USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 hydrogens (2 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -43:sc= 0.279 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0.854 (180deg=0.68) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.676 10.506 2.244 1.00 0.00 N ATOM 2 CA GLU A 1 5.714 9.476 1.161 1.00 0.00 C ATOM 3 C GLU A 1 6.225 8.136 1.710 1.00 0.00 C ATOM 4 O GLU A 1 6.795 8.073 2.783 1.00 0.00 O ATOM 5 CB GLU A 1 6.681 10.033 0.111 1.00 0.00 C ATOM 6 CG GLU A 1 5.922 10.297 -1.192 1.00 0.00 C ATOM 7 CD GLU A 1 6.900 10.788 -2.262 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.448 9.953 -2.963 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.085 11.990 -2.361 1.00 0.00 O ATOM 0 H1 GLU A 1 5.328 11.406 1.855 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.040 10.188 3.003 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.633 10.642 2.628 1.00 0.00 H new ATOM 0 HA GLU A 1 4.725 9.287 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.136 10.955 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.491 9.325 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.427 9.386 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.143 11.041 -1.027 1.00 0.00 H new ATOM 18 N CYS A 2 6.019 7.066 0.971 1.00 0.00 N ATOM 19 CA CYS A 2 6.480 5.709 1.420 1.00 0.00 C ATOM 20 C CYS A 2 5.809 5.317 2.746 1.00 0.00 C ATOM 21 O CYS A 2 6.295 5.626 3.819 1.00 0.00 O ATOM 22 CB CYS A 2 8.001 5.818 1.589 1.00 0.00 C ATOM 23 SG CYS A 2 8.771 4.227 1.191 1.00 0.00 S ATOM 0 H CYS A 2 5.546 7.076 0.067 1.00 0.00 H new ATOM 0 HA CYS A 2 6.214 4.937 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.395 6.598 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 2 8.244 6.105 2.612 1.00 0.00 H new ATOM 28 N LEU A 3 4.696 4.632 2.672 1.00 0.00 N ATOM 29 CA LEU A 3 3.983 4.209 3.917 1.00 0.00 C ATOM 30 C LEU A 3 4.483 2.832 4.369 1.00 0.00 C ATOM 31 O LEU A 3 4.867 2.006 3.560 1.00 0.00 O ATOM 32 CB LEU A 3 2.503 4.139 3.530 1.00 0.00 C ATOM 33 CG LEU A 3 1.943 5.554 3.354 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.671 5.497 2.504 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.612 6.146 4.727 1.00 0.00 C ATOM 0 H LEU A 3 4.249 4.346 1.801 1.00 0.00 H new ATOM 0 HA LEU A 3 4.154 4.900 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.386 3.575 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.941 3.609 4.300 1.00 0.00 H new ATOM 0 HG LEU A 3 2.685 6.179 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.272 6.504 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.905 5.075 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.071 4.872 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.213 7.153 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.870 5.521 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.517 6.186 5.334 1.00 0.00 H new ATOM 47 N GLY A 4 4.477 2.579 5.655 1.00 0.00 N ATOM 48 CA GLY A 4 4.948 1.256 6.168 1.00 0.00 C ATOM 49 C GLY A 4 3.912 0.172 5.848 1.00 0.00 C ATOM 50 O GLY A 4 2.901 0.430 5.221 1.00 0.00 O ATOM 0 H GLY A 4 4.165 3.234 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.906 1.001 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.109 1.310 7.245 1.00 0.00 H new ATOM 54 N PHE A 5 4.159 -1.042 6.276 1.00 0.00 N ATOM 55 CA PHE A 5 3.194 -2.152 6.000 1.00 0.00 C ATOM 56 C PHE A 5 1.951 -2.007 6.889 1.00 0.00 C ATOM 57 O PHE A 5 2.049 -1.721 8.067 1.00 0.00 O ATOM 58 CB PHE A 5 3.959 -3.440 6.333 1.00 0.00 C ATOM 59 CG PHE A 5 2.998 -4.606 6.420 1.00 0.00 C ATOM 60 CD1 PHE A 5 2.332 -5.057 5.273 1.00 0.00 C ATOM 61 CD2 PHE A 5 2.771 -5.234 7.651 1.00 0.00 C ATOM 62 CE1 PHE A 5 1.442 -6.134 5.357 1.00 0.00 C ATOM 63 CE2 PHE A 5 1.882 -6.311 7.734 1.00 0.00 C ATOM 64 CZ PHE A 5 1.217 -6.761 6.588 1.00 0.00 C ATOM 0 H PHE A 5 4.988 -1.312 6.805 1.00 0.00 H new ATOM 0 HA PHE A 5 2.843 -2.149 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.711 -3.634 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.489 -3.324 7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.505 -4.573 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.282 -4.887 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.929 -6.481 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.709 -6.796 8.684 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.530 -7.592 6.653 1.00 0.00 H new ATOM 74 N GLY A 6 0.785 -2.210 6.327 1.00 0.00 N ATOM 75 CA GLY A 6 -0.472 -2.092 7.123 1.00 0.00 C ATOM 76 C GLY A 6 -0.744 -0.622 7.464 1.00 0.00 C ATOM 77 O GLY A 6 -1.167 -0.303 8.559 1.00 0.00 O ATOM 0 H GLY A 6 0.651 -2.454 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.309 -2.503 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.388 -2.676 8.039 1.00 0.00 H new ATOM 81 N LYS A 7 -0.510 0.269 6.533 1.00 0.00 N ATOM 82 CA LYS A 7 -0.759 1.720 6.791 1.00 0.00 C ATOM 83 C LYS A 7 -1.956 2.195 5.963 1.00 0.00 C ATOM 84 O LYS A 7 -2.077 1.873 4.796 1.00 0.00 O ATOM 85 CB LYS A 7 0.520 2.435 6.344 1.00 0.00 C ATOM 86 CG LYS A 7 1.489 2.545 7.525 1.00 0.00 C ATOM 87 CD LYS A 7 1.061 3.697 8.440 1.00 0.00 C ATOM 88 CE LYS A 7 1.693 5.005 7.952 1.00 0.00 C ATOM 89 NZ LYS A 7 1.658 5.919 9.130 1.00 0.00 N ATOM 0 H LYS A 7 -0.156 0.052 5.601 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.988 1.922 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.988 1.886 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.279 3.428 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.503 1.610 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.503 2.714 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.025 3.786 8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.369 3.493 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.715 4.844 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.136 5.422 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.075 6.836 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.673 6.060 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.202 5.500 9.911 1.00 0.00 H new ATOM 103 N GLY A 8 -2.842 2.955 6.562 1.00 0.00 N ATOM 104 CA GLY A 8 -4.040 3.454 5.820 1.00 0.00 C ATOM 105 C GLY A 8 -3.597 4.254 4.590 1.00 0.00 C ATOM 106 O GLY A 8 -2.973 5.292 4.707 1.00 0.00 O ATOM 0 H GLY A 8 -2.785 3.251 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.664 2.615 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.648 4.081 6.473 1.00 0.00 H new ATOM 110 N CYS A 9 -3.915 3.774 3.412 1.00 0.00 N ATOM 111 CA CYS A 9 -3.517 4.500 2.164 1.00 0.00 C ATOM 112 C CYS A 9 -4.673 4.508 1.154 1.00 0.00 C ATOM 113 O CYS A 9 -5.736 3.971 1.407 1.00 0.00 O ATOM 114 CB CYS A 9 -2.317 3.721 1.609 1.00 0.00 C ATOM 115 SG CYS A 9 -2.746 1.971 1.416 1.00 0.00 S ATOM 0 H CYS A 9 -4.434 2.909 3.260 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.267 5.543 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.016 4.138 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.465 3.823 2.281 1.00 0.00 H new ATOM 120 N ASN A 10 -4.469 5.115 0.010 1.00 0.00 N ATOM 121 CA ASN A 10 -5.550 5.162 -1.022 1.00 0.00 C ATOM 122 C ASN A 10 -5.332 4.065 -2.071 1.00 0.00 C ATOM 123 O ASN A 10 -4.226 3.872 -2.538 1.00 0.00 O ATOM 124 CB ASN A 10 -5.427 6.542 -1.673 1.00 0.00 C ATOM 125 CG ASN A 10 -5.769 7.632 -0.654 1.00 0.00 C ATOM 126 OD1 ASN A 10 -6.800 7.583 -0.014 1.00 0.00 O ATOM 127 ND2 ASN A 10 -4.938 8.622 -0.476 1.00 0.00 N ATOM 0 H ASN A 10 -3.600 5.580 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.535 5.001 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.414 6.688 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.097 6.610 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.154 9.354 0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.072 8.664 -1.013 1.00 0.00 H new ATOM 134 N PRO A 11 -6.401 3.387 -2.419 1.00 0.00 N ATOM 135 