USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 575 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 46 LYS NZ :NH3+ 160:sc= -1.21! (180deg=-1.78) USER MOD Set 1.2: A 53 HIS : no HD1:sc=-0.000209 X(o=-0.54,f=-1) USER MOD Set 1.3: A 55 TYR OH : rot 165:sc= 0.668 USER MOD Set 2.1: A 20 SER OG : rot -127:sc= 0.396 USER MOD Set 2.2: A 22 SER OG : rot 180:sc= 0.34 USER MOD Set 3.1: A 10 SER OG : rot -33:sc= 0.838 USER MOD Set 3.2: A 11 SER OG : rot 80:sc= 0.047 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 12 SER OG : rot 13:sc= 0.168 USER MOD Single : A 14 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -82:sc= 0.747 USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= -2.02 (180deg=-2.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 33 THR OG1 : rot 80:sc= 0.809 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00302) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -116:sc= -0.64 (180deg=-2.13!) USER MOD Single : A 52 SER OG : rot 0:sc= 0.657 USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -4.74! (180deg=-7.55!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc=-0.00731 X(o=-0.0073,f=-0.0073) USER MOD Single : A 72 HIS : no HE2:sc= -1 K(o=-1,f=-6.4!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 74 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-0.026) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.045 9.487 11.598 1.00 0.00 N ATOM 2 CA ALA A 1 9.615 8.222 11.056 1.00 0.00 C ATOM 3 C ALA A 1 9.110 8.006 9.630 1.00 0.00 C ATOM 4 O ALA A 1 9.795 8.297 8.672 1.00 0.00 O ATOM 5 CB ALA A 1 9.173 7.047 11.932 1.00 0.00 C ATOM 0 H1 ALA A 1 9.388 9.635 12.569 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.341 10.285 11.001 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.007 9.426 11.604 1.00 0.00 H new ATOM 0 HA ALA A 1 10.703 8.287 11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.590 6.121 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.529 7.199 12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.085 6.984 11.934 1.00 0.00 H new ATOM 13 N GLU A 2 7.912 7.493 9.499 1.00 0.00 N ATOM 14 CA GLU A 2 7.321 7.237 8.152 1.00 0.00 C ATOM 15 C GLU A 2 8.224 6.308 7.343 1.00 0.00 C ATOM 16 O GLU A 2 9.434 6.351 7.443 1.00 0.00 O ATOM 17 CB GLU A 2 7.128 8.556 7.401 1.00 0.00 C ATOM 18 CG GLU A 2 6.033 9.368 8.088 1.00 0.00 C ATOM 19 CD GLU A 2 5.852 10.701 7.361 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.481 10.673 6.200 1.00 0.00 O ATOM 21 OE2 GLU A 2 6.087 11.726 7.979 1.00 0.00 O ATOM 0 H GLU A 2 7.310 7.237 10.282 1.00 0.00 H new ATOM 0 HA GLU A 2 6.351 6.758 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.061 9.120 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.857 8.361 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.096 8.810 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.296 9.544 9.131 1.00 0.00 H new ATOM 28 N LYS A 3 7.636 5.458 6.543 1.00 0.00 N ATOM 29 CA LYS A 3 8.435 4.508 5.714 1.00 0.00 C ATOM 30 C LYS A 3 7.813 4.412 4.324 1.00 0.00 C ATOM 31 O LYS A 3 6.636 4.651 4.150 1.00 0.00 O ATOM 32 CB LYS A 3 8.421 3.132 6.376 1.00 0.00 C ATOM 33 CG LYS A 3 9.207 3.203 7.682 1.00 0.00 C ATOM 34 CD LYS A 3 9.194 1.838 8.366 1.00 0.00 C ATOM 35 CE LYS A 3 9.985 1.924 9.670 1.00 0.00 C ATOM 36 NZ LYS A 3 9.957 0.603 10.356 1.00 0.00 N ATOM 0 H LYS A 3 6.626 5.381 6.427 1.00 0.00 H new ATOM 0 HA LYS A 3 9.463 4.862 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.396 2.818 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.862 2.389 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.234 3.511 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.770 3.954 