USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 VAL N :NH3+ -117:sc= -0.104 (180deg=-0.391) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.803 K(o=0.8,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.065) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.156 USER MOD Single : A 25 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 100:sc= 1.28 USER MOD Single : A 34 SER OG : rot 5:sc= 1.23 USER MOD Single : A 36 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.43) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=-0.5) USER MOD Single : A 50 ASN : amide:sc= 0.912 K(o=0.91,f=-2.1!) USER MOD Single : A 55 ASN : amide:sc= 0.27 K(o=0.27,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.190 11.787 5.827 1.00 0.00 N ATOM 2 CA VAL A 1 5.795 10.492 5.215 1.00 0.00 C ATOM 3 C VAL A 1 4.752 9.818 6.076 1.00 0.00 C ATOM 4 O VAL A 1 4.280 10.379 7.065 1.00 0.00 O ATOM 5 CB VAL A 1 7.019 9.592 4.963 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.955 10.261 3.928 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.768 9.213 6.258 1.00 0.00 C ATOM 0 H1 VAL A 1 5.935 12.566 5.187 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.695 11.908 6.734 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.217 11.795 5.990 1.00 0.00 H new ATOM 0 HA VAL A 1 5.352 10.682 4.237 1.00 0.00 H new ATOM 0 HB VAL A 1 6.658 8.648 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.820 9.621 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.416 10.408 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.289 11.226 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.620 8.578 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.120 10.118 6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.094 8.674 6.924 1.00 0.00 H new ATOM 19 N ARG A 2 4.368 8.573 5.720 1.00 0.00 N ATOM 20 CA ARG A 2 3.593 7.691 6.544 1.00 0.00 C ATOM 21 C ARG A 2 4.409 6.452 6.373 1.00 0.00 C ATOM 22 O ARG A 2 5.264 6.424 5.489 1.00 0.00 O ATOM 23 CB ARG A 2 2.138 7.414 6.061 1.00 0.00 C ATOM 24 CG ARG A 2 1.983 7.049 4.567 1.00 0.00 C ATOM 25 CD ARG A 2 1.565 8.215 3.649 1.00 0.00 C ATOM 26 NE ARG A 2 0.080 8.464 3.755 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.475 9.557 4.362 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.282 10.451 5.061 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.823 9.754 4.261 1.00 0.00 N ATOM 0 H ARG A 2 4.609 8.164 4.817 1.00 0.00 H new ATOM 0 HA ARG A 2 3.439 8.086 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.725 6.601 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.533 8.298 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.930 6.645 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.243 6.254 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.112 9.117 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.829 7.986 2.617 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.550 7.773 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.289 10.313 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.159 11.257 5.503 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.398 9.092 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.255 10.563 4.707 1.00 0.00 H new ATOM 43 N ASP A 3 4.160 5.395 7.168 1.00 0.00 N ATOM 44 CA ASP A 3 4.722 4.088 6.951 1.00 0.00 C ATOM 45 C ASP A 3 3.425 3.386 7.073 1.00 0.00 C ATOM 46 O ASP A 3 2.654 3.761 7.958 1.00 0.00 O ATOM 47 CB ASP A 3 5.663 3.567 8.068 1.00 0.00 C ATOM 48 CG ASP A 3 6.917 4.434 8.168 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.710 4.448 7.190 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.104 5.086 9.229 1.00 0.00 O ATOM 0 H ASP A 3 3.552 5.446 7.985 1.00 0.00 H new ATOM 0 HA ASP A 3 5.340 3.996 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.137 3.568 9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.945 2.535 7.861 1.00 0.00 H new ATOM 55 N GLY A 4 3.078 2.458 6.165 1.00 0.00 N ATOM 56 CA GLY A 4 1.752 1.922 6.244 1.00 0.00 C ATOM 57 C GLY A 4 1.741 0.659 5.485 1.00 0.00 C ATOM 58 O GLY A 4 2.733 0.274 4.869 1.00 0.00 O ATOM 0 H GLY A 4 3.671 2.095 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.470 1.748 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.029 2.625 5.830 1.00 0.00 H new ATOM 62 N TYR A 5 0.550 0.039 5.427 1.00 0.00 N ATOM 63 CA TYR A 5 0.215 -0.915 4.408 1.00 0.00 C ATOM 64 C TYR A 5 -0.107 -0.043 3.233 1.00 0.00 C ATOM 65 O TYR A 5 -0.842 0.925 3.413 1.00 0.00 O ATOM 66 CB TYR A 5 -1.036 -1.739 4.773 1.00 0.00 C ATOM 67 CG TYR A 5 -0.677 -2.838 5.723 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.195 -4.053 5.220 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.819 -2.683 7.113 1.00 0.00 C ATOM 70 CE1 TYR A 5 0.117 -5.105 6.082 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.518 -3.742 7.980 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.061 -4.967 7.465 1.00 0.00 C ATOM 73 OH TYR A 5 0.217 -6.057 8.324 1.00 0.00 O ATOM 0 H TYR A 5 -0.199 0.201 6.101 1.00 0.00 H new ATOM 0 HA TYR A 5 1.017 -1.635 4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.788 -1.091 5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.478 -2.160 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.064 -4.177 4.155 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.162 -1.741 7.515 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.498 -6.032 5.680 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.637 -3.616 9.046 1.00 0.00 H new ATOM 0 HH TYR A 5 0.043 -5.795 9.252 1.00 0.00 H new ATOM 83 N ILE A 6 0.454 -0.291 2.027 1.00 0.00 N ATOM 84 CA ILE A 6 0.150 0.537 0.885 1.00 0.00 C ATOM 85 C ILE A 6 -1.032 -0.111 0.229 1.00 0.00 C ATOM 86 O ILE A 6 -1.136 -1.350 0.126 1.00 0.00 O ATOM 87 CB ILE A 6 1.292 0.862 -0.089 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.932 2.015 -1.075 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.785 -0.400 -0.803 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.021 2.301 -2.115 1.00 0.00 C ATOM 0 H ILE A 6 1.108 -1.052 1.842 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.061 1.546 1.241 1.00 0.00 H new ATOM 0 HB ILE A 6 2.125 1.240 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.006 1.763 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.741 2.923 -0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.593 -0.139 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.149 -1.116 -0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.964 -0.844 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.699 3.115 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.943 2.585 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.197 1.407 -2.713 1.00 0.00 H new ATOM 102 N ALA A 7 -1.957 0.787 -0.160 1.00 0.00 N ATOM 103 CA ALA A 7 -3.170 0.517 -0.856 1.00 0.00 C ATOM 104 C ALA A 7 -2.908 0.693 -2.313 1.00 0.00 C ATOM 105 O ALA A 7 -1.812 0.435 -2.797 1.00 0.00 O ATOM 106 CB ALA A 7 -4.277 1.504 -0.441 1.00 0.00 C ATOM 0 H ALA A 7 -1.841 1.782 0.031 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.499 -0.495 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.192 1.275 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.462 1.415 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.962 2.522 -0.671 1.00 0.00 H new ATOM 112 N GLN A 8 -3.931 1.202 -3.022 1.00 0.00 N ATOM 113 CA GLN A 8 -3.830 1.732 -4.346 1.00 0.00 C ATOM 114 C GLN A 8 -4.041 3.160 -3.961 1.00 0.00 C ATOM 115 O GLN A 8 -4.747 3.349 -2.968 1.00 0.00 O ATOM 116 CB GLN A 8 -4.963 1.226 -5.265 1.00 0.00 C ATOM 117 CG GLN A 8 -4.834 -0.282 -5.529 1.00 0.00 C ATOM 118 CD GLN A 8 -6.117 -0.807 -6.169 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.516 -0.344 -7.245 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.777 -1.799 -5.504 1.00 0.00 N ATOM 0 H GLN A 8 -4.880 1.246 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.928 1.487 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.929 1.436 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.936 1.767 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.985 -0.474 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.641 -0.809 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.411 -2.151 -4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.636 -2.189 -5.892 1.00 0.00 H new ATOM 129 N PRO A 9 -3.459 4.168 -4.605 1.00 0.00 N ATOM 130 CA PRO A 9 -3.016 5.387 -3.928 1.00 0.00 C ATOM 131 C PRO A 9 -4.136 6.331 -3.577 1.00 0.00 C ATOM 132 O PRO A 9 -3.856 7.443 -3.130 1.00 0.00 O ATOM 133 CB PRO A 9 -2.046 6.047 -4.928 1.00 0.00 C ATOM 134 CG PRO A 9 -2.385 5.431 -6.289 1.00 0.00 C ATOM 135 CD PRO A 9 -2.829 4.018 -5.917 1.00 0.00 C ATOM 0 HA PRO A 9 -2.560 5.145 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.174 7.129 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.009 5.853 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.175 5.983 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.523 5.422 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.528 3.615 -6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.982 3.333 -5.875 1.00 0.00 H new ATOM 143 N GLU A 10 -5.396 5.900 -3.769 1.00 0.00 N ATOM 144 CA GLU A 10 -6.607 6.580 -3.445 1.00 0.00 C ATOM 145 C GLU A 10 -6.869 6.159 -2.025 1.00 0.00 C ATOM 146 O GLU A 10 -6.637 6.895 -1.069 1.00 0.00 O ATOM 147 CB GLU A 10 -7.765 6.112 -4.370 1.00 0.00 C ATOM 148 CG GLU A 10 -7.605 6.473 -5.866 1.00 0.00 C ATOM 149 CD GLU A 10 -6.562 5.603 -6.573 1.00 0.00 C ATOM 150 OE1 GLU A 10 -6.617 4.353 -6.414 1.00 0.00 O ATOM 151 OE2 GLU A 10 -5.698 6.181 -7.284 1.00 0.00 O ATOM 0 H GLU A 10 -5.579 4.990 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.535 7.661 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.862 5.030 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.696 6.546 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.566 6.361 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.319 7.521 -5.955 1.00 0.00 H new ATOM 158 N ASN A 11 -7.352 4.917 -1.886 1.00 0.00 N ATOM 159 CA ASN A 11 -7.730 4.250 -0.692 1.00 0.00 C ATOM 160 C ASN A 11 -8.050 2.969 -1.396 1.00 0.00 C ATOM 161 O ASN A 11 -8.496 3.068 -2.541 1.00 0.00 O ATOM 162 CB ASN A 11 -8.996 4.874 -0.053 1.00 0.00 C ATOM 163 CG ASN A 11 -9.526 4.061 1.129 1.00 0.00 C ATOM 164 OD1 ASN A 11 -10.159 3.010 0.957 1.00 0.00 O ATOM 165 ND2 ASN A 11 -9.288 4.587 2.361 1.00 0.00 N ATOM 0 H ASN A 11 -7.490 4.321 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.024 4.235 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.767 5.886 0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.776 4.957 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.636 4.113 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.761 5.456 2.452 1.00 0.00 H new ATOM 172 N CYS A 12 -7.778 1.799 -0.782 1.00 0.00 N ATOM 173 CA CYS A 12 -8.118 0.457 -1.215 1.00 0.00 C ATOM 174 C CYS A 12 -7.161 -0.369 -0.421 1.00 0.00 C ATOM 175 O CYS A 12 -6.733 0.078 0.639 1.00 0.00 O ATOM 176 CB CYS A 12 -8.106 0.123 -2.743 1.00 0.00 C ATOM 177 SG CYS A 12 -9.702 -0.546 -3.300 1.00 0.00 S ATOM 0 H CYS A 12 -7.272 1.784 0.103 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.177 0.267 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.872 1.024 -3.310 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.317 -0.599 -2.951 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.644 -0.805 -4.573 1.00 0.00 H new ATOM 182 N VAL A 13 -6.786 -1.568 -0.905 1.00 0.00 N ATOM 183 CA VAL A 13 -5.607 -2.278 -0.508 1.00 0.00 C ATOM 184 C VAL A 13 -4.989 -2.502 -1.854 1.00 0.00 C ATOM 185 O VAL A 13 -5.670 -2.348 -2.874 1.00 0.00 O ATOM 186 CB VAL A 13 -5.830 -3.618 0.185 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.021 -3.376 1.689 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.021 -4.376 -0.433 1.00 0.00 C ATOM 0 H VAL A 13 -7.332 -2.067 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.032 -1.728 0.237 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.955 -4.252 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.181 -4.329 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.132 -2.895 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.886 -2.732 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.154 -5.327 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.926 -3.778 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.826 -4.560 -1.490 1.00 0.00 H new ATOM 198 N TYR A 14 -3.691 -2.883 -1.886 1.00 0.00 N ATOM 199 CA TYR A 14 -3.085 -3.440 -3.070 1.00 0.00 C ATOM 200 C TYR A 14 -3.389 -4.907 -3.006 1.00 0.00 C ATOM 201 O TYR A 14 -4.421 -5.312 -2.483 1.00 0.00 O ATOM 202 CB TYR A 14 -1.567 -3.089 -3.259 