CA PRO A 11 -6.318 2.308 -3.437 1.00 0.00 C ATOM 136 C PRO A 11 -6.039 2.906 -4.824 1.00 0.00 C ATOM 137 O PRO A 11 -5.278 2.359 -5.599 1.00 0.00 O ATOM 138 CB PRO A 11 -7.694 1.647 -3.376 1.00 0.00 C ATOM 139 CG PRO A 11 -8.604 2.699 -2.827 1.00 0.00 C ATOM 140 CD PRO A 11 -7.770 3.559 -1.912 1.00 0.00 C ATOM 0 HA PRO A 11 -5.512 1.598 -3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.019 1.320 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.680 0.764 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.036 3.295 -3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.434 2.247 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.082 4.603 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.855 3.238 -0.874 1.00 0.00 H new ATOM 148 N SER A 12 -6.634 4.037 -5.130 1.00 0.00 N ATOM 149 CA SER A 12 -6.388 4.686 -6.455 1.00 0.00 C ATOM 150 C SER A 12 -4.978 5.288 -6.483 1.00 0.00 C ATOM 151 O SER A 12 -4.268 5.184 -7.466 1.00 0.00 O ATOM 152 CB SER A 12 -7.442 5.791 -6.565 1.00 0.00 C ATOM 153 OG SER A 12 -7.896 5.875 -7.910 1.00 0.00 O ATOM 0 H SER A 12 -7.279 4.537 -4.518 1.00 0.00 H new ATOM 0 HA SER A 12 -6.457 3.979 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.279 5.579 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.019 6.745 -6.252 1.00 0.00 H new ATOM 0 HG SER A 12 -8.572 6.580 -7.984 1.00 0.00 H new ATOM 159 N ASN A 13 -4.569 5.906 -5.402 1.00 0.00 N ATOM 160 CA ASN A 13 -3.207 6.510 -5.339 1.00 0.00 C ATOM 161 C ASN A 13 -2.385 5.799 -4.258 1.00 0.00 C ATOM 162 O ASN A 13 -2.125 6.343 -3.200 1.00 0.00 O ATOM 163 CB ASN A 13 -3.439 7.980 -4.975 1.00 0.00 C ATOM 164 CG ASN A 13 -2.185 8.796 -5.300 1.00 0.00 C ATOM 165 OD1 ASN A 13 -1.216 8.761 -4.567 1.00 0.00 O ATOM 166 ND2 ASN A 13 -2.161 9.536 -6.375 1.00 0.00 N ATOM 0 H ASN A 13 -5.127 6.017 -4.555 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.657 6.416 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.293 8.371 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.678 8.069 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.330 10.084 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.973 9.567 -6.991 1.00 0.00 H new ATOM 173 N ASP A 14 -1.988 4.578 -4.518 1.00 0.00 N ATOM 174 CA ASP A 14 -1.189 3.811 -3.511 1.00 0.00 C ATOM 175 C ASP A 14 0.108 4.561 -3.171 1.00 0.00 C ATOM 176 O ASP A 14 0.815 5.031 -4.044 1.00 0.00 O ATOM 177 CB ASP A 14 -0.891 2.454 -4.169 1.00 0.00 C ATOM 178 CG ASP A 14 0.034 2.634 -5.380 1.00 0.00 C ATOM 179 OD1 ASP A 14 -0.464 2.994 -6.435 1.00 0.00 O ATOM 180 OD2 ASP A 14 1.224 2.405 -5.232 1.00 0.00 O ATOM 0 H ASP A 14 -2.183 4.078 -5.385 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.728 3.685 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.425 1.787 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.823 1.983 -4.483 1.00 0.00 H new ATOM 185 N GLN A 15 0.415 4.680 -1.904 1.00 0.00 N ATOM 186 CA GLN A 15 1.658 5.401 -1.489 1.00 0.00 C ATOM 187 C GLN A 15 2.489 4.532 -0.533 1.00 0.00 C ATOM 188 O GLN A 15 3.178 5.036 0.333 1.00 0.00 O ATOM 189 CB GLN A 15 1.159 6.661 -0.775 1.00 0.00 C ATOM 190 CG GLN A 15 1.238 7.858 -1.726 1.00 0.00 C ATOM 191 CD GLN A 15 1.296 9.153 -0.912 1.00 0.00 C ATOM 192 OE1 GLN A 15 2.359 9.699 -0.694 1.00 0.00 O ATOM 193 NE2 GLN A 15 0.190 9.670 -0.450 1.00 0.00 N ATOM 0 H GLN A 15 -0.143 4.308 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 15 2.302 5.636 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.132 6.518 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.761 6.850 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.121 7.775 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.371 7.869 -2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.703 9.212 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.218 10.532 0.094 1.00 0.00 H new ATOM 202 N CYS A 16 2.431 3.231 -0.687 1.00 0.00 N ATOM 203 CA CYS A 16 3.218 2.330 