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.169 1.529 8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.631 1.085 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.015 2.217 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.558 2.691 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.495 0.661 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.972 0.341 10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.384 -0.118 9.739 1.00 0.00 H new ATOM 50 N THR A 4 8.596 4.066 3.332 1.00 0.00 N ATOM 51 CA THR A 4 8.061 3.951 1.937 1.00 0.00 C ATOM 52 C THR A 4 8.141 2.488 1.496 1.00 0.00 C ATOM 53 O THR A 4 9.179 1.863 1.570 1.00 0.00 O ATOM 54 CB THR A 4 8.902 4.838 1.004 1.00 0.00 C ATOM 55 OG1 THR A 4 9.354 5.977 1.727 1.00 0.00 O ATOM 56 CG2 THR A 4 8.061 5.301 -0.187 1.00 0.00 C ATOM 0 H THR A 4 9.590 3.857 3.428 1.00 0.00 H new ATOM 0 HA THR A 4 7.022 4.280 1.898 1.00 0.00 H new ATOM 0 HB THR A 4 9.752 4.263 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.892 6.546 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.668 5.928 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.709 4.432 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.205 5.873 0.172 1.00 0.00 H new ATOM 64 N GLY A 5 7.041 1.940 1.051 1.00 0.00 N ATOM 65 CA GLY A 5 7.017 0.509 0.611 1.00 0.00 C ATOM 66 C GLY A 5 7.142 0.431 -0.910 1.00 0.00 C ATOM 67 O GLY A 5 6.573 1.234 -1.627 1.00 0.00 O ATOM 0 H GLY A 5 6.148 2.426 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.834 -0.039 1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.089 0.036 0.933 1.00 0.00 H new ATOM 71 N ILE A 6 7.881 -0.528 -1.412 1.00 0.00 N ATOM 72 CA ILE A 6 8.036 -0.655 -2.891 1.00 0.00 C ATOM 73 C ILE A 6 6.999 -1.648 -3.414 1.00 0.00 C ATOM 74 O ILE A 6 7.010 -2.810 -3.069 1.00 0.00 O ATOM 75 CB ILE A 6 9.447 -1.158 -3.197 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.466 -0.300 -2.432 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.720 -1.064 -4.700 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.208 1.189 -2.691 1.00 0.00 C ATOM 0 H ILE A 6 8.382 -1.226 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 6 7.884 0.310 -3.375 1.00 0.00 H new ATOM 0 HB ILE A 6 9.536 -2.199 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.398 -0.508 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.478 -0.560 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.727 -1.424 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.996 -1.674 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.631 -0.026 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.937 1.785 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.300 1.394 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.203 1.448 -2.357 1.00 0.00 H new ATOM 90 N VAL A 7 6.094 -1.192 -4.234 1.00 0.00 N ATOM 91 CA VAL A 7 5.045 -2.104 -4.771 1.00 0.00 C ATOM 92 C VAL A 7 5.608 -2.921 -5.932 1.00 0.00 C ATOM 93 O VAL A 7 6.238 -2.390 -6.823 1.00 0.00 O ATOM 94 CB VAL A 7 3.867 -1.266 -5.258 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.835 -2.169 -5.931 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.231 -0.561 -4.060 1.00 0.00 C ATOM 0 H VAL A 7 6.035 -0.226 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 7 4.718 -2.787 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 7 4.215 -0.526 -5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.995 -1.567 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.293 -2.675 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.479 -2.911 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.387 0.041 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.882 -1.305 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.969 