1.00 0.00 C ATOM 203 CG TYR A 14 -1.281 -2.446 -4.602 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.841 -2.954 -5.792 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.435 -1.326 -4.693 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.630 -2.314 -7.020 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.218 -0.685 -5.919 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.834 -1.163 -7.082 1.00 0.00 C ATOM 209 OH TYR A 14 -0.655 -0.481 -8.304 1.00 0.00 O ATOM 0 H TYR A 14 -3.058 -2.805 -1.090 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.503 -2.993 -3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.252 -2.415 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.973 -3.997 -3.161 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.442 -3.851 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.054 -0.955 -3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.081 -2.708 -7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.426 0.180 -5.968 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.451 -0.598 -8.864 1.00 0.00 H new ATOM 219 N HIS A 15 -2.513 -5.755 -3.536 1.00 0.00 N ATOM 220 CA HIS A 15 -2.547 -7.155 -3.256 1.00 0.00 C ATOM 221 C HIS A 15 -1.081 -7.371 -3.209 1.00 0.00 C ATOM 222 O HIS A 15 -0.326 -6.433 -3.462 1.00 0.00 O ATOM 223 CB HIS A 15 -3.204 -8.048 -4.335 1.00 0.00 C ATOM 224 CG HIS A 15 -4.705 -8.033 -4.248 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.489 -7.039 -4.770 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.528 -8.885 -3.592 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.749 -7.282 -4.438 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.801 -8.398 -3.723 1.00 0.00 N ATOM 0 H HIS A 15 -1.765 -5.474 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.143 -7.416 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.896 -7.707 -5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.846 -9.071 -4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.235 -9.781 -3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.597 -6.670 -4.707 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.645 -8.821 -3.337 1.00 0.00 H new ATOM 237 N CYS A 16 -0.648 -8.594 -2.885 1.00 0.00 N ATOM 238 CA CYS A 16 0.722 -8.961 -2.736 1.00 0.00 C ATOM 239 C CYS A 16 0.632 -10.246 -3.471 1.00 0.00 C ATOM 240 O CYS A 16 -0.474 -10.770 -3.609 1.00 0.00 O ATOM 241 CB CYS A 16 1.103 -9.219 -1.246 1.00 0.00 C ATOM 242 SG CYS A 16 2.703 -10.049 -0.955 1.00 0.00 S ATOM 0 H CYS A 16 -1.287 -9.371 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 16 1.456 -8.229 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.114 -8.262 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.317 -9.821 -0.791 1.00 0.00 H new ATOM 247 N PHE A 17 1.759 -10.788 -3.954 1.00 0.00 N ATOM 248 CA PHE A 17 1.828 -12.108 -4.494 1.00 0.00 C ATOM 249 C PHE A 17 2.663 -12.723 -3.405 1.00 0.00 C ATOM 250 O PHE A 17 3.818 -12.308 -3.361 1.00 0.00 O ATOM 251 CB PHE A 17 2.606 -12.171 -5.843 1.00 0.00 C ATOM 252 CG PHE A 17 2.263 -11.039 -6.792 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.934 -10.644 -7.038 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.299 -10.344 -7.446 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.651 -9.561 -7.882 1.00 0.00 C ATOM 256 CE2 PHE A 17 3.020 -9.270 -8.298 1.00 0.00 C ATOM 257 CZ PHE A 17 1.695 -8.874 -8.509 1.00 0.00 C ATOM 0 H PHE A 17 2.651 -10.294 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 17 0.864 -12.563 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.676 -12.151 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.393 -13.122 -6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.123 -11.182 -6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.324 -10.645 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.372 -9.258 -8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.826 -8.748 -8.792 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.478 -8.037 -9.157 1.00 0.00 H new ATOM 267 N PRO A 18 2.200 -13.590 -2.492 1.00 0.00 N ATOM 268 CA PRO A 18 2.830 -13.773 -1.188 1.00 0.00 C ATOM 269 C PRO A 18 4.313 -14.072 -1.181 1.00 0.00 C ATOM 270 O PRO A 18 4.710 -15.199 -1.471 1.00 0.00 O ATOM 271 CB PRO A 18 2.029 -14.935 -0.591 1.00 0.00 C ATOM 272 CG PRO A 18 0.593 -14.650 -1.048 1.00 0.00 C ATOM 273 CD PRO A 18 0.771 -13.911 -2.385 1.00 0.00 C ATOM 0 HA PRO A 18 2.801 -12.839 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.384 -15.898 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.107 -14.960 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.023 -15.571 -1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.056 -14.039 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.449 -14.534 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.166 -13.005 -2.412 1.00 0.00 H new ATOM 281 N GLY A 19 5.141 -13.068 -0.844 1.00 0.00 N ATOM 282 CA GLY A 19 6.561 -13.144 -0.948 1.00 0.00 C ATOM 283 C GLY A 19 6.830 -11.684 -0.904 1.00 0.00 C ATOM 284 O GLY A 19 5.899 -10.926 -0.629 1.00 0.00 O ATOM 0 H GLY A 19 4.808 -12.172 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.022 -13.690 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.899 -13.614 -1.871 1.00 0.00 H new ATOM 288 N SER A 20 8.074 -11.245 -1.172 1.00 0.00 N ATOM 289 CA SER A 20 8.401 -9.841 -1.157 1.00 0.00 C ATOM 290 C SER A 20 8.116 -9.242 -2.510 1.00 0.00 C ATOM 291 O SER A 20 7.588 -8.136 -2.617 1.00 0.00 O ATOM 292 CB SER A 20 9.901 -9.613 -0.834 1.00 0.00 C ATOM 293 OG SER A 20 10.289 -10.372 0.310 1.00 0.00 O ATOM 0 H SER A 20 8.857 -11.858 -1.400 1.00 0.00 H new ATOM 0 HA SER A 20 7.794 -9.368 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.511 -9.899 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.083 -8.554 -0.653 1.00 0.00 H new ATOM 0 HG SER A 20 11.238 -10.218 0.498 1.00 0.00 H new ATOM 299 N SER A 21 8.493 -9.982 -3.578 1.00 0.00 N ATOM 300 CA SER A 21 8.790 -9.553 -4.921 1.00 0.00 C ATOM 301 C SER A 21 7.903 -8.480 -5.518 1.00 0.00 C ATOM 302 O SER A 21 8.382 -7.430 -5.958 1.00 0.00 O ATOM 303 CB SER A 21 8.801 -10.810 -5.829 1.00 0.00 C ATOM 304 OG SER A 21 9.296 -11.930 -5.086 1.00 0.00 O ATOM 0 H SER A 21 8.601 -10.992 -3.488 1.00 0.00 H new ATOM 0 HA SER A 21 9.760 -9.059 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.795 -11.018 