0.211 1.00 0.00 C ATOM 204 C CYS A 16 4.691 2.304 -0.218 1.00 0.00 C ATOM 205 O CYS A 16 5.044 2.781 -1.281 1.00 0.00 O ATOM 206 CB CYS A 16 2.582 0.948 0.046 1.00 0.00 C ATOM 207 SG CYS A 16 0.845 1.017 0.554 1.00 0.00 S ATOM 0 H CYS A 16 1.873 2.755 -1.396 1.00 0.00 H new ATOM 0 HA CYS A 16 3.199 2.664 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.656 0.624 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.119 0.215 0.648 1.00 0.00 H new ATOM 212 N CYS A 17 5.552 1.753 0.603 1.00 0.00 N ATOM 213 CA CYS A 17 7.004 1.700 0.245 1.00 0.00 C ATOM 214 C CYS A 17 7.261 0.591 -0.782 1.00 0.00 C ATOM 215 O CYS A 17 6.885 -0.551 -0.586 1.00 0.00 O ATOM 216 CB CYS A 17 7.736 1.399 1.556 1.00 0.00 C ATOM 217 SG CYS A 17 7.944 2.930 2.503 1.00 0.00 S ATOM 0 H CYS A 17 5.313 1.339 1.504 1.00 0.00 H new ATOM 0 HA CYS A 17 7.346 2.633 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.172 0.672 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.709 0.954 1.347 1.00 0.00 H new ATOM 222 N LYS A 18 7.900 0.926 -1.875 1.00 0.00 N ATOM 223 CA LYS A 18 8.193 -0.097 -2.928 1.00 0.00 C ATOM 224 C LYS A 18 9.303 -1.050 -2.460 1.00 0.00 C ATOM 225 O LYS A 18 9.318 -2.213 -2.818 1.00 0.00 O ATOM 226 CB LYS A 18 8.656 0.708 -4.147 1.00 0.00 C ATOM 227 CG LYS A 18 8.666 -0.190 -5.388 1.00 0.00 C ATOM 228 CD LYS A 18 9.130 0.619 -6.602 1.00 0.00 C ATOM 229 CE LYS A 18 9.494 -0.332 -7.746 1.00 0.00 C ATOM 230 NZ LYS A 18 10.454 0.431 -8.595 1.00 0.00 N ATOM 0 H LYS A 18 8.233 1.867 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 18 7.323 -0.714 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.992 1.558 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.653 1.111 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.330 -1.040 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.669 -0.593 -5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.341 1.301 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.992 1.230 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.945 -1.249 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.610 -0.622 -8.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.749 -0.157 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.995 1.295 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.289 0.688 -8.030 1.00 0.00 H new ATOM 244 N SER A 19 10.230 -0.566 -1.663 1.00 0.00 N ATOM 245 CA SER A 19 11.341 -1.441 -1.167 1.00 0.00 C ATOM 246 C SER A 19 10.780 -2.625 -0.365 1.00 0.00 C ATOM 247 O SER A 19 11.303 -3.722 -0.423 1.00 0.00 O ATOM 248 CB SER A 19 12.193 -0.541 -0.270 1.00 0.00 C ATOM 249 OG SER A 19 13.464 -1.147 -0.068 1.00 0.00 O ATOM 0 H SER A 19 10.264 0.399 -1.335 1.00 0.00 H new ATOM 0 HA SER A 19 11.921 -1.864 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.314 0.440 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.695 -0.386 0.687 1.00 0.00 H new ATOM 0 HG SER A 19 14.013 -0.572 0.505 1.00 0.00 H new ATOM 255 N SER A 20 9.717 -2.413 0.378 1.00 0.00 N ATOM 256 CA SER A 20 9.121 -3.529 1.178 1.00 0.00 C ATOM 257 C SER A 20 8.000 -4.232 0.390 1.00 0.00 C ATOM 258 O SER A 20 7.219 -4.976 0.954 1.00 0.00 O ATOM 259 CB SER A 20 8.554 -2.855 2.430 1.00 0.00 C ATOM 260 OG SER A 20 8.227 -3.848 3.396 1.00 0.00 O ATOM 0 H SER A 20 9.238 -1.516 0.464 1.00 0.00 H new ATOM 0 HA SER A 20 9.857 -4.296 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.283 -2.157 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.667 -2.275 2.174 1.00 0.00 H new ATOM 0 HG SER A 20 7.784 -4.602 2.953 1.00 0.00 H new ATOM 266 N ASN A 21 7.918 -4.005 -0.907 1.00 0.00 N ATOM 267 CA ASN A 21 6.853 -4.656 -1.739 1.00 0.00 C ATOM 268 C ASN A 21 5.475 -4.460 -1.093 1.00 0.00 C ATOM 269 O ASN A 21 4.792 -5.411 -0.757 1.00 0.00 O ATOM 270 CB ASN A 21 7.234 -6.139 -1.794 1.00 0.00 C ATOM 271 CG ASN A 21 8.268 -6.359 -2.900 1.00 0.00 C ATOM 272 OD1 ASN A 21 9.455 -6.364 -2.645 1.00 0.00 O ATOM 