0.084 -3.583 1.00 0.00 H new ATOM 106 N ASN A 8 5.384 -4.214 -5.929 1.00 0.00 N ATOM 107 CA ASN A 8 5.898 -5.081 -7.036 1.00 0.00 C ATOM 108 C ASN A 8 4.782 -6.008 -7.512 1.00 0.00 C ATOM 109 O ASN A 8 4.413 -6.953 -6.843 1.00 0.00 O ATOM 110 CB ASN A 8 7.071 -5.914 -6.523 1.00 0.00 C ATOM 111 CG ASN A 8 7.654 -6.739 -7.672 1.00 0.00 C ATOM 112 OD1 ASN A 8 7.530 -6.370 -8.823 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.292 -7.845 -7.405 1.00 0.00 N ATOM 0 H ASN A 8 4.865 -4.708 -5.203 1.00 0.00 H new ATOM 0 HA ASN A 8 6.231 -4.458 -7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.838 -5.262 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.739 -6.573 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.688 -8.401 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.395 -8.154 -6.438 1.00 0.00 H new ATOM 120 N VAL A 9 4.242 -5.741 -8.668 1.00 0.00 N ATOM 121 CA VAL A 9 3.150 -6.597 -9.207 1.00 0.00 C ATOM 122 C VAL A 9 3.198 -6.541 -10.733 1.00 0.00 C ATOM 123 O VAL A 9 2.570 -7.326 -11.415 1.00 0.00 O ATOM 124 CB VAL A 9 1.798 -6.077 -8.707 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.689 -6.290 -7.194 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.680 -4.581 -9.010 1.00 0.00 C ATOM 0 H VAL A 9 4.513 -4.961 -9.267 1.00 0.00 H new ATOM 0 HA VAL A 9 3.277 -7.626 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 9 0.999 -6.620 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.726 -5.919 -6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.772 -7.353 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.491 -5.750 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.718 -4.212 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.483 -4.043 -8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.754 -4.421 -10.086 1.00 0.00 H new ATOM 136 N SER A 10 3.948 -5.611 -11.268 1.00 0.00 N ATOM 137 CA SER A 10 4.061 -5.475 -12.749 1.00 0.00 C ATOM 138 C SER A 10 2.678 -5.605 -13.386 1.00 0.00 C ATOM 139 O SER A 10 2.549 -5.849 -14.567 1.00 0.00 O ATOM 140 CB SER A 10 4.986 -6.564 -13.293 1.00 0.00 C ATOM 141 OG SER A 10 4.268 -7.787 -13.386 1.00 0.00 O ATOM 0 H SER A 10 4.492 -4.933 -10.734 1.00 0.00 H new ATOM 0 HA SER A 10 4.475 -4.496 -12.992 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.367 -6.277 -14.273 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.849 -6.685 -12.638 1.00 0.00 H new ATOM 0 HG SER A 10 3.607 -7.834 -12.664 1.00 0.00 H new ATOM 147 N SER A 11 1.642 -5.446 -12.605 1.00 0.00 N ATOM 148 CA SER A 11 0.258 -5.556 -13.147 1.00 0.00 C ATOM 149 C SER A 11 -0.674 -4.681 -12.306 1.00 0.00 C ATOM 150 O SER A 11 -1.817 -5.019 -12.074 1.00 0.00 O ATOM 151 CB SER A 11 -0.202 -7.012 -13.081 1.00 0.00 C ATOM 152 OG SER A 11 0.740 -7.833 -13.761 1.00 0.00 O ATOM 0 H SER A 11 1.697 -5.243 -11.607 1.00 0.00 H new ATOM 0 HA SER A 11 0.238 -5.223 -14.185 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.296 -7.329 -12.042 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.187 -7.115 -13.536 1.00 0.00 H new ATOM 0 HG SER A 11 1.506 -8.006 -13.175 1.00 0.00 H new ATOM 158 N SER A 12 -0.183 -3.555 -11.855 1.00 0.00 N ATOM 159 CA SER A 12 -1.011 -2.624 -11.028 1.00 0.00 C ATOM 160 C SER A 12 -1.470 -3.316 -9.742 1.00 0.00 C ATOM 161 O SER A 12 -1.737 -4.500 -9.727 1.00 0.00 O ATOM 162 CB SER A 12 -2.237 -2.179 -11.828 1.00 0.00 C ATOM 163 OG SER A 12 -2.847 -1.078 -11.168 1.00 0.00 O ATOM 0 H SER A 12 0.771 -3.236 -12.027 1.00 0.00 H new ATOM 0 HA SER A 12 -0.405 -1.756 -10.767 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.944 -1.896 -12.839 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.946 -3.002 -11.920 1.00 