.397 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.907 8.317 2.738 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.657 9.607 0.858 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.186 9.646 2.893 1.00 0.00 C ATOM 224 NE2 HIS A 30 -4.079 10.494 1.829 1.00 0.00 N ATOM 0 H HIS A 30 -2.675 4.788 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.987 6.581 -0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.767 6.335 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.070 7.357 0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.437 9.869 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.491 10.025 3.857 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.259 11.496 1.768 1.00 0.00 H new ATOM 225 N ASP A 31 -4.704 7.919 -2.161 1.00 0.00 N ATOM 226 CA ASP A 31 -4.637 8.727 -3.400 1.00 0.00 C ATOM 227 C ASP A 31 -3.645 9.944 -3.289 1.00 0.00 C ATOM 228 O ASP A 31 -2.553 9.862 -3.855 1.00 0.00 O ATOM 229 CB ASP A 31 -6.101 9.045 -3.833 1.00 0.00 C ATOM 230 CG ASP A 31 -6.999 9.859 -2.893 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.898 9.829 -1.672 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.912 10.610 -3.571 1.00 0.00 O ATOM 0 H ASP A 31 -5.570 8.048 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.179 8.168 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.054 9.576 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.601 8.095 -4.023 1.00 0.00 H new ATOM 233 N THR A 32 -3.980 11.050 -2.592 1.00 0.00 N ATOM 234 CA THR A 32 -3.094 12.260 -2.512 1.00 0.00 C ATOM 235 C THR A 32 -3.606 13.278 -1.432 1.00 0.00 C ATOM 236 O THR A 32 -4.399 14.176 -1.728 1.00 0.00 O ATOM 237 CB THR A 32 -2.862 12.934 -3.912 1.00 0.00 C ATOM 238 OG1 THR A 32 -2.195 14.181 -3.764 1.00 0.00 O ATOM 239 CG2 THR A 32 -4.127 13.222 -4.728 1.00 0.00 C ATOM 0 H THR A 32 -4.853 11.143 -2.073 1.00 0.00 H new ATOM 0 HA THR A 32 -2.114 11.913 -2.185 1.00 0.00 H new ATOM 0 HB THR A 32 -2.274 12.192 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.058 14.585 -4.646 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.851 13.687 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.655 12.288 -4.922 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.775 13.896 -4.168 1.00 0.00 H new ATOM 240 N ILE A 33 -3.102 13.174 -0.185 1.00 0.00 N ATOM 241 CA ILE A 33 -3.383 14.122 0.953 1.00 0.00 C ATOM 242 C ILE A 33 -4.866 13.974 1.471 1.00 0.00 C ATOM 243 O ILE A 33 -5.058 13.482 2.587 1.00 0.00 O ATOM 244 CB ILE A 33 -2.870 15.594 0.687 1.00 0.00 C ATOM 245 CG1 ILE A 33 -1.321 15.735 0.498 1.00 0.00 C ATOM 246 CG2 ILE A 33 -3.222 16.540 1.868 1.00 0.00 C ATOM 247 CD1 ILE A 33 -0.736 15.301 -0.857 1.00 0.00 C ATOM 0 H ILE A 33 -2.472 12.417 0.082 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.770 13.824 1.803 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.373 15.861 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.054 16.779 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.831 15.154 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.855 17.543 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.304 16.570 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.755 16.171 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.344 15.451 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.955 14.247 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.182 15.897 -1.653 1.00 0.00 H new ATOM 248 N LEU A 34 -5.899 14.371 0.700 1.00 0.00 N ATOM 249 CA LEU A 34 -7.332 14.139 1.056 1.00 0.00 C ATOM 250 C LEU A 34 -7.607 12.597 0.948 1.00 0.00 C ATOM 251 O LEU A 34 -7.622 12.034 -0.148 1.00 0.00 O ATOM 252 CB LEU A 34 -8.263 14.959 0.114 1.00 0.00 C ATOM 253 CG LEU A 34 -8.403 16.484 0.378 1.00 0.00 C ATOM 254 CD1 LEU A 34 -7.195 17.299 -0.115 1.00 0.00 C ATOM 255 CD2 LEU A 34 -9.663 17.025 -0.319 1.00 0.00 C ATOM 0 H LEU A 34 -5.774 14.861 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.539 14.474 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.905 14.828 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.259 14.518 0.162 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.467 16.599 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.357 18.355 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.294 16.959 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.077 17.161 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.753 18.094 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.587 16.853 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.543 16.512 0.070 1.00 0.00 H new ATOM 256 N SER A 35 -7.805 11.929 2.092 1.00 0.00 N ATOM 257 CA SER A 35 -7.890 10.446 2.158 1.00 0.00 C ATOM 258 C SER A 35 -9.149 9.696 1.603 1.00 0.00 C ATOM 259 O SER A 35 -10.063 9.315 2.345 1.00 0.00 O ATOM 260 CB SER A 35 -7.642 10.102 3.654 1.00 0.00 C ATOM 261 OG SER A 35 -8.763 10.437 4.479 1.00 0.00 O ATOM 0 H SER A 35 -7.911 12.388 2.997 1.00 0.00 H new ATOM 0 HA SER A 35 -7.152 10.072 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.428 9.038 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.761 10.637 4.007 1.00 0.00 H new ATOM 0 HG SER A 35 -9.594 10.242 3.997 1.00 0.00 H new ATOM 262 N LEU A 36 -9.163 9.452 0.287 1.00 0.00 N ATOM 263 CA LEU A 36 -10.168 8.568 -0.372 1.00 0.00 C ATOM 264 C LEU A 36 -9.354 7.259 -0.676 1.00 0.00 C ATOM 265 O LEU A 36 -8.850 7.036 -1.783 1.00 0.00 O ATOM 266 CB LEU A 36 -10.778 9.296 -1.598 1.00 0.00 C ATOM 267 CG LEU A 36 -11.879 8.509 -2.353 1.00 0.00 C ATOM 268 CD1 LEU A 36 -13.180 8.368 -1.544 1.00 0.00 C ATOM 269 CD2 LEU A 36 -12.196 9.195 -3.691 1.00 0.00 C ATOM 0 H LEU A 36 -8.486 9.854 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.045 8.317 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.196 10.246 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.976 9.529 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.482 7.507 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.912 7.808 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.974 7.839 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.577 9.358 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.971 8.634 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.546 10.210 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.296 9.228 -4.305 1.00 0.00 H new ATOM 270 N SER A 37 -9.215 6.413 0.359 1.00 0.00 N ATOM 271 CA SER A 37 -8.323 5.227 0.325 1.00 0.00 C ATOM 272 C SER A 37 -9.063 3.875 0.060 1.00 0.00 C ATOM 273 O SER A 37 -9.976 3.479 0.790 1.00 0.00 O ATOM 274 CB SER A 37 -7.561 5.205 1.675 1.00 0.00 C ATOM 275 OG SER A 37 -6.861 6.435 1.913 1.00 0.00 O ATOM 0 H SER A 37 -9.713 6.526 1.242 1.00 0.00 H new ATOM 0 HA SER A 37 -7.642 5.320 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.266 5.025 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.852 4.377 1.679 1.00 0.00 H new ATOM 0 HG SER A 37 -6.808 6.600 2.878 1.00 0.00 H new ATOM 276 N ARG A 38 -8.628 3.160 -0.983 1.00 0.00 N ATOM 277 CA ARG A 38 -9.129 1.788 -1.329 1.00 0.00 C ATOM 278 C ARG A 38 -8.011 0.712 -1.172 1.00 0.00 C ATOM 279 O ARG A 38 -6.842 1.045 -1.023 1.00 0.00 O ATOM 280 CB ARG A 38 -9.630 1.821 -2.806 1.00 0.00 C ATOM 281 CG ARG A 38 -11.067 2.343 -2.988 1.00 0.00 C ATOM 282 CD ARG A 38 -11.423 2.571 -4.467 1.00 0.00 C ATOM 283 NE ARG A 38 -12.789 3.137 -4.618 1.00 0.00 N ATOM 284 CZ ARG A 38 -13.090 4.432 -4.637 1.00 0.00 C ATOM 285 NH1 ARG A 38 -12.222 5.390 -4.436 1.00 0.00 N ATOM 286 NH2 ARG A 38 -14.322 4.767 -4.860 1.00 0.00 N ATOM 0 H ARG A 38 -7.914 3.502 -1.626 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.936 1.517 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.955 2.446 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.569 0.814 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.768 1.630 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.183 3.278 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.696 3.247 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.358 1.627 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.560 2.477 -4.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.245 5.162 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.522 6.364 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.027 4.046 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.587 5.752 -4.881 1.00 0.00 H new ATOM 287 N CYS A 39 -8.307 -0.595 -1.196 1.00 0.00 N ATOM 288 CA CYS A 39 -7.242 -1.637 -1.207 1.00 0.00 C ATOM 289 C CYS A 39 -6.651 -1.825 -2.647 1.00 0.00 C ATOM 290 O CYS A 39 -7.325 -1.660 -3.667 1.00 0.00 O ATOM 291 CB CYS A 39 -7.853 -2.937 -0.670 1.00 0.00 C ATOM 292 SG CYS A 39 -8.382 -2.839 1.056 1.00 0.00 S ATOM 0 H CYS A 39 -9.258 -0.964 -1.208 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.409 -1.334 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.710 -3.207 -1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.122 -3.739 -0.771 1.00 0.00 H new ATOM 293 N ALA A 40 -5.363 -2.162 -2.715 1.00 0.00 N ATOM 294 CA ALA A 40 -4.614 -2.263 -3.996 1.00 0.00 C ATOM 295 C ALA A 40 -3.581 -3.436 -4.079 1.00 0.00 C ATOM 296 O ALA A 40 -3.322 -4.169 -3.120 1.00 0.00 O ATOM 297 CB ALA A 40 -3.966 -0.878 -4.147 1.00 0.00 C ATOM 0 H ALA A 40 -4.798 -2.375 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.283 -2.518 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.385 -0.847 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.743 -0.115 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.309 -0.689 -3.298 1.00 0.00 H new ATOM 298 N LEU A 41 -3.025 -3.621 -5.285 1.00 0.00 N ATOM 299 CA LEU A 41 -2.043 -4.702 -5.579 1.00 0.00 C ATOM 300 C LEU A 41 -0.568 -4.304 -5.225 1.00 0.00 C ATOM 301 O LEU A 41 -0.175 -3.135 -5.264 1.00 0.00 O ATOM 302 CB LEU A 41 -2.177 -5.066 -7.092 1.00 0.00 C ATOM 303 CG LEU A 41 -3.451 -5.839 -7.527 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.560 -5.876 -9.059 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.464 -7.286 -7.000 1.00 0.00 C ATOM 0 H LEU A 41 -3.236 -3.032 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.269 -5.563 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.131 -4.141 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.308 -5.661 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.299 -5.306 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.459 -6.422 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.615 -4.858 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.684 -6.375 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.375 -7.785 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.596 -7.821 -7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.430 -7.277 -5.911 1.00 0.00 H new ATOM 306 N LYS A 42 0.249 -5.319 -4.915 