273 ND2 ASN A 21 7.864 -6.540 -4.129 1.00 0.00 N ATOM 0 H ASN A 21 8.549 -3.393 -1.424 1.00 0.00 H new ATOM 0 HA ASN A 21 6.789 -4.224 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.640 -6.457 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.349 -6.746 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.546 -6.685 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.867 -6.536 -4.344 1.00 0.00 H new ATOM 280 N LEU A 22 5.069 -3.229 -0.914 1.00 0.00 N ATOM 281 CA LEU A 22 3.743 -2.957 -0.285 1.00 0.00 C ATOM 282 C LEU A 22 2.787 -2.332 -1.306 1.00 0.00 C ATOM 283 O LEU A 22 3.160 -1.457 -2.066 1.00 0.00 O ATOM 284 CB LEU A 22 4.033 -1.975 0.852 1.00 0.00 C ATOM 285 CG LEU A 22 4.824 -2.680 1.958 1.00 0.00 C ATOM 286 CD1 LEU A 22 5.242 -1.659 3.017 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.949 -3.758 2.607 1.00 0.00 C ATOM 0 H LEU A 22 5.600 -2.399 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 22 3.266 -3.868 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.599 -1.124 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.098 -1.583 1.254 1.00 0.00 H new ATOM 0 HG LEU A 22 5.712 -3.143 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.805 -2.161 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.866 -0.892 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.354 -1.195 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.513 -4.259 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.060 -3.296 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.651 -4.487 1.854 1.00 0.00 H new ATOM 299 N VAL A 23 1.555 -2.776 -1.322 1.00 0.00 N ATOM 300 CA VAL A 23 0.557 -2.214 -2.285 1.00 0.00 C ATOM 301 C VAL A 23 -0.740 -1.866 -1.546 1.00 0.00 C ATOM 302 O VAL A 23 -1.215 -2.625 -0.722 1.00 0.00 O ATOM 303 CB VAL A 23 0.314 -3.316 -3.331 1.00 0.00 C ATOM 304 CG1 VAL A 23 1.548 -3.456 -4.226 1.00 0.00 C ATOM 305 CG2 VAL A 23 0.038 -4.657 -2.638 1.00 0.00 C ATOM 0 H VAL A 23 1.196 -3.506 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 23 0.914 -1.299 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.551 -3.041 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.374 -4.237 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.738 -2.511 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.412 -3.720 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.132 -5.427 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.895 -4.933 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.846 -4.565 -2.007 1.00 0.00 H new ATOM 315 N CYS A 24 -1.311 -0.721 -1.829 1.00 0.00 N ATOM 316 CA CYS A 24 -2.574 -0.324 -1.133 1.00 0.00 C ATOM 317 C CYS A 24 -3.744 -1.190 -1.616 1.00 0.00 C ATOM 318 O CYS A 24 -4.062 -1.224 -2.791 1.00 0.00 O ATOM 319 CB CYS A 24 -2.798 1.144 -1.496 1.00 0.00 C ATOM 320 SG CYS A 24 -3.875 1.906 -0.258 1.00 0.00 S ATOM 0 H CYS A 24 -0.959 -0.047 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.505 -0.462 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.844 1.670 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.249 1.222 -2.485 1.00 0.00 H new ATOM 325 N SER A 25 -4.379 -1.893 -0.710 1.00 0.00 N ATOM 326 CA SER A 25 -5.530 -2.770 -1.094 1.00 0.00 C ATOM 327 C SER A 25 -6.770 -1.926 -1.419 1.00 0.00 C ATOM 328 O SER A 25 -6.842 -0.757 -1.091 1.00 0.00 O ATOM 329 CB SER A 25 -5.786 -3.643 0.138 1.00 0.00 C ATOM 330 OG SER A 25 -6.757 -4.633 -0.178 1.00 0.00 O ATOM 0 H SER A 25 -4.149 -1.897 0.284 1.00 0.00 H new ATOM 0 HA SER A 25 -5.314 -3.362 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.859 -4.117 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.135 -3.028 0.967 1.00 0.00 H new ATOM 0 HG SER A 25 -6.921 -5.194 0.609 1.00 0.00 H new ATOM 336 N ARG A 26 -7.749 -2.519 -2.056 1.00 0.00 N ATOM 337 CA ARG A 26 -8.995 -1.767 -2.398 1.00 0.00 C ATOM 338 C ARG A 26 -10.053 -1.985 -1.310 1.00 0.00 C ATOM 339 O ARG A 26 -10.766 -1.073 -0.938 1.00 