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.427 -10.635 -6.704 1.00 0.00 H new ATOM 0 HG SER A 21 9.302 -12.725 -5.658 1.00 0.00 H new ATOM 310 N GLY A 22 6.574 -8.719 -5.536 1.00 0.00 N ATOM 311 CA GLY A 22 5.632 -7.826 -6.178 1.00 0.00 C ATOM 312 C GLY A 22 5.520 -6.537 -5.432 1.00 0.00 C ATOM 313 O GLY A 22 5.621 -5.456 -6.006 1.00 0.00 O ATOM 0 H GLY A 22 6.143 -9.536 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.951 -7.631 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.654 -8.303 -6.234 1.00 0.00 H new ATOM 317 N CYS A 23 5.334 -6.617 -4.098 1.00 0.00 N ATOM 318 CA CYS A 23 5.135 -5.443 -3.277 1.00 0.00 C ATOM 319 C CYS A 23 6.398 -4.666 -3.136 1.00 0.00 C ATOM 320 O CYS A 23 6.357 -3.442 -3.103 1.00 0.00 O ATOM 321 CB CYS A 23 4.648 -5.771 -1.864 1.00 0.00 C ATOM 322 SG CYS A 23 2.927 -6.322 -1.911 1.00 0.00 S ATOM 0 H CYS A 23 5.320 -7.496 -3.580 1.00 0.00 H new ATOM 0 HA CYS A 23 4.369 -4.864 -3.794 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.275 -6.548 -1.426 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.739 -4.892 -1.227 1.00 0.00 H new ATOM 327 N ASP A 24 7.558 -5.355 -3.098 1.00 0.00 N ATOM 328 CA ASP A 24 8.856 -4.710 -3.092 1.00 0.00 C ATOM 329 C ASP A 24 9.003 -3.861 -4.340 1.00 0.00 C ATOM 330 O ASP A 24 9.359 -2.686 -4.276 1.00 0.00 O ATOM 331 CB ASP A 24 10.007 -5.748 -3.013 1.00 0.00 C ATOM 332 CG ASP A 24 11.342 -5.088 -2.657 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.455 -4.584 -1.509 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.263 -5.092 -3.517 1.00 0.00 O ATOM 0 H ASP A 24 7.604 -6.374 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 24 8.921 -4.078 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.764 -6.504 -2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.099 -6.263 -3.969 1.00 0.00 H new ATOM 339 N THR A 25 8.645 -4.434 -5.507 1.00 0.00 N ATOM 340 CA THR A 25 8.673 -3.732 -6.772 1.00 0.00 C ATOM 341 C THR A 25 7.680 -2.588 -6.781 1.00 0.00 C ATOM 342 O THR A 25 8.036 -1.468 -7.154 1.00 0.00 O ATOM 343 CB THR A 25 8.349 -4.649 -7.937 1.00 0.00 C ATOM 344 OG1 THR A 25 9.154 -5.824 -7.892 1.00 0.00 O ATOM 345 CG2 THR A 25 8.607 -3.937 -9.283 1.00 0.00 C ATOM 0 H THR A 25 8.330 -5.401 -5.581 1.00 0.00 H new ATOM 0 HA THR A 25 9.688 -3.350 -6.887 1.00 0.00 H new ATOM 0 HB THR A 25 7.296 -4.917 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.780 -6.452 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.368 -4.613 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.980 -3.048 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.656 -3.647 -9.346 1.00 0.00 H new ATOM 353 N LEU A 26 6.410 -2.835 -6.354 1.00 0.00 N ATOM 354 CA LEU A 26 5.356 -1.838 -6.374 1.00 0.00 C ATOM 355 C LEU A 26 5.736 -0.675 -5.511 1.00 0.00 C ATOM 356 O LEU A 26 5.590 0.485 -5.886 1.00 0.00 O ATOM 357 CB LEU A 26 3.987 -2.338 -5.856 1.00 0.00 C ATOM 358 CG LEU A 26 3.259 -3.315 -6.806 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.075 -3.982 -6.083 1.00 0.00 C ATOM 360 CD2 LEU A 26 2.807 -2.633 -8.115 1.00 0.00 C ATOM 0 H LEU A 26 6.111 -3.739 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 26 5.248 -1.572 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.134 -2.829 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.343 -1.476 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 26 3.972 -4.088 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.572 -4.668 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.442 -4.535 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.372 -3.217 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.301 -3.361 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.123 -1.817 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.678 -2.239 -8.639 1.00 0.00 H new ATOM 372 N CYS A 27 6.281 -0.971 -4.322 1.00 0.00 N ATOM 373 CA CYS A 27 6.710 0.026 -3.380 1.00 0.00 C ATOM 374 C CYS A 27 7.720 0.962 -3.990 1.00 0.00 C ATOM 375 O CYS A 27 7.603 2.179 -3.842 1.00 0.00 O ATOM 376 CB CYS A 27 7.306 -0.606 -2.099 1.00 0.00 C ATOM 377 SG CYS A 27 7.240 0.519 -0.691 1.00 0.00 S ATOM 0 H CYS A 27 6.430 -1.928 -4.001 1.00 0.00 H new ATOM 0 HA CYS A 27 5.819 0.591 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.761 -1.519 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.341 -0.893 -2.285 1.00 0.00 H new ATOM 382 N LYS A 28 8.708 0.415 -4.735 1.00 0.00 N ATOM 383 CA LYS A 28 9.795 1.221 -5.243 1.00 0.00 C ATOM 384 C LYS A 28 9.371 2.029 -6.441 1.00 0.00 C ATOM 385 O LYS A 28 9.868 3.134 -6.645 1.00 0.00 O ATOM 386 CB LYS A 28 11.056 0.398 -5.593 1.00 0.00 C ATOM 387 CG LYS A 28 11.684 -0.238 -4.339 1.00 0.00 C ATOM 388 CD LYS A 28 13.078 -0.855 -4.547 1.00 0.00 C ATOM 389 CE LYS A 28 14.180 0.194 -4.758 1.00 0.00 C ATOM 390 NZ LYS A 28 15.514 -0.440 -4.853 1.00 0.00 N ATOM 0 H LYS A 28 8.758 -0.573 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 28 10.060 1.894 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.795 -0.384 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.788 1.042 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.753 0.522 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.013 -1.013 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.330 -1.468 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.049 -1.520 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.978 0.759 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.171 0.905 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.238 0.293 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.715 -0.959 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.528 -1.101 -5.656 1.00 0.00 H new ATOM 404 N GLU A 29 8.426 1.515 -7.261 1.00 0.00 N ATOM 405 CA GLU A 29 7.936 2.275 -8.395 1.00 0.00 C ATOM 406 C GLU A 29 6.973 3.342 -7.945 1.00 0.00 C ATOM 407 O GLU A 29 6.897 4.392 -8.581 1.00 0.00 O ATOM 408 CB GLU A 29 7.291 1.432 -9.528 1.00 0.00 C ATOM 409 CG GLU A 29 6.026 0.661 -9.125 1.00 0.00 C ATOM 410 CD GLU A 29 5.528 -0.213 -10.272 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.296 -1.114 -10.706 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.370 -0.002 -10.720 1.00 0.00 O ATOM 0 H GLU A 29 8.004 0.593 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 29 8.829 2.722 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.045 