1.00 0.00 N ATOM 307 CA LYS A 42 1.694 -5.157 -4.570 1.00 0.00 C ATOM 308 C LYS A 42 2.576 -4.616 -5.750 1.00 0.00 C ATOM 309 O LYS A 42 2.344 -4.960 -6.914 1.00 0.00 O ATOM 310 CB LYS A 42 2.223 -6.554 -4.132 1.00 0.00 C ATOM 311 CG LYS A 42 1.571 -7.252 -2.916 1.00 0.00 C ATOM 312 CD LYS A 42 1.859 -6.595 -1.550 1.00 0.00 C ATOM 313 CE LYS A 42 1.006 -7.270 -0.470 1.00 0.00 C ATOM 314 NZ LYS A 42 1.278 -6.723 0.871 1.00 0.00 N ATOM 0 H LYS A 42 -0.063 -6.290 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 42 1.767 -4.411 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.129 -7.225 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.288 -6.452 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.492 -7.279 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.914 -8.286 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.917 -6.689 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.635 -5.529 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.050 -7.139 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.202 -8.342 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.611 -7.133 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.251 -6.960 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.164 -5.689 0.854 1.00 0.00 H new ATOM 315 N ALA A 43 3.615 -3.815 -5.460 1.00 0.00 N ATOM 316 CA ALA A 43 4.446 -3.180 -6.513 1.00 0.00 C ATOM 317 C ALA A 43 5.477 -4.134 -7.201 1.00 0.00 C ATOM 318 O ALA A 43 5.904 -5.166 -6.675 1.00 0.00 O ATOM 319 CB ALA A 43 5.143 -1.980 -5.849 1.00 0.00 C ATOM 0 H ALA A 43 3.904 -3.588 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 43 3.798 -2.878 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.771 -1.473 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.392 -1.286 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.761 -2.330 -5.022 1.00 0.00 H new ATOM 320 N ARG A 44 5.830 -3.760 -8.430 1.00 0.00 N ATOM 321 CA ARG A 44 6.701 -4.557 -9.334 1.00 0.00 C ATOM 322 C ARG A 44 8.119 -3.925 -9.506 1.00 0.00 C ATOM 323 O ARG A 44 8.407 -2.814 -9.061 1.00 0.00 O ATOM 324 CB ARG A 44 5.942 -4.695 -10.691 1.00 0.00 C ATOM 325 CG ARG A 44 4.836 -5.780 -10.749 1.00 0.00 C ATOM 326 CD ARG A 44 3.454 -5.397 -10.178 1.00 0.00 C ATOM 327 NE ARG A 44 2.804 -4.335 -10.992 1.00 0.00 N ATOM 328 CZ ARG A 44 1.902 -3.467 -10.547 1.00 0.00 C ATOM 329 NH1 ARG A 44 1.444 -3.431 -9.323 1.00 0.00 N ATOM 330 NH2 ARG A 44 1.444 -2.591 -11.386 1.00 0.00 N ATOM 0 H ARG A 44 5.520 -2.881 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 44 6.891 -5.541 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.490 -3.732 -10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.672 -4.908 -11.472 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.704 -6.075 -11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.194 -6.659 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.814 -6.279 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.567 -5.052 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 44 3.073 -4.268 -11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.781 -4.102 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.750 -2.732 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.777 -2.585 -12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.750 -1.908 -11.082 1.00 0.00 H new ATOM 331 N GLU A 45 9.016 -4.657 -10.181 1.00 0.00 N ATOM 332 CA GLU A 45 10.448 -4.275 -10.353 1.00 0.00 C ATOM 333 C GLU A 45 10.682 -2.829 -10.924 1.00 0.00 C ATOM 334 O GLU A 45 10.156 -2.454 -11.973 1.00 0.00 O ATOM 335 CB GLU A 45 11.117 -5.342 -11.266 1.00 0.00 C ATOM 336 CG GLU A 45 12.664 -5.374 -11.152 1.00 0.00 C ATOM 337 CD GLU A 45 13.359 -6.335 -12.106 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.469 -5.829 -13.364 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.786 -7.435 -11.775 1.00 0.00 O ATOM 0 H GLU A 45 8.778 -5.541 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 45 10.900 -4.249 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.722 -6.325 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.841 -5.146 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.047 -4.369 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.933 -5.642 -10.130 1.00 0.00 H new ATOM 340 N ASN A 46 11.498 -2.054 -10.196 1.00 0.00 N ATOM 341 CA ASN A 46 11.769 -0.596 -10.458 1.00 0.00 C ATOM 342 C ASN A 46 10.594 0.381 -10.055 1.00 0.00 C ATOM 343 O ASN A 46 10.596 1.543 -10.471 1.00 0.00 O ATOM 344 CB ASN A 46 12.318 -0.326 -11.895 1.00 0.00 C ATOM 345 CG ASN A 46 13.646 -1.004 -12.226 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.709 -0.613 -11.760 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.638 -2.035 -13.029 1.00 0.00 N ATOM 0 H ASN A 46 12.008 -2.411 -9.388 1.00 0.00 H new ATOM 0 HA ASN A 46 12.574 -0.347 -9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.572 -0.654 -12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.436 0.750 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.512 -2.506 -13.262 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.758 -2.368 -13.422 1.00 0.00 H new ATOM 348 N SER A 47 9.658 -0.030 -9.174 1.00 0.00 N ATOM 349 CA SER A 47 8.583 0.848 -8.641 1.00 0.00 C ATOM 350 C SER A 47 8.738 1.059 -7.103 1.00 0.00 C ATOM 351 O SER A 47 9.259 0.214 -6.367 1.00 0.00 O ATOM 352 CB SER A 47 7.219 0.204 -8.993 1.00 