0.00 O ATOM 340 CB ARG A 26 -9.467 -2.349 -3.735 1.00 0.00 C ATOM 341 CG ARG A 26 -8.975 -1.463 -4.885 1.00 0.00 C ATOM 342 CD ARG A 26 -10.099 -1.276 -5.908 1.00 0.00 C ATOM 343 NE ARG A 26 -10.949 -0.182 -5.355 1.00 0.00 N ATOM 344 CZ ARG A 26 -11.334 0.800 -6.127 1.00 0.00 C ATOM 345 NH1 ARG A 26 -12.344 0.633 -6.942 1.00 0.00 N ATOM 346 NH2 ARG A 26 -10.708 1.947 -6.084 1.00 0.00 N ATOM 0 H ARG A 26 -7.739 -3.494 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.823 -0.693 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.087 -3.363 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.555 -2.412 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.655 -0.495 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.107 -1.918 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.701 -1.009 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.672 -2.194 -6.036 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.230 -0.200 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.830 -0.263 -6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.645 1.399 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.920 2.075 -5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.007 2.714 -6.686 1.00 0.00 H new ATOM 360 N LYS A 27 -10.151 -3.187 -0.792 1.00 0.00 N ATOM 361 CA LYS A 27 -11.155 -3.469 0.281 1.00 0.00 C ATOM 362 C LYS A 27 -10.617 -3.002 1.641 1.00 0.00 C ATOM 363 O LYS A 27 -11.335 -2.419 2.431 1.00 0.00 O ATOM 364 CB LYS A 27 -11.342 -4.989 0.265 1.00 0.00 C ATOM 365 CG LYS A 27 -12.599 -5.363 1.058 1.00 0.00 C ATOM 366 CD LYS A 27 -12.201 -6.111 2.335 1.00 0.00 C ATOM 367 CE LYS A 27 -12.904 -5.480 3.542 1.00 0.00 C ATOM 368 NZ LYS A 27 -14.247 -6.127 3.598 1.00 0.00 N ATOM 0 H LYS A 27 -9.578 -3.985 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.097 -2.946 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.429 -5.344 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.469 -5.477 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.161 -4.464 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.253 -5.987 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.474 -7.163 2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.120 -6.071 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.344 -5.657 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.992 -4.400 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.784 -5.743 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.761 -5.936 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.133 -7.154 3.717 1.00 0.00 H new ATOM 382 N HIS A 28 -9.359 -3.251 1.914 1.00 0.00 N ATOM 383 CA HIS A 28 -8.768 -2.820 3.220 1.00 0.00 C ATOM 384 C HIS A 28 -8.146 -1.420 3.098 1.00 0.00 C ATOM 385 O HIS A 28 -7.932 -0.748 4.090 1.00 0.00 O ATOM 386 CB HIS A 28 -7.688 -3.859 3.538 1.00 0.00 C ATOM 387 CG HIS A 28 -8.337 -5.170 3.894 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.266 -5.283 4.918 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.204 -6.431 3.369 1.00 0.00 C ATOM 390 CE1 HIS A 28 -9.651 -6.571 4.976 1.00 0.00 C ATOM 391 NE2 HIS A 28 -9.034 -7.314 4.053 1.00 0.00 N ATOM 0 H HIS A 28 -8.715 -3.735 1.288 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.522 -2.762 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.030 -3.989 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.068 -3.512 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.554 -6.698 2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.371 -6.957 5.682 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.147 -8.314 3.886 1.00 0.00 H new ATOM 399 N ARG A 29 -7.854 -0.979 1.890 1.00 0.00 N ATOM 400 CA ARG A 29 -7.244 0.376 1.690 1.00 0.00 C ATOM 401 C ARG A 29 -6.010 0.554 2.587 1.00 0.00 C ATOM 402 O ARG A 29 -5.861 1.555 3.264 1.00 0.00 O ATOM 403 CB ARG A 29 -8.344 1.377 2.062 1.00 0.00 C ATOM 404 CG ARG A 29 -9.432 1.369 0.984 1.00 0.00 C ATOM 405 CD