2.094 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.030 0.720 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.237 0.039 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.245 1.364 -8.833 1.00 0.00 H new ATOM 419 N LYS A 30 6.212 3.119 -6.841 1.00 0.00 N ATOM 420 CA LYS A 30 5.313 4.138 -6.339 1.00 0.00 C ATOM 421 C LYS A 30 6.092 5.174 -5.575 1.00 0.00 C ATOM 422 O LYS A 30 5.929 6.367 -5.823 1.00 0.00 O ATOM 423 CB LYS A 30 4.158 3.623 -5.442 1.00 0.00 C ATOM 424 CG LYS A 30 3.173 2.646 -6.122 1.00 0.00 C ATOM 425 CD LYS A 30 2.656 3.070 -7.506 1.00 0.00 C ATOM 426 CE LYS A 30 1.638 2.071 -8.078 1.00 0.00 C ATOM 427 NZ LYS A 30 1.265 2.416 -9.468 1.00 0.00 N ATOM 0 H LYS A 30 6.217 2.251 -6.305 1.00 0.00 H new ATOM 0 HA LYS A 30 4.840 4.555 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.590 3.129 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.596 4.482 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.662 1.677 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.316 2.506 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.194 4.055 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.497 3.162 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.058 1.066 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.746 2.060 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.577 1.723 -9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.842 3.366 -9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.114 2.402 -10.069 1.00 0.00 H new ATOM 441 N GLY A 31 6.961 4.759 -4.631 1.00 0.00 N ATOM 442 CA GLY A 31 7.836 5.696 -3.966 1.00 0.00 C ATOM 443 C GLY A 31 7.781 5.488 -2.494 1.00 0.00 C ATOM 444 O GLY A 31 7.654 6.445 -1.726 1.00 0.00 O ATOM 0 H GLY A 31 7.062 3.790 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.858 5.567 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.541 6.717 -4.208 1.00 0.00 H new ATOM 448 N GLY A 32 7.900 4.223 -2.053 1.00 0.00 N ATOM 449 CA GLY A 32 8.250 3.905 -0.705 1.00 0.00 C ATOM 450 C GLY A 32 9.540 3.182 -0.828 1.00 0.00 C ATOM 451 O GLY A 32 9.891 2.701 -1.906 1.00 0.00 O ATOM 0 H GLY A 32 7.750 3.406 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.353 4.804 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.489 3.285 -0.231 1.00 0.00 H new ATOM 455 N THR A 33 10.288 3.116 0.289 1.00 0.00 N ATOM 456 CA THR A 33 11.682 2.753 0.327 1.00 0.00 C ATOM 457 C THR A 33 11.871 1.322 -0.115 1.00 0.00 C ATOM 458 O THR A 33 12.641 1.001 -1.023 1.00 0.00 O ATOM 459 CB THR A 33 12.253 2.936 1.734 1.00 0.00 C ATOM 460 OG1 THR A 33 11.618 4.030 2.393 1.00 0.00 O ATOM 461 CG2 THR A 33 13.769 3.202 1.653 1.00 0.00 C ATOM 0 H THR A 33 9.908 3.325 1.212 1.00 0.00 H new ATOM 0 HA THR A 33 12.217 3.411 -0.358 1.00 0.00 H new ATOM 0 HB THR A 33 12.069 2.024 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.931 3.690 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.170 3.332 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.261 2.357 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.949 4.106 1.071 1.00 0.00 H new ATOM 469 N SER A 34 11.160 0.399 0.546 1.00 0.00 N ATOM 470 CA SER A 34 11.060 -0.967 0.161 1.00 0.00 C ATOM 471 C SER A 34 9.829 -1.288 0.931 1.00 0.00 C ATOM 472 O SER A 34 9.301 -0.408 1.627 1.00 0.00 O ATOM 473 CB SER A 34 12.282 -1.829 0.542 1.00 0.00 C ATOM 474 OG SER A 34 13.363 -1.470 -0.313 1.00 0.00 O ATOM 0 H SER A 34 10.629 0.616 1.390 1.00 0.00 H new ATOM 0 HA SER A 34 11.024 -1.159 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.552 -1.666 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.048 -2.888 0.435 1.00 0.00 H new ATOM 0 HG SER A 34 13.094 -0.719 -0.883 1.00 0.00 H new ATOM 480 N GLY A 35 9.324 -2.523 0.816 1.00 0.00 N ATOM 481 CA GLY A 35 7.990 -2.811 1.215 1.00 0.00 C ATOM 482 C GLY A 35 8.038 -4.278 1.350 1.00 0.00 C ATOM 483 O GLY A 35 9.070 -4.885 1.057 1.00 0.00 O ATOM 0 H GLY A 35 9.840 -3.322 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.726 -2.321 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.260 -2.490 0.471 1.00 0.00 H new ATOM 487 N HIS A 36 6.930 -4.862 1.831 1.00 0.00 N ATOM 488 CA HIS A 36 6.836 -6.229 2.259 1.00 0.00 C ATOM 489 C HIS A 36 5.368 -6.457 2.108 1.00 0.00 C ATOM 490 O HIS A 36 4.739 -5.763 1.308 1.00 0.00 O ATOM 491 CB HIS A 36 7.290 -6.474 3.722 1.00 0.00 C ATOM 492 CG HIS A 36 8.685 -5.966 3.971 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.939 -4.768 4.585 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.876 -6.466 3.567 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.247 -4.549 4.553 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.839 -5.565 3.938 1.00 0.00 N ATOM 0 H HIS A 36 6.049 -4.357 1.929 1.00 0.00 H new ATOM 0 HA HIS A 36 7.486 -6.896 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.597 -5.981 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.248 -7.541 3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.037 -7.400 3.049 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.749 -3.684 4.961 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.841 -5.659 3.770 1.00 0.00 H new ATOM 505 N CYS A 37 4.744 -7.377 2.872 1.00 0.00 N ATOM 506 CA CYS A 37 3.357 -7.716 2.691 1.00 0.00 C ATOM 507 C CYS A 37 2.893 -8.046 4.060 1.00 0.00 C ATOM 508 O CYS A 37 3.695 -8.029 4.994 1.00 0.00 O ATOM 509 CB CYS A 37 3.093 -8.963 1.811 1.00 0.00 C ATOM 510 SG CYS A 37 3.775 -8.757 0.155 1.00 0.00 S ATOM 0 H CYS A 37 5.203 -7.892 3.623 1.00 0.00 H new ATOM 0 HA CYS A 37 2.855 -6.889 2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.534 -9.842 2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.020 -9.142 1.744 1.00 0.00 H new ATOM 515 N GLY A 38 1.591 -8.356 4.179 1.00 0.00 N ATOM 516 CA GLY A 38 0.919 -8.730 5.376 1.00 0.00 C ATOM 517 C GLY A 38 -0.453 -8.697 4.798 1.00 0.00 C ATOM 518 O GLY A 38 -0.591 -8.802 3.574 1.00 0.00 O ATOM 0 H GLY A 38 0.964 -8.343 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.210 -9.712 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.063 -8.024 6.194 1.00 0.00 H new ATOM 522 N PHE A 39 -1.497 -8.531 5.627 1.00 0.00 N ATOM 523 CA PHE A 39 -2.860 -8.591 5.186 1.00 0.00 C ATOM 524 C PHE A 39 -3.398 -7.478 6.016 1.00 0.00 C ATOM 525 O PHE A 39 -2.899 -7.299 7.128 1.00 0.00 O ATOM 526 CB PHE A 39 -3.519 -9.936 5.608 1.00 