0.00 C ATOM 353 OG SER A 47 6.122 1.014 -8.557 1.00 0.00 O ATOM 0 H SER A 47 9.622 -0.982 -8.808 1.00 0.00 H new ATOM 0 HA SER A 47 8.649 1.837 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.155 0.054 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.151 -0.780 -8.530 1.00 0.00 H new ATOM 0 HG SER A 47 5.278 0.578 -8.797 1.00 0.00 H new ATOM 354 N GLU A 48 8.229 2.198 -6.610 1.00 0.00 N ATOM 355 CA GLU A 48 8.208 2.530 -5.172 1.00 0.00 C ATOM 356 C GLU A 48 7.311 1.555 -4.330 1.00 0.00 C ATOM 357 O GLU A 48 6.202 1.167 -4.703 1.00 0.00 O ATOM 358 CB GLU A 48 7.732 3.999 -4.995 1.00 0.00 C ATOM 359 CG GLU A 48 8.815 5.086 -5.226 1.00 0.00 C ATOM 360 CD GLU A 48 8.415 6.469 -4.708 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.499 7.142 -5.174 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.174 6.858 -3.648 1.00 0.00 O ATOM 0 H GLU A 48 7.817 2.921 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 48 9.223 2.414 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.907 4.181 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.336 4.115 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.738 4.777 -4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.028 5.154 -6.293 1.00 0.00 H new ATOM 363 N CYS A 49 7.872 1.186 -3.185 1.00 0.00 N ATOM 364 CA CYS A 49 7.289 0.208 -2.234 1.00 0.00 C ATOM 365 C CYS A 49 7.444 0.657 -0.749 1.00 0.00 C ATOM 366 O CYS A 49 8.506 1.128 -0.318 1.00 0.00 O ATOM 367 CB CYS A 49 7.968 -1.148 -2.518 1.00 0.00 C ATOM 368 SG CYS A 49 9.772 -1.067 -2.466 1.00 0.00 S ATOM 0 H CYS A 49 8.768 1.560 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 49 6.212 0.129 -2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.623 -1.880 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.655 -1.505 -3.499 1.00 0.00 H new ATOM 369 N SER A 50 6.396 0.432 0.063 1.00 0.00 N ATOM 370 CA SER A 50 6.395 0.805 1.508 1.00 0.00 C ATOM 371 C SER A 50 7.271 -0.193 2.338 1.00 0.00 C ATOM 372 O SER A 50 6.822 -1.230 2.832 1.00 0.00 O ATOM 373 CB SER A 50 4.914 0.857 1.959 1.00 0.00 C ATOM 374 OG SER A 50 4.796 1.350 3.295 1.00 0.00 O ATOM 0 H SER A 50 5.530 -0.008 -0.249 1.00 0.00 H new ATOM 0 HA SER A 50 6.848 1.782 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.347 1.496 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.477 -0.140 1.897 1.00 0.00 H new ATOM 0 HG SER A 50 3.855 1.543 3.490 1.00 0.00 H new ATOM 375 N ALA A 51 8.561 0.163 2.459 1.00 0.00 N ATOM 376 CA ALA A 51 9.586 -0.709 3.083 1.00 0.00 C ATOM 377 C ALA A 51 9.564 -0.783 4.649 1.00 0.00 C ATOM 378 O ALA A 51 9.568 -1.872 5.223 1.00 0.00 O ATOM 379 CB ALA A 51 10.930 -0.149 2.562 1.00 0.00 C ATOM 0 H ALA A 51 8.927 1.057 2.131 1.00 0.00 H new ATOM 0 HA ALA A 51 9.397 -1.746 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.752 -0.735 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.951 -0.208 1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.035 0.891 2.871 1.00 0.00 H new ATOM 380 N PHE A 52 9.559 0.376 5.327 1.00 0.00 N ATOM 381 CA PHE A 52 9.434 0.475 6.815 1.00 0.00 C ATOM 382 C PHE A 52 7.999 0.327 7.424 1.00 0.00 C ATOM 383 O PHE A 52 7.809 -0.254 8.493 1.00 0.00 O ATOM 384 CB PHE A 52 10.130 1.810 7.249 1.00 0.00 C ATOM 385 CG PHE A 52 9.557 3.147 6.707 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.523 3.809 7.378 1.00 0.00 C ATOM 387 CD2 PHE A 52 10.024 3.665 5.493 1.00 0.00 C ATOM 388 CE1 PHE A 52 7.942 4.949 6.827 1.00 0.00 C ATOM 389 CE2 PHE A 52 9.447 4.808 4.946 1.00 0.00 C ATOM 390 CZ PHE A 52 8.402 5.445 5.610 1.00 0.00 C ATOM 0 H PHE A 52 9.641 1.283 4.868 1.00 0.00 H new ATOM 0 HA PHE A 52 9.928 -0.403 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.110 1.857 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.177 1.752 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.173 3.434 8.329 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.837 3.175 4.978 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.135 5.448 7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.810 5.200 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.947 6.325 5.180 1.00 0.00 H new ATOM 391 N THR A 53 7.025 0.876 6.707 1.00 0.00 N ATOM 392 CA THR A 53 5.584 0.996 7.088 1.00 0.00 C ATOM 393 C THR A 53 5.315 1.873 8.357 1.00 0.00 C ATOM 394 O THR A 53 6.066 1.921 9.334 1.00 0.00 O ATOM 395 CB THR A 53 4.797 -0.351 7.249 1.00 0.00 C ATOM 396 OG1 THR A 53 5.359 -1.180 8.260 1.00 0.00 O ATOM 397 CG2 THR A 53 4.742 -1.179 5.965 1.00 0.00 C ATOM 0 H THR A 53 7.209 1.279 5.788 1.00 0.00 H new ATOM 0 HA THR A 53 5.195 1.504 6.206 1.00 0.00 H new ATOM 0 HB THR A 53 3.788 -0.040 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.092 -0.704 8.703 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.183 -2.097 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.249 -0.603 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.755 -1.428 5.649 1.00 0.00 H new ATOM 398 N LEU A 54 4.193 2.590 8.291 1.00 0.00 N ATOM 399 CA LEU A 54 3.648 3.347 9.448 1.00 0.00 C ATOM 400 C LEU A 54 2.473 2.519 10.073 1.00 0.00 C ATOM 401 O LEU A 54 2.248 1.345 9.750 1.00 0.00 O ATOM 402 CB LEU A 54 3.262 4.774 8.928 1.00 0.00 C ATOM 403 CG LEU A 54 1.999 4.892 8.011 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.003 5.948 8.520 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.364 5.191 6.554 1.00 0.00 