ARG A 29 -10.793 1.087 1.629 1.00 0.00 C ATOM 406 NE ARG A 29 -11.619 2.295 1.343 1.00 0.00 N ATOM 407 CZ ARG A 29 -11.420 3.402 2.013 1.00 0.00 C ATOM 408 NH1 ARG A 29 -11.719 3.460 3.285 1.00 0.00 N ATOM 409 NH2 ARG A 29 -10.922 4.450 1.408 1.00 0.00 N ATOM 0 H ARG A 29 -8.015 -1.506 1.031 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.901 0.520 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.774 1.117 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.922 2.377 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.455 2.329 0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.209 0.610 0.234 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.249 0.190 1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.694 0.923 2.702 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.341 2.259 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.107 2.643 3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.564 4.323 3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.690 4.404 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.766 5.313 1.928 1.00 0.00 H new ATOM 423 N TRP A 30 -5.124 -0.412 2.590 1.00 0.00 N ATOM 424 CA TRP A 30 -3.895 -0.305 3.435 1.00 0.00 C ATOM 425 C TRP A 30 -2.693 -0.941 2.717 1.00 0.00 C ATOM 426 O TRP A 30 -2.845 -1.627 1.723 1.00 0.00 O ATOM 427 CB TRP A 30 -4.245 -1.028 4.752 1.00 0.00 C ATOM 428 CG TRP A 30 -4.084 -2.520 4.638 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.268 -3.257 3.515 1.00 0.00 C ATOM 430 CD2 TRP A 30 -3.727 -3.466 5.687 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.026 -4.587 3.808 1.00 0.00 N ATOM 432 CE2 TRP A 30 -3.694 -4.767 5.133 1.00 0.00 C ATOM 433 CE3 TRP A 30 -3.426 -3.320 7.053 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -3.374 -5.883 5.906 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -3.104 -4.441 7.834 1.00 0.00 C ATOM 436 CH2 TRP A 30 -3.078 -5.720 7.262 1.00 0.00 C ATOM 0 H TRP A 30 -5.199 -1.270 2.043 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.606 0.728 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.605 -0.655 5.551 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -5.272 -0.795 5.031 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.556 -2.869 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.086 -5.343 3.126 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -3.443 -2.339 7.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.355 -6.866 5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.875 -4.317 8.882 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.830 -6.579 7.868 1.00 0.00 H new ATOM 447 N CYS A 31 -1.499 -0.702 3.200 1.00 0.00 N ATOM 448 CA CYS A 31 -0.290 -1.277 2.532 1.00 0.00 C ATOM 449 C CYS A 31 -0.192 -2.783 2.794 1.00 0.00 C ATOM 450 O CYS A 31 0.195 -3.215 3.862 1.00 0.00 O ATOM 451 CB CYS A 31 0.905 -0.543 3.144 1.00 0.00 C ATOM 452 SG CYS A 31 0.921 1.172 2.567 1.00 0.00 S ATOM 0 H CYS A 31 -1.309 -0.135 4.026 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.329 -1.150 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.844 -0.571 4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.833 -1.041 2.864 1.00 0.00 H new ATOM 457 N LYS A 32 -0.533 -3.582 1.816 1.00 0.00 N ATOM 458 CA LYS A 32 -0.454 -5.063 1.989 1.00 0.00 C ATOM 459 C LYS A 32 0.761 -5.614 1.234 1.00 0.00 C ATOM 460 O LYS A 32 1.332 -4.947 0.393 1.00 0.00 O ATOM 461 CB LYS A 32 -1.753 -5.606 1.388 1.00 0.00 C ATOM 462 CG LYS A 32 -2.094 -6.950 2.037 1.00 0.00 C ATOM 463 CD LYS A 32 -1.851 -8.083 1.036 1.00 0.00 C ATOM 464 CE LYS A 32 -1.424 -9.349 1.785 1.00 0.00 C ATOM 465 NZ LYS A 32 -0.752 -10.198 0.761 1.00 0.00 N ATOM 0 H LYS A 32 -0.864 -3.271 0.902 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.340 -5.353 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.565 -4.896 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.644 -5.728 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.483 -7.101 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.135 -6.955 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.758 -8.276 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.079 -7.793 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.747 -9.112 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.284 -9.860 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.229 -10.963 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.467 -10.608 0.