0.00 C ATOM 527 CG PHE A 39 -4.771 -10.286 4.845 1.00 0.00 C ATOM 528 CD1 PHE A 39 -6.036 -9.868 5.291 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.699 -11.138 3.729 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.203 -10.317 4.661 1.00 0.00 C ATOM 531 CE2 PHE A 39 -5.862 -11.573 3.080 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.114 -11.169 3.551 1.00 0.00 C ATOM 0 H PHE A 39 -1.395 -8.351 6.626 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.017 -8.520 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.793 -10.738 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.757 -9.892 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.109 -9.192 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.734 -11.462 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.170 -10.008 5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.791 -12.219 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.013 -11.513 3.060 1.00 0.00 H new ATOM 542 N LYS A 40 -4.393 -6.712 5.522 1.00 0.00 N ATOM 543 CA LYS A 40 -5.028 -5.702 6.323 1.00 0.00 C ATOM 544 C LYS A 40 -6.437 -6.194 6.437 1.00 0.00 C ATOM 545 O LYS A 40 -7.263 -6.003 5.541 1.00 0.00 O ATOM 546 CB LYS A 40 -4.965 -4.281 5.711 1.00 0.00 C ATOM 547 CG LYS A 40 -5.230 -3.135 6.712 1.00 0.00 C ATOM 548 CD LYS A 40 -6.675 -3.036 7.232 1.00 0.00 C ATOM 549 CE LYS A 40 -6.970 -1.682 7.893 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.358 -1.617 8.407 1.00 0.00 N ATOM 0 H LYS A 40 -4.757 -6.791 4.572 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.526 -5.577 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.981 -4.135 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.694 -4.215 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.562 -3.258 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.968 -2.191 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.367 -3.191 6.404 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.854 -3.835 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.270 -1.516 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.811 -0.881 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.522 -0.689 8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.026 -1.751 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.502 -2.366 9.115 1.00 0.00 H new ATOM 564 N VAL A 41 -6.747 -6.875 7.564 1.00 0.00 N ATOM 565 CA VAL A 41 -8.039 -7.467 7.793 1.00 0.00 C ATOM 566 C VAL A 41 -8.990 -6.326 8.020 1.00 0.00 C ATOM 567 O VAL A 41 -8.777 -5.492 8.897 1.00 0.00 O ATOM 568 CB VAL A 41 -8.096 -8.426 8.979 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.368 -9.294 8.857 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.826 -9.306 9.027 1.00 0.00 C ATOM 0 H VAL A 41 -6.089 -7.017 8.330 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.295 -8.078 6.927 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.136 -7.859 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.420 -9.984 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.249 -8.652 8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.334 -9.860 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.885 -9.983 9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.750 -9.886 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.946 -8.670 9.129 1.00 0.00 H new ATOM 580 N GLY A 42 -10.021 -6.231 7.166 1.00 0.00 N ATOM 581 CA GLY A 42 -10.848 -5.063 7.098 1.00 0.00 C ATOM 582 C GLY A 42 -11.028 -4.836 5.641 1.00 0.00 C ATOM 583 O GLY A 42 -12.102 -4.442 5.199 1.00 0.00 O ATOM 0 H GLY A 42 -10.287 -6.970 6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.803 -5.220 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.373 -4.208 7.580 1.00 0.00 H new ATOM 587 N HIS A 43 -9.969 -5.086 4.842 1.00 0.00 N ATOM 588 CA HIS A 43 -10.050 -4.937 3.413 1.00 0.00 C ATOM 589 C HIS A 43 -9.627 -6.236 2.793 1.00 0.00 C ATOM 590 O HIS A 43 -10.423 -6.892 2.124 1.00 0.00 O ATOM 591 CB HIS A 43 -9.137 -3.818 2.870 1.00 0.00 C ATOM 592 CG HIS A 43 -9.668 -2.413 3.017 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.228 -1.397 2.207 1.00 0.00 N ATOM 594 CD2 HIS A 43 -10.523 -1.860 3.910 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.799 -0.267 2.597 1.00 0.00 C ATOM 596 NE2 HIS A 43 -10.592 -0.520 3.629 1.00 0.00 N ATOM 0 H HIS A 43 -9.057 -5.391 5.183 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.076 -4.668 3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.176 -3.879 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.950 -4.008 1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.052 -2.378 4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.644 0.703 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.157 0.166 4.129 1.00 0.00 H new ATOM 605 N GLY A 44 -8.355 -6.654 2.962 1.00 0.00 N ATOM 606 CA GLY A 44 -7.900 -7.788 2.216 1.00 0.00 C ATOM 607 C GLY A 44 -6.415 -7.817 2.320 1.00 0.00 C ATOM 608 O GLY A 44 -5.827 -7.178 3.193 1.00 0.00 O ATOM 0 H GLY A 44 -7.670 -6.228 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.331 -8.707 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.211 -7.713 1.174 1.00 0.00 H new ATOM 612 N LEU A 45 -5.788 -8.559 1.379 1.00 0.00 N ATOM 613 CA LEU A 45 -4.366 -8.739 1.190 1.00 0.00 C ATOM 614 C LEU A 45 -3.849 -7.415 0.706 1.00 0.00 C ATOM 615 O LEU A 45 -4.572 -6.737 -0.016 1.00 0.00 O ATOM 616 CB LEU A 45 -4.151 -9.828 0.101 1.00 0.00 C ATOM 617 CG LEU A 45 -2.706 -10.244 -0.260 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.918 -10.853 0.915 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.734 -11.241 -1.434 1.00 0.00 C ATOM 0 H LEU A 45 -6.324 -9.081 0.686 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.855 -9.051 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.683 -10.724 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.633 -9.481 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.184 -9.328 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.915 -11.119 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.851 -10.125 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.430 -11.746 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.715 -11.533 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.304 -12.125 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.202 -10.771 -2.299 1.00 