C ATOM 0 H LEU A 54 3.630 2.671 7.445 1.00 0.00 H new ATOM 0 HA LEU A 54 4.364 3.491 10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.110 5.418 9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.115 5.174 8.379 1.00 0.00 H new ATOM 0 HG LEU A 54 1.517 3.915 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.145 5.991 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.668 5.679 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.490 6.923 8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.454 5.263 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.908 6.134 6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.990 4.389 6.164 1.00 0.00 H new ATOM 406 N TYR A 55 1.700 3.139 10.973 1.00 0.00 N ATOM 407 CA TYR A 55 0.455 2.505 11.467 1.00 0.00 C ATOM 408 C TYR A 55 -0.707 3.245 10.720 1.00 0.00 C ATOM 409 O TYR A 55 -1.407 4.109 11.257 1.00 0.00 O ATOM 410 CB TYR A 55 0.393 2.476 13.022 1.00 0.00 C ATOM 411 CG TYR A 55 -0.832 1.651 13.457 1.00 0.00 C ATOM 412 CD1 TYR A 55 -0.830 0.272 13.218 1.00 0.00 C ATOM 413 CD2 TYR A 55 -2.046 2.318 13.637 1.00 0.00 C ATOM 414 CE1 TYR A 55 -2.033 -0.404 13.040 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.247 1.640 13.455 1.00 0.00 C ATOM 416 CZ TYR A 55 -3.243 0.279 13.156 1.00 0.00 C ATOM 417 OH TYR A 55 -4.421 -0.366 12.895 1.00 0.00 O ATOM 0 H TYR A 55 1.901 4.057 11.371 1.00 0.00 H new ATOM 0 HA TYR A 55 0.384 1.441 11.239 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.305 2.039 13.428 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.324 3.490 13.415 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.105 -0.267 13.172 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.052 3.361 13.918 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.030 -1.460 12.812 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.184 2.169 13.546 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.169 0.254 13.024 1.00 0.00 H new ATOM 418 N GLY A 56 -0.854 2.919 9.430 1.00 0.00 N ATOM 419 CA GLY A 56 -1.836 3.616 8.567 1.00 0.00 C ATOM 420 C GLY A 56 -1.669 3.370 7.062 1.00 0.00 C ATOM 421 O GLY A 56 -1.083 2.386 6.617 1.00 0.00 O ATOM 0 H GLY A 56 -0.318 2.190 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.839 3.307 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.765 4.687 8.754 1.00 0.00 H new ATOM 422 N VAL A 57 -2.247 4.279 6.288 1.00 0.00 N ATOM 423 CA VAL A 57 -2.442 4.100 4.817 1.00 0.00 C ATOM 424 C VAL A 57 -1.172 4.498 3.997 1.00 0.00 C ATOM 425 O VAL A 57 -0.447 5.450 4.302 1.00 0.00 O ATOM 426 CB VAL A 57 -3.702 4.911 4.370 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.174 4.601 2.940 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.946 4.616 5.214 1.00 0.00 C ATOM 0 H VAL A 57 -2.601 5.168 6.642 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.604 3.042 4.611 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.350 5.937 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.052 5.204 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.376 4.834 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.429 3.544 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.783 5.212 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.194 3.557 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.747 4.868 6.256 1.00 0.00 H new ATOM 429 N TYR A 58 -0.936 3.747 2.921 1.00 0.00 N ATOM 430 CA TYR A 58 0.273 3.872 2.084 1.00 0.00 C ATOM 431 C TYR A 58 -0.044 4.488 0.699 1.00 0.00 C ATOM 432 O TYR A 58 -0.968 4.067 0.004 1.00 0.00 O ATOM 433 CB TYR A 58 0.840 2.441 1.871 1.00 0.00 C ATOM 434 CG TYR A 58 1.150 1.542 3.084 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.484 2.043 4.350 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.979 0.168 2.913 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.638 1.172 5.427 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.163 -0.702 3.983 1.00 0.00 C ATOM 439 CZ TYR A 58 1.461 -0.196 5.244 1.00 0.00 C ATOM 440 OH TYR A 58 1.452 -1.036 6.322 1.00 0.00 O ATOM 0 H TYR A 58 -1.581 3.026 2.597 1.00 0.00 H new ATOM 0 HA TYR A 58 0.985 4.528 2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.131 1.903 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.762 2.541 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.622 3.105 4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.702 -0.222 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.894 1.558 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.075 -1.768 3.835 1.00 0.00 H new ATOM 0 HH TYR A 58 0.783 -1.738 6.184 1.00 0.00 H new ATOM 441 N TYR A 59 0.776 5.434 0.254 1.00 0.00 N ATOM 442 CA TYR A 59 0.657 5.998 -1.128 1.00 0.00 C ATOM 443 C TYR A 59 1.178 5.029 -2.274 1.00 0.00 C ATOM 444 O TYR A 59 0.843 5.246 -3.440 1.00 0.00 O ATOM 445 CB TYR A 59 1.388 7.370 -1.128 1.00 0.00 C ATOM 446 CG TYR A 59 0.684 8.609 -0.540 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.368 8.684 0.824 1.00 0.00 C ATOM 448 CD2 TYR A 59 0.499 9.740 -1.343 1.00 0.00 C ATOM 449 CE1 TYR A 59 -0.133 9.864 1.366 1.00 0.00 C ATOM 450 CE2 TYR A 59 0.030 10.928 -0.790 1.00 0.00 C ATOM 451 CZ TYR A 59 -0.281 10.987 0.564 1.00 0.00 C ATOM 452 OH TYR A 59 -0.669 12.168 1.126 1.00 0.00 O ATOM 0 H TYR A 59 1.531 5.838 0.808 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.398 6.123 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.325 