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.091 -9.616 0.207 1.00 0.00 H new ATOM 479 N TYR A 33 1.161 -6.825 1.528 1.00 0.00 N ATOM 480 CA TYR A 33 2.343 -7.413 0.824 1.00 0.00 C ATOM 481 C TYR A 33 1.972 -7.799 -0.612 1.00 0.00 C ATOM 482 O TYR A 33 1.007 -8.503 -0.846 1.00 0.00 O ATOM 483 CB TYR A 33 2.726 -8.655 1.635 1.00 0.00 C ATOM 484 CG TYR A 33 4.162 -8.536 2.084 1.00 0.00 C ATOM 485 CD1 TYR A 33 4.482 -7.766 3.208 1.00 0.00 C ATOM 486 CD2 TYR A 33 5.175 -9.193 1.374 1.00 0.00 C ATOM 487 CE1 TYR A 33 5.813 -7.653 3.624 1.00 0.00 C ATOM 488 CE2 TYR A 33 6.506 -9.081 1.789 1.00 0.00 C ATOM 489 CZ TYR A 33 6.826 -8.310 2.914 1.00 0.00 C ATOM 490 OH TYR A 33 8.139 -8.198 3.325 1.00 0.00 O ATOM 0 H TYR A 33 0.723 -7.431 2.222 1.00 0.00 H new ATOM 0 HA TYR A 33 3.169 -6.705 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.070 -8.755 2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.595 -9.552 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.701 -7.259 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.928 -9.786 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.059 -7.060 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.287 -9.589 1.242 1.00 0.00 H new ATOM 0 HH TYR A 33 8.715 -8.716 2.724 1.00 0.00 H new ATOM 500 N GLU A 34 2.735 -7.341 -1.573 1.00 0.00 N ATOM 501 CA GLU A 34 2.437 -7.676 -2.999 1.00 0.00 C ATOM 502 C GLU A 34 2.893 -9.107 -3.307 1.00 0.00 C ATOM 503 O GLU A 34 4.056 -9.439 -3.174 1.00 0.00 O ATOM 504 CB GLU A 34 3.237 -6.664 -3.828 1.00 0.00 C ATOM 505 CG GLU A 34 2.855 -6.789 -5.308 1.00 0.00 C ATOM 506 CD GLU A 34 3.962 -7.530 -6.066 1.00 0.00 C ATOM 507 OE1 GLU A 34 4.911 -6.880 -6.477 1.00 0.00 O ATOM 508 OE2 GLU A 34 3.842 -8.734 -6.224 1.00 0.00 O ATOM 0 H GLU A 34 3.553 -6.748 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 34 1.371 -7.624 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.037 -5.652 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.305 -6.840 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.912 -7.326 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.705 -5.799 -5.740 1.00 0.00 H new ATOM 515 N ILE A 35 1.983 -9.953 -3.718 1.00 0.00 N ATOM 516 CA ILE A 35 2.357 -11.365 -4.040 1.00 0.00 C ATOM 517 C ILE A 35 2.554 -11.525 -5.553 1.00 0.00 C ATOM 518 O ILE A 35 3.692 -11.883 -5.807 1.00 0.00 O ATOM 519 CB ILE A 35 1.178 -12.215 -3.548 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.106 -12.152 -2.017 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.371 -13.671 -3.986 1.00 0.00 C ATOM 522 CD1 ILE A 35 -0.272 -12.623 -1.547 1.00 0.00 C ATOM 0 H ILE A 35 0.996 -9.728 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 35 3.292 -11.665 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 35 0.253 -11.828 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.884 -12.779 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.289 -11.133 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.532 -14.271 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.422 -13.720 -5.074 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.297 -14.059 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.321 -12.577 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.041 -11.978 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.437 -13.649 -1.875 1.00 0.00 H new HETATM 534 N NH2 A 36 1.587 -12.269 -6.035 1.00 0.00 N TER 537 NH2 A 36