0.00 H new ATOM 631 N ALA A 46 -2.635 -6.980 1.105 1.00 0.00 N ATOM 632 CA ALA A 46 -2.225 -5.627 0.864 1.00 0.00 C ATOM 633 C ALA A 46 -0.741 -5.713 0.800 1.00 0.00 C ATOM 634 O ALA A 46 -0.200 -6.800 1.005 1.00 0.00 O ATOM 635 CB ALA A 46 -2.626 -4.686 2.017 1.00 0.00 C ATOM 0 H ALA A 46 -1.946 -7.557 1.588 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.690 -5.224 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.295 -3.672 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.710 -4.696 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.157 -5.023 2.942 1.00 0.00 H new ATOM 641 N CYS A 47 -0.056 -4.573 0.543 1.00 0.00 N ATOM 642 CA CYS A 47 1.389 -4.558 0.516 1.00 0.00 C ATOM 643 C CYS A 47 1.742 -3.735 1.710 1.00 0.00 C ATOM 644 O CYS A 47 0.891 -2.986 2.171 1.00 0.00 O ATOM 645 CB CYS A 47 1.953 -3.788 -0.698 1.00 0.00 C ATOM 646 SG CYS A 47 1.888 -4.642 -2.283 1.00 0.00 S ATOM 0 H CYS A 47 -0.494 -3.671 0.356 1.00 0.00 H new ATOM 0 HA CYS A 47 1.779 -5.576 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.407 -2.849 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.992 -3.533 -0.489 1.00 0.00 H new ATOM 651 N TRP A 48 2.996 -3.813 2.212 1.00 0.00 N ATOM 652 CA TRP A 48 3.529 -2.870 3.184 1.00 0.00 C ATOM 653 C TRP A 48 4.403 -1.948 2.378 1.00 0.00 C ATOM 654 O TRP A 48 4.932 -2.383 1.357 1.00 0.00 O ATOM 655 CB TRP A 48 4.367 -3.522 4.330 1.00 0.00 C ATOM 656 CG TRP A 48 4.984 -2.566 5.350 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.233 -1.999 5.350 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.300 -2.025 6.495 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.356 -1.115 6.397 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.183 -1.111 7.111 1.00 0.00 C ATOM 661 CE3 TRP A 48 3.024 -2.245 7.008 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.804 -0.402 8.246 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.644 -1.530 8.154 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.520 -0.619 8.763 1.00 0.00 C ATOM 0 H TRP A 48 3.658 -4.541 1.944 1.00 0.00 H new ATOM 0 HA TRP A 48 2.706 -2.374 3.699 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.727 -4.224 4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.170 -4.103 3.877 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.009 -2.216 4.631 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.182 -0.555 6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.348 -2.944 6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.481 0.296 8.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.661 -1.684 8.574 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.201 -0.078 9.642 1.00 0.00 H new ATOM 675 N CYS A 49 4.581 -0.677 2.823 1.00 0.00 N ATOM 676 CA CYS A 49 5.623 0.185 2.325 1.00 0.00 C ATOM 677 C CYS A 49 6.101 0.928 3.526 1.00 0.00 C ATOM 678 O CYS A 49 5.298 1.333 4.368 1.00 0.00 O ATOM 679 CB CYS A 49 5.178 1.268 1.313 1.00 0.00 C ATOM 680 SG CYS A 49 5.246 0.706 -0.400 1.00 0.00 S ATOM 0 H CYS A 49 3.994 -0.245 3.536 1.00 0.00 H new ATOM 0 HA CYS A 49 6.346 -0.443 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.160 1.579 1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.814 2.146 1.427 1.00 0.00 H new ATOM 685 N ASN A 50 7.430 1.148 3.615 1.00 0.00 N ATOM 686 CA ASN A 50 8.015 1.950 4.658 1.00 0.00 C ATOM 687 C ASN A 50 8.370 3.212 3.939 1.00 0.00 C ATOM 688 O ASN A 50 9.293 3.205 3.121 1.00 0.00 O ATOM 689 CB ASN A 50 9.301 1.322 5.274 1.00 0.00 C ATOM 690 CG ASN A 50 9.161 1.261 6.801 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.272 0.551 7.288 1.00 0.00 O ATOM 692 ND2 ASN A 50 10.039 1.976 7.560 1.00 0.00 N ATOM 0 H ASN A 50 8.109 0.766 2.956 1.00 0.00 H new ATOM 0 HA ASN A 50 7.333 2.071 5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.458 0.321 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.174 1.915 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.980 1.940 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.755 2.547 7.110 1.00 0.00 H new ATOM 699 N ALA A 51 7.607 4.290 4.219 1.00 0.00 N ATOM 700 CA ALA A 51 7.625 5.576 3.590 1.00 0.00 C ATOM 701 C ALA A 51 6.650 5.499 2.466 1.00 0.00 C ATOM 702 O ALA A 51 6.623 4.525 1.725 1.00 0.00 O ATOM 703 CB ALA A 51 8.963 6.168 3.105 1.00 0.00 C ATOM 0 H ALA A 51 6.909 4.252 4.962 1.00 0.00 H new ATOM 0 HA ALA A 51 7.373 6.285 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.787 7.145 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.641 6.275 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.408 5.503 2.365 1.00 0.00 H new ATOM 709 N LEU A 52 5.824 6.535 2.329 1.00 0.00 N ATOM 710 CA LEU A 52 5.300 6.977 1.079 1.00 0.00 C ATOM 711 C LEU A 52 5.296 8.430 1.407 1.00 0.00 C ATOM 712 O LEU A 52 5.232 8.726 2.603 1.00 0.00 O ATOM 713 CB LEU A 52 3.821 6.638 0.776 1.00 0.00 C ATOM 714 CG LEU A 52 3.540 5.315 0.041 1.00 0.00 C ATOM 715 CD1 LEU A 52 4.581 4.951 -1.029 1.00 0.00 C ATOM 716 CD2 LEU A 52 3.255 4.168 1.006 1.00 0.00 C ATOM 0 H LEU A 52 5.504 7.093 3.120 1.00 0.00 H new ATOM 0 HA LEU A 52 5.852 6.560 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.278 6.622 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.403 7.450 0.182 1.00 0.00 H new ATOM 0 HG LEU A 52 2.623 5.491 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.306 4.006 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.614 5.735 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.562 4.854 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.063 3.256 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.117 4.017 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.382 4.410 1.611 1.00 0.00 H new ATOM 728 N PRO A 53 5.342 9.353 0.458 1.00 0.00 N ATOM 729 CA PRO A 53 5.009 10.737 0.707 1.00 0.00 C ATOM 730 C PRO A 53 3.523 10.853 0.948 1.00 0.00 C ATOM 731 O PRO A 53 2.766 9.919 0.687 1.00 0.00 O ATOM 732 CB PRO A 53 5.453 11.472 -0.567 1.00 0.00 C ATOM 733 CG PRO A 53 5.419 10.419 -1.681 1.00 0.00 C ATOM 734 CD PRO A 53 5.657 9.095 -0.950 1.00 0.00 C ATOM 0 HA PRO A 53 5.495 11.158 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.786 12.304 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.454 11.888 -0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.461 10.420 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.189 10.605 