0.00 H new ATOM 0 HG SER A 12 -2.237 -0.727 -10.486 1.00 0.00 H new ATOM 169 N LEU A 13 -1.562 -2.574 -8.660 1.00 0.00 N ATOM 170 CA LEU A 13 -2.006 -3.158 -7.348 1.00 0.00 C ATOM 171 C LEU A 13 -3.324 -2.513 -6.919 1.00 0.00 C ATOM 172 O LEU A 13 -3.486 -1.309 -6.959 1.00 0.00 O ATOM 173 CB LEU A 13 -0.934 -2.889 -6.281 1.00 0.00 C ATOM 174 CG LEU A 13 -1.423 -3.359 -4.900 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.846 -4.836 -4.957 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.286 -3.190 -3.886 1.00 0.00 C ATOM 0 H LEU A 13 -1.346 -1.578 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.149 -4.233 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.012 -3.408 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.703 -1.824 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.284 -2.761 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.190 -5.154 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.653 -4.956 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.995 -5.447 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.623 -3.521 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.570 -3.789 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.004 -2.140 -3.836 1.00 0.00 H new ATOM 188 N ASN A 14 -4.269 -3.313 -6.510 1.00 0.00 N ATOM 189 CA ASN A 14 -5.584 -2.765 -6.080 1.00 0.00 C ATOM 190 C ASN A 14 -5.480 -2.247 -4.643 1.00 0.00 C ATOM 191 O ASN A 14 -4.890 -2.872 -3.787 1.00 0.00 O ATOM 192 CB ASN A 14 -6.637 -3.872 -6.158 1.00 0.00 C ATOM 193 CG ASN A 14 -6.268 -4.999 -5.191 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.354 -4.838 -3.990 1.00 0.00 O ATOM 195 ND2 ASN A 14 -5.854 -6.142 -5.669 1.00 0.00 N ATOM 0 H ASN A 14 -4.186 -4.328 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.872 -1.942 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.620 -3.472 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.699 -4.258 -7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.603 -6.900 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.782 -6.277 -6.677 1.00 0.00 H new ATOM 202 N VAL A 15 -6.055 -1.103 -4.376 1.00 0.00 N ATOM 203 CA VAL A 15 -5.995 -0.531 -2.998 1.00 0.00 C ATOM 204 C VAL A 15 -7.208 -1.016 -2.210 1.00 0.00 C ATOM 205 O VAL A 15 -8.327 -0.959 -2.677 1.00 0.00 O ATOM 206 CB VAL A 15 -6.011 0.995 -3.094 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.150 1.602 -1.697 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.701 1.468 -3.728 1.00 0.00 C ATOM 0 H VAL A 15 -6.565 -0.539 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.084 -0.851 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.855 1.313 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.161 2.689 -1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.080 1.260 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.308 1.289 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.704 2.556 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.862 1.148 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.603 1.038 -4.725 1.00 0.00 H new ATOM 218 N ARG A 16 -6.998 -1.511 -1.018 1.00 0.00 N ATOM 219 CA ARG A 16 -8.139 -2.021 -0.203 1.00 0.00 C ATOM 220 C ARG A 16 -8.618 -0.937 0.760 1.00 0.00 C ATOM 221 O ARG A 16 -7.835 -0.226 1.354 1.00 0.00 O ATOM 222 CB ARG A 16 -7.676 -3.238 0.595 1.00 0.00 C ATOM 223 CG ARG A 16 -7.379 -4.387 -0.369 1.00 0.00 C ATOM 224 CD ARG A 16 -6.981 -5.633 0.423 1.00 0.00 C ATOM 225 NE ARG A 16 -6.591 -6.717 -0.521 1.00 0.00 N ATOM 226 CZ ARG A 16 -7.503 -7.472 -1.071 1.00 0.00 C ATOM 227 NH1 ARG A 16 -8.767 -7.264 -0.814 1.00 0.00 N ATOM 228 NH2 ARG A 16 -7.151 -8.433 -1.881 1.00 0.00 N ATOM 0 H ARG A 16 -6.083 -1.584 -0.573 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.960 -2.298 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.785 -2.992 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.445 -3.535 1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.256 -4.598 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.576 -4.105 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.152 -5.403 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.812 -5.961 1.047 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.606 -6.870 -0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.042 -6.511 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.479 -7.854 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.164 -8.593 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.863 -9.024 -2.311 1.00 0.00 H new ATOM 242 N GLU A 17 -9.906 -0.806 0.913 1.00 0.00 N ATOM 243 CA GLU A 17 -10.457 0.227 1.827 1.00 0.00 C ATOM 244 C GLU A 17 -10.107 -0.123 3.275 1.00 0.00 C ATOM 245 O GLU A 17 -9.730 0.734 4.051 1.00 0.00 O ATOM 246 CB GLU A 17 -11.978 0.254 1.666 1.00 0.00 C ATOM 247 CG GLU A 17 -12.587 1.371 2.515 1.00 0.00 C ATOM 248 CD GLU A 17 -12.201 2.731 1.929 1.00 0.00 C ATOM 249 OE1 GLU A 17 -11.649 2.752 0.841 1.00 0.00 O ATOM 250 OE2 GLU A 17 -12.463 3.729 2.580 1.00 0.00 O ATOM 0 H GLU A 17 -10.605 -1.377 0.438 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.033 1.201 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.236 0.404 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.398 -0.707 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.672 1.270 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.234 1.293 3.543 1.00 0.00 H new ATOM 257 N GLY A 18 -10.250 -1.374 3.647 1.00 0.00 N ATOM 258 CA GLY A 18 -9.953 -1.800 5.053 1.00 0.00 C ATOM 259 C GLY A 18 -8.839 -2.844 5.058 1.00 0.00 C ATOM 260 O GLY A 18 -8.158 -3.051 4.075 1.00 0.00 O ATOM 0 H GLY A 18 -10.563 -2.124 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.656 -0.937 5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.851 -2.212 5.514 1.00 0.00 H new ATOM 264 N ALA A 19 -8.655 -3.505 6.171 1.00 0.00 N ATOM 265 CA ALA A 19 -7.590 -4.544 6.274 1.00 0.00 C ATOM 266 C ALA A 19 -8.222 -5.929 6.129 1.00 0.00 C ATOM 267 O ALA A 19 -8.078 -6.774 6.989 1.00 0.00 O ATOM 268 CB ALA A 19 -6.921 -4.432 7.645 1.00 0.00 C ATOM 0 H ALA A 19 -9.203 -3.367 7.020 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.849 -4.398 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.140 -5.187 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.481 -3.441 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.665 -4.588 8.427 1.00 0.00 H new ATOM 274 N SER A 20 -8.926 -6.169 5.052 1.00 0.00 N ATOM 275 CA SER A 20 -9.571 -7.503 4.857 1.00 0.00 C ATOM 276 C SER A 20 -9.728 -7.787 3.362 1.00 0.00 C ATOM 277 O SER A 20 -9.868 -6.888 2.558 1.00 0.00 O ATOM 278 CB SER A 20 -10.949 -7.509 5.519 1.00 0.00 C ATOM 279 OG SER A 20 -11.607 -8.733 5.220 1.00 0.00 O ATOM 0 H SER A 20 -9.082 -5.499 4.299 1.00 0.00 H new ATOM 0 HA SER A 20 -8.945 -8.272 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.848 -7.391 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.541 -6.667 5.161 1.00 0.00 H new ATOM 0 HG SER A 20 -12.490 -8.545 4.839 1.00 0.00 H new ATOM 285 N THR A 21 -9.712 -9.037 2.988 1.00 0.00 N ATOM 286 CA THR A 21 -9.864 -9.394 1.552 1.00 0.00 C ATOM 287 C THR A 21 -11.281 -9.058 1.092 1.00 0.00 C ATOM 288 O THR A 21 -11.536 -8.867 -0.080 1.00 0.00 O ATOM 289 CB THR A 21 -9.619 -10.893 1.381 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.481 -11.605 2.257 1.00 0.00 O ATOM 291 CG2 THR A 21 -8.165 -11.218 1.722 1.00 0.00 C ATOM 0 H THR A 21 -9.599 -9.830 3.620 1.00 0.00 H new ATOM 0 HA THR A 21 -9.146 -8.832 0.956 1.00 0.00 H new ATOM 0 HB THR A 21 -9.819 -11.182 0.