7.240 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.646 7.602 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.514 7.822 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.722 9.691 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.406 9.906 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.092 11.803 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.288 12.913 0.617 1.00 0.00 H new ATOM 453 N LYS A 60 1.984 3.991 -1.964 1.00 0.00 N ATOM 454 CA LYS A 60 2.453 2.949 -2.914 1.00 0.00 C ATOM 455 C LYS A 60 2.598 1.616 -2.093 1.00 0.00 C ATOM 456 O LYS A 60 3.374 1.542 -1.132 1.00 0.00 O ATOM 457 CB LYS A 60 3.822 3.325 -3.558 1.00 0.00 C ATOM 458 CG LYS A 60 3.888 4.582 -4.458 1.00 0.00 C ATOM 459 CD LYS A 60 3.227 4.397 -5.840 1.00 0.00 C ATOM 460 CE LYS A 60 3.200 5.679 -6.691 1.00 0.00 C ATOM 461 NZ LYS A 60 2.174 6.616 -6.188 1.00 0.00 N ATOM 0 H LYS A 60 2.339 3.847 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 60 1.738 2.846 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.544 3.455 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.156 2.473 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.404 5.412 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.932 4.861 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.761 3.620 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.206 4.043 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.179 6.157 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.992 5.427 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.431 6.736 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.754 6.236 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.613 7.537 -5.987 1.00 0.00 H new ATOM 462 N CYS A 61 1.851 0.563 -2.458 1.00 0.00 N ATOM 463 CA CYS A 61 1.926 -0.771 -1.790 1.00 0.00 C ATOM 464 C CYS A 61 3.348 -1.470 -1.715 1.00 0.00 C ATOM 465 O CYS A 61 4.164 -1.263 -2.620 1.00 0.00 O ATOM 466 CB CYS A 61 0.975 -1.690 -2.591 1.00 0.00 C ATOM 467 SG CYS A 61 -0.766 -1.309 -2.347 1.00 0.00 S ATOM 0 H CYS A 61 1.175 0.599 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 61 1.663 -0.609 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.211 -1.608 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.156 -2.726 -2.303 1.00 0.00 H new ATOM 468 N PRO A 62 3.684 -2.330 -0.701 1.00 0.00 N ATOM 469 CA PRO A 62 4.978 -3.080 -0.680 1.00 0.00 C ATOM 470 C PRO A 62 5.153 -4.169 -1.806 1.00 0.00 C ATOM 471 O PRO A 62 4.235 -4.445 -2.582 1.00 0.00 O ATOM 472 CB PRO A 62 4.979 -3.626 0.764 1.00 0.00 C ATOM 473 CG PRO A 62 3.508 -3.787 1.140 1.00 0.00 C ATOM 474 CD PRO A 62 2.810 -2.616 0.456 1.00 0.00 C ATOM 0 HA PRO A 62 5.841 -2.458 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.506 -4.578 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.485 -2.939 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.112 -4.742 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.369 -3.756 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.799 -2.877 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.725 -1.755 1.119 1.00 0.00 H new ATOM 475 N CYS A 63 6.352 -4.768 -1.922 1.00 0.00 N ATOM 476 CA CYS A 63 6.650 -5.786 -2.974 1.00 0.00 C ATOM 477 C CYS A 63 6.007 -7.204 -2.713 1.00 0.00 C ATOM 478 O CYS A 63 5.716 -7.591 -1.576 1.00 0.00 O ATOM 479 CB CYS A 63 8.193 -5.873 -3.067 1.00 0.00 C ATOM 480 SG CYS A 63 8.984 -4.257 -3.256 1.00 0.00 S ATOM 0 H CYS A 63 7.139 -4.571 -1.304 1.00 0.00 H new ATOM 0 HA CYS A 63 6.197 -5.469 -3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.579 -6.357 -2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.465 -6.505 -3.912 1.00 0.00 H new ATOM 481 N GLU A 64 5.776 -7.979 -3.787 1.00 0.00 N ATOM 482 CA GLU A 64 5.189 -9.350 -3.708 1.00 0.00 C ATOM 483 C GLU A 64 6.201 -10.494 -3.320 1.00 0.00 C ATOM 484 O GLU A 64 7.395 -10.268 -3.102 1.00 0.00 O ATOM 485 CB GLU A 64 4.440 -9.591 -5.060 1.00 0.00 C ATOM 486 CG GLU A 64 5.229 -9.660 -6.401 1.00 0.00 C ATOM 487 CD GLU A 64 5.684 -8.312 -6.954 1.00 0.00 C ATOM 488 OE1 GLU A 64 4.641 -7.483 -7.230 1.00 0.00 O ATOM 489 OE2 GLU A 64 6.858 -7.991 -7.077 1.00 0.00 O ATOM 0 H GLU A 64 5.987 -7.682 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 64 4.494 -9.397 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.892 -10.528 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.700 -8.798 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.106 -10.291 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.604 -10.149 -7.148 1.00 0.00 H new ATOM 490 N ARG A 65 5.711 -11.750 -3.219 1.00 0.00 N ATOM 491 CA ARG A 65 6.528 -12.919 -2.778 1.00 0.00 C ATOM 492 C ARG A 65 7.678 -13.281 -3.787 1.00 0.00 C ATOM 493 O ARG A 65 7.461 -13.874 -4.848 1.00 0.00 O ATOM 494 CB ARG A 65 5.555 -14.106 -2.533 1.00 0.00 C ATOM 495 CG ARG A 65 6.136 -15.258 -1.674 1.00 0.00 C ATOM 496 CD ARG A 65 6.094 -14.971 -0.162 1.00 0.00 C ATOM 497 NE ARG A 65 6.845 -16.022 0.569 1.00 0.00 N ATOM 498 CZ ARG A 65 6.890 -16.145 1.891 1.00 0.00 C ATOM 499 NH1 ARG A 65 6.267 -15.353 2.726 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.596 -17.112 2.388 1.00 0.00 N ATOM 0 H ARG A 65 4.744 -11.988 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 65 7.051 -12.669 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.657 -13.726 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.248 -14.510 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.578 -16.172 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.168 -15.441 -1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.526 -13.992 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.061 -14.942 0.184 1.00 0.00 H new ATOM 0 HE ARG A 65 7.366 -16.701 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.702 -14.581 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.347 -15.507 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.095 -17.750 1.768 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.652 -17.235 3.399 1.00 0.00 H new ATOM 501 N GLY A 66 8.903 -12.899 -3.415 1.00 0.00 N ATOM 502 CA GLY A 66 10.104 -13.027 -4.295 1.00 0.00 C ATOM 503 C GLY A 66 10.952 -11.738 -4.429 1.00 0.00 C ATOM 504 O GLY A 66 12.178 -11.790 -4.303 1.00 0.00 O ATOM 0 H GLY A 66 9.106 -12.492 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.738 -13.824 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.778 -13.335 -5.288 1.00 0.00 H new ATOM 505 N LEU A 67 10.304 -10.583 -4.648 1.00 0.00 N ATOM 506 CA LEU A 67 10.994 -9.284 -4.861 1.00 0.00 C ATOM 507 C LEU A 67 11.140 -8.492 -3.523 1.00 0.00 C ATOM 508 O LEU A 67 10.242 -8.438 -2.679 1.00 0.00 O ATOM 509 CB LEU A 67 10.198 -8.441 -5.906 1.00 0.00 C ATOM 510 CG LEU A 67 10.580 -8.678 -7.386 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.069 -10.021 -7.934 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.070 -7.547 -8.286 1.00 0.00 C ATOM 0 H LEU A 67 9.287 -10.515 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 67 11.998 -9.481 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.136 -8.654 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.339 -7.385 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 67 11.670 -8.699 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.370 -10.127 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.493 -10.837 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.982 -10.052 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.356 -7.746 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.984 -7.488 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.507 -6.601 -7.965 1.00 0.00 H new ATOM 513 N THR A 68 12.310 -7.868 -3.349 1.00 0.00 N ATOM 514 CA THR A 68 12.650 -7.102 -2.120 1.00 0.00 C ATOM 515 C THR A 68 12.454 -5.569 -2.303 1.00 0.00 C ATOM 516 O THR A 68 12.652 -5.014 -3.385 1.00 0.00 O ATOM 517 CB THR A 68 14.118 -7.468 -1.714 1.00 0.00 C ATOM 518 OG1 THR A 68 14.197 -7.503 -0.295 1.00 0.00 O ATOM 519 CG2 THR A 68 15.221 -6.502 -2.168 1.00 0.00 C ATOM 0 H THR A 68 13.054 -7.873 -4.047 1.00 0.00 H new ATOM 0 HA THR A 68 11.967 -7.379 -1.317 1.00 0.00 H new ATOM 0 HB THR A 68 14.303 -8.418 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.110 -7.733 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.189 -6.867 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.223 -6.437 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.036 -5.514 -1.746 1.00 0.00 H new ATOM 520 N CYS A 69 12.151 -4.896 -1.199 1.00 0.00 N ATOM 521 CA CYS A 69 12.075 -3.414 -1.174 1.00 0.00 C ATOM 522 C CYS A 69 13.467 -2.825 -0.760 1.00 0.00 C ATOM 523 O CYS A 69 13.981 -3.136 0.320 1.00 0.00 O ATOM 524 CB CYS A 69 10.896 -3.015 -0.268 1.00 0.00 C ATOM 525 SG CYS A 69 10.452 -1.296 -0.596 1.00 0.00 S ATOM 0 H CYS A 69 11.952 -5.340 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 69 11.871 -2.987 -2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.042 -3.666 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.169 -3.139 0.780 1.00 0.00 H new ATOM 526 N GLU A 70 14.061 -1.940 -1.570 1.00 0.00 N ATOM 527 CA GLU A 70 15.418 -1.385 -1.294 1.00 0.00 C ATOM 528 C GLU A 70 15.233 -0.055 -0.495 1.00 0.00 C ATOM 529 O GLU A 70 14.982 1.005 -1.074 1.00 0.00 O ATOM 530 CB GLU A 70 16.162 -1.185 -2.649 1.00 0.00 C ATOM 531 CG GLU A 70 16.489 -2.459 -3.481 1.00 0.00 C ATOM 532 CD GLU A 70 17.461 -3.475 -2.882 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.066 -3.331 -1.825 1.00 0.00 O ATOM 534 OE2 GLU A 70 17.591 -4.574 -3.671 1.00 0.00 O ATOM 0 H GLU A 70 13.634 -1.585 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 70 16.028 -2.058 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.559 -0.523 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 70 17.099 -0.666 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.551 -2.975 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.892 -2.137 -4.441 1.00 0.00 H new ATOM 625 N PHE A 84 9.562 6.403 -0.169 1.00 0.00 N ATOM 626 CA PHE A 84 9.610 4.912 -0.222 1.00 0.00 C ATOM 627 C PHE A 84 10.874 4.292 -0.903 1.00 0.00 C ATOM 628 O PHE A 84 11.580 4.935 -1.685 1.00 0.00 O ATOM 629 CB PHE A 84 8.343 4.453 -1.015 1.00 0.00 C ATOM 630 CG PHE A 84 6.944 4.834 -0.494 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.577 4.687 0.850 1.00 0.00 C ATOM 632 CD2 PHE A 84 6.040 5.409 -1.389 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.347 5.165 1.298 1.00 0.00 C ATOM 634 CE2 PHE A 84 4.808 5.866 -0.945 1.00 0.00 C ATOM 635 CZ PHE A 84 4.470 5.769 0.399 1.00 0.00 C ATOM 0 HA PHE A 84 9.649 4.561 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.432 4.844 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.380 3.366 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.250 