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.023 8.306 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.689 8.765 -1.065 1.00 0.00 H new ATOM 742 N ASP A 54 3.098 12.000 1.493 1.00 0.00 N ATOM 743 CA ASP A 54 1.802 12.158 2.102 1.00 0.00 C ATOM 744 C ASP A 54 0.667 12.248 1.118 1.00 0.00 C ATOM 745 O ASP A 54 -0.497 12.219 1.511 1.00 0.00 O ATOM 746 CB ASP A 54 1.767 13.460 2.922 1.00 0.00 C ATOM 747 CG ASP A 54 2.808 13.394 4.040 1.00 0.00 C ATOM 748 OD1 ASP A 54 2.591 12.620 5.010 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.844 14.104 3.926 1.00 0.00 O ATOM 0 H ASP A 54 3.665 12.848 1.516 1.00 0.00 H new ATOM 0 HA ASP A 54 1.664 11.265 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.968 14.314 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.774 13.608 3.345 1.00 0.00 H new ATOM 754 N ASN A 55 0.963 12.362 -0.191 1.00 0.00 N ATOM 755 CA ASN A 55 -0.056 12.446 -1.215 1.00 0.00 C ATOM 756 C ASN A 55 -0.515 11.065 -1.606 1.00 0.00 C ATOM 757 O ASN A 55 -1.529 10.916 -2.287 1.00 0.00 O ATOM 758 CB ASN A 55 0.380 13.232 -2.494 1.00 0.00 C ATOM 759 CG ASN A 55 1.632 12.662 -3.179 1.00 0.00 C ATOM 760 OD1 ASN A 55 2.510 12.090 -2.519 1.00 0.00 O ATOM 761 ND2 ASN A 55 1.736 12.855 -4.526 1.00 0.00 N ATOM 0 H ASN A 55 1.917 12.397 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.873 13.014 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.444 13.232 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.567 14.271 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.560 12.523 -5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.989 13.331 -5.032 1.00 0.00 H new ATOM 768 N VAL A 56 0.222 10.018 -1.179 1.00 0.00 N ATOM 769 CA VAL A 56 -0.108 8.650 -1.490 1.00 0.00 C ATOM 770 C VAL A 56 -1.061 8.200 -0.419 1.00 0.00 C ATOM 771 O VAL A 56 -0.720 8.197 0.764 1.00 0.00 O ATOM 772 CB VAL A 56 1.116 7.743 -1.516 1.00 0.00 C ATOM 773 CG1 VAL A 56 0.787 6.394 -2.195 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.261 8.509 -2.217 1.00 0.00 C ATOM 0 H VAL A 56 1.061 10.120 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.544 8.590 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 56 1.434 7.491 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.676 5.764 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.009 5.893 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.461 6.572 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.152 7.882 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.959 8.764 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.480 9.422 -1.663 1.00 0.00 H new ATOM 784 N GLY A 57 -2.300 7.828 -0.794 1.00 0.00 N ATOM 785 CA GLY A 57 -3.288 7.421 0.169 1.00 0.00 C ATOM 786 C GLY A 57 -3.104 5.962 0.388 1.00 0.00 C ATOM 787 O GLY A 57 -2.699 5.224 -0.513 1.00 0.00 O ATOM 0 H GLY A 57 -2.621 7.808 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.166 7.970 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.293 7.633 -0.196 1.00 0.00 H new ATOM 791 N ILE A 58 -3.373 5.512 1.624 1.00 0.00 N ATOM 792 CA ILE A 58 -3.112 4.160 2.023 1.00 0.00 C ATOM 793 C ILE A 58 -4.446 3.564 2.381 1.00 0.00 C ATOM 794 O ILE A 58 -5.468 3.971 1.835 1.00 0.00 O ATOM 795 CB ILE A 58 -2.035 4.065 3.094 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.369 4.831 4.390 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.712 4.569 2.469 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.359 4.512 5.493 1.00 0.00 C ATOM 0 H ILE A 58 -3.777 6.092 2.359 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.673 3.572 1.217 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.953 3.024 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.370 5.903 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.372 4.567 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.085 4.515 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.454 3.946 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.834 5.602 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.619 5.066 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.378 3.443 5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.360 4.800 5.166 1.00 0.00 H new ATOM 810 N ILE A 59 -4.479 2.539 3.269 1.00 0.00 N ATOM 811 CA ILE A 59 -5.644 1.692 3.455 1.00 0.00 C ATOM 812 C ILE A 59 -6.799 2.448 4.047 1.00 0.00 C ATOM 813 O ILE A 59 -7.965 2.155 3.776 1.00 0.00 O ATOM 814 CB ILE A 59 -5.381 0.452 4.310 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.025 -0.213 3.996 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.532 -0.559 4.113 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.809 -0.569 2.530 1.00 0.00 C ATOM 0 H ILE A 59 -3.691 2.291 3.867 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.894 1.356 2.449 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.336 0.773 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.226 0.457 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.935 -1.121 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.347 -1.444 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.474 -0.101 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.588 -0.846 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.829 -1.031 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.582 -1.267 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.861 0.336 1.924 1.00 0.00 H new ATOM 829 N VAL A 60 -6.508 3.474 4.864 1.00 0.00 N ATOM 830 CA VAL A 60 -7.547 4.303 5.380 1.00 0.00 C ATOM 831 C VAL A 60 -7.003 5.630 4.990 1.00 0.00 C ATOM 832 O VAL A 60 -5.794 5.766 4.798 1.00 0.00 O ATOM 833 CB VAL A 60 -7.806 4.190 6.873 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.253 3.658 6.965 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.836 3.184 7.534 1.00 0.00 C ATOM 0 H VAL A 60 -5.566 3.727 5.164 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.535 4.049 4.997 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.662 5.142 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.532 3.543 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.931 4.363 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.318 2.692 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.046 3.125 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.969 2.201 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.809 3.517 7.384 1.00 0.00 H new