4.201 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.301 5.499 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.074 5.068 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 84 4.110 6.298 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.526 6.162 0.748 1.00 0.00 H new ATOM 636 N GLY A 85 11.139 3.007 -0.601 1.00 0.00 N ATOM 637 CA GLY A 85 12.215 2.235 -1.290 1.00 0.00 C ATOM 638 C GLY A 85 11.774 1.628 -2.650 1.00 0.00 C ATOM 639 O GLY A 85 10.629 1.805 -3.062 1.00 0.00 O ATOM 0 H GLY A 85 10.633 2.476 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.071 2.889 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.550 1.431 -0.635 1.00 0.00 H new ATOM 640 N ILE A 86 12.646 0.899 -3.360 1.00 0.00 N ATOM 641 CA ILE A 86 12.318 0.382 -4.740 1.00 0.00 C ATOM 642 C ILE A 86 12.271 -1.191 -4.774 1.00 0.00 C ATOM 643 O ILE A 86 13.153 -1.868 -4.243 1.00 0.00 O ATOM 644 CB ILE A 86 13.324 0.957 -5.810 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.470 2.512 -5.837 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.932 0.516 -7.247 1.00 0.00 C ATOM 647 CD1 ILE A 86 12.232 3.308 -6.298 1.00 0.00 C ATOM 0 H ILE A 86 13.576 0.645 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 86 11.320 0.736 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 86 14.280 0.541 -5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.739 2.848 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.303 2.766 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.645 0.928 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.944 -0.572 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.932 0.882 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.456 4.375 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.969 3.015 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.395 3.098 -5.632 1.00 0.00 H new ATOM 648 N CYS A 87 11.270 -1.776 -5.456 1.00 0.00 N ATOM 649 CA CYS A 87 11.166 -3.245 -5.672 1.00 0.00 C ATOM 650 C CYS A 87 12.250 -3.830 -6.644 1.00 0.00 C ATOM 651 O CYS A 87 12.390 -3.344 -7.770 1.00 0.00 O ATOM 652 CB CYS A 87 9.754 -3.487 -6.234 1.00 0.00 C ATOM 653 SG CYS A 87 8.470 -3.351 -4.973 1.00 0.00 S ATOM 0 H CYS A 87 10.505 -1.249 -5.877 1.00 0.00 H new ATOM 0 HA CYS A 87 11.342 -3.759 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.555 -2.767 -7.028 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.712 -4.479 -6.684 1.00 0.00 H new ATOM 654 N HIS A 88 13.009 -4.868 -6.241 1.00 0.00 N ATOM 655 CA HIS A 88 14.007 -5.531 -7.125 1.00 0.00 C ATOM 656 C HIS A 88 14.014 -7.078 -6.905 1.00 0.00 C ATOM 657 O HIS A 88 13.708 -7.604 -5.831 1.00 0.00 O ATOM 658 CB HIS A 88 15.406 -4.918 -6.883 1.00 0.00 C ATOM 659 CG HIS A 88 15.653 -3.569 -7.559 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.049 -3.470 -8.886 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.409 -2.294 -7.020 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.017 -2.106 -9.025 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.684 -1.319 -7.960 1.00 0.00 N ATOM 0 H HIS A 88 12.954 -5.272 -5.306 1.00 0.00 H new ATOM 0 HA HIS A 88 13.728 -5.358 -8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.552 -4.800 -5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.159 -5.624 -7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.058 -2.104 -6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.255 -1.654 -9.977 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.648 -0.303 -7.881 1.00 0.00 H new ATOM 664 N ASN A 89 14.463 -7.821 -7.924 1.00 0.00 N ATOM 665 CA ASN A 89 14.432 -9.316 -7.920 1.00 0.00 C ATOM 666 C ASN A 89 15.781 -9.920 -7.402 1.00 0.00 C ATOM 667 O ASN A 89 16.646 -10.407 -8.133 1.00 0.00 O ATOM 668 CB ASN A 89 14.077 -9.711 -9.368 1.00 0.00 C ATOM 669 CG ASN A 89 13.686 -11.173 -9.579 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.527 -11.554 -9.498 1.00 0.00 O ATOM 671 ND2 ASN A 89 14.622 -12.045 -9.845 1.00 0.00 N ATOM 0 H ASN A 89 14.858 -7.421 -8.775 1.00 0.00 H new ATOM 0 HA ASN A 89 13.694 -9.721 -7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.254 -9.082 -9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.932 -9.487 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.381 -13.027 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.594 -11.744 -9.916 1.00 0.00 H new ATOM 672 N VAL A 90 15.889 -9.849 -6.080 1.00 0.00 N ATOM 673 CA VAL A 90 17.086 -10.291 -5.300 1.00 0.00 C ATOM 674 C VAL A 90 16.664 -11.443 -4.325 1.00 0.00 C ATOM 675 O VAL A 90 17.051 -12.600 -4.498 1.00 0.00 O ATOM 676 CB VAL A 90 17.753 -9.037 -4.610 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.940 -9.407 -3.690 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.263 -7.972 -5.606 1.00 0.00 C ATOM 0 H VAL A 90 15.144 -9.479 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 90 17.859 -10.714 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 90 16.936 -8.621 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.353 -8.501 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.594 -10.072 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.711 -9.909 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.707 -7.143 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 90 19.012 -8.416 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.429 -7.605 -6.205 1.00 0.00 H new