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.331 -12.568 2.152 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.993 -12.287 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.503 -10.665 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.961 -10.934 2.754 1.00 0.00 H new ATOM 299 N SER A 22 -12.206 -8.990 2.009 1.00 0.00 N ATOM 300 CA SER A 22 -13.613 -8.672 1.641 1.00 0.00 C ATOM 301 C SER A 22 -13.780 -7.156 1.532 1.00 0.00 C ATOM 302 O SER A 22 -14.852 -6.662 1.243 1.00 0.00 O ATOM 303 CB SER A 22 -14.543 -9.211 2.727 1.00 0.00 C ATOM 304 OG SER A 22 -14.346 -8.471 3.925 1.00 0.00 O ATOM 0 H SER A 22 -12.046 -9.142 3.005 1.00 0.00 H new ATOM 0 HA SER A 22 -13.858 -9.131 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 22 -15.581 -9.133 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.342 -10.268 2.902 1.00 0.00 H new ATOM 0 HG SER A 22 -14.942 -8.814 4.623 1.00 0.00 H new ATOM 310 N SER A 23 -12.735 -6.412 1.772 1.00 0.00 N ATOM 311 CA SER A 23 -12.837 -4.927 1.697 1.00 0.00 C ATOM 312 C SER A 23 -13.145 -4.485 0.263 1.00 0.00 C ATOM 313 O SER A 23 -12.925 -5.211 -0.684 1.00 0.00 O ATOM 314 CB SER A 23 -11.517 -4.307 2.146 1.00 0.00 C ATOM 315 OG SER A 23 -10.492 -4.674 1.234 1.00 0.00 O ATOM 0 H SER A 23 -11.812 -6.770 2.018 1.00 0.00 H new ATOM 0 HA SER A 23 -13.645 -4.595 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.608 -3.222 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.265 -4.647 3.150 1.00 0.00 H new ATOM 0 HG SER A 23 -10.157 -5.567 1.460 1.00 0.00 H new ATOM 321 N LYS A 24 -13.665 -3.292 0.105 1.00 0.00 N ATOM 322 CA LYS A 24 -14.008 -2.785 -1.259 1.00 0.00 C ATOM 323 C LYS A 24 -12.836 -1.991 -1.844 1.00 0.00 C ATOM 324 O LYS A 24 -12.172 -1.243 -1.158 1.00 0.00 O ATOM 325 CB LYS A 24 -15.239 -1.881 -1.160 1.00 0.00 C ATOM 326 CG LYS A 24 -14.960 -0.714 -0.214 1.00 0.00 C ATOM 327 CD LYS A 24 -16.237 0.116 -0.071 1.00 0.00 C ATOM 328 CE LYS A 24 -16.053 1.165 1.023 1.00 0.00 C ATOM 329 NZ LYS A 24 -14.930 2.073 0.654 1.00 0.00 N ATOM 0 H LYS A 24 -13.867 -2.645 0.867 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.217 -3.631 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.503 -1.503 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.093 -2.455 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.639 -1.085 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.150 -0.097 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.473 0.602 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.078 -0.533 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.971 1.738 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.845 0.680 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.792 2.778 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.059 1.517 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.155 2.558 -0.238 1.00 0.00 H new ATOM 343 N VAL A 25 -12.580 -2.156 -3.117 1.00 0.00 N ATOM 344 CA VAL A 25 -11.452 -1.423 -3.765 1.00 0.00 C ATOM 345 C VAL A 25 -11.927 -0.049 -4.237 1.00 0.00 C ATOM 346 O VAL A 25 -12.925 0.072 -4.918 1.00 0.00 O ATOM 347 CB VAL A 25 -10.960 -2.233 -4.967 1.00 0.00 C ATOM 348 CG1 VAL A 25 -9.690 -1.603 -5.542 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.655 -3.661 -4.514 1.00 0.00 C ATOM 0 H VAL A 25 -13.107 -2.770 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.642 -1.291 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.732 -2.241 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.349 -2.187 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.902 -0.583 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.913 -1.589 -4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.304 -4.245 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.884 -3.642 -3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.560 -4.116 -4.110 1.00 0.00 H new ATOM 359 N ILE A 26 -11.204 0.987 -3.892 1.00 0.00 N ATOM 360 CA ILE A 26 -11.588 2.365 -4.326 1.00 0.00 C ATOM 361 C ILE A 26 -10.695 2.791 -5.492 1.00 0.00 C ATOM 362 O ILE A 26 -10.903 3.820 -6.102 1.00 0.00 O ATOM 363 CB ILE A 26 -11.406 3.331 -3.150 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.964 3.248 -2.634 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.371 2.951 -2.022 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.746 4.310 -1.556 1.00 0.00 C ATOM 0 H ILE A 26 -10.358 0.937 -3.324 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.630 2.379 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.615 4.348 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.769 2.256 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.263 3.399 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.242 3.638 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.397 3.011 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.162 1.934 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.721 4.251 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.924 5.299 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.437 4.138 -0.731 1.00 0.00 H new ATOM 378 N GLY A 27 -9.697 2.006 -5.808 1.00 0.00 N ATOM 379 CA GLY A 27 -8.794 2.369 -6.936 1.00 0.00 C ATOM 380 C GLY A 27 -7.599 1.412 -6.976 1.00 0.00 C ATOM 381 O GLY A 27 -7.623 0.348 -6.390 1.00 0.00 O ATOM 0 H GLY A 27 -9.470 1.132 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.339 2.323 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.445 3.395 -6.819 1.00 0.00 H new ATOM 385 N SER A 28 -6.552 1.784 -7.667 1.00 0.00 N ATOM 386 CA SER A 28 -5.351 0.900 -7.753 1.00 0.00 C ATOM 387 C SER A 28 -4.106 1.755 -7.987 1.00 0.00 C ATOM 388 O SER A 28 -4.203 2.908 -8.355 1.00 0.00 O ATOM 389 CB SER A 28 -5.518 -0.074 -8.918 1.00 0.00 C ATOM 390 OG SER A 28 -5.858 0.653 -10.092 1.00 0.00 O ATOM 0 H SER A 28 -6.477 2.664 -8.177 1.00 0.00 H new ATOM 0 HA SER A 28 -5.244 0.343 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.595 -0.632 -9.076 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.296 -0.803 -8.689 1.00 0.00 H new ATOM 0 HG SER A 28 -5.964 0.032 -10.842 1.00 0.00 H new ATOM 396 N LEU A 29 -2.937 1.199 -7.772 1.00 0.00 N ATOM 397 CA LEU A 29 -1.669 1.972 -7.972 1.00 0.00 C ATOM 398 C LEU A 29 -0.768 1.224 -8.957 1.00 0.00 C ATOM 399 O LEU A 29 -0.789 0.013 -9.038 1.00 0.00 O ATOM 400 CB LEU A 29 -0.955 2.115 -6.628 1.00 0.00 C ATOM 401 CG LEU A 29 -1.874 2.827 -5.627 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.180 2.888 -4.265 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.184 4.254 -6.113 1.00 0.00 C ATOM 0 H LEU A 29 -2.806 0.235 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.896 2.960 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.678 1.132 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.032 2.680 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.810 2.274 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.828 3.393 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.973 1.876 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.244 3.438 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.837 4.749 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.255 4.816 -6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.680 4.208 -7.083 1.00 0.00 H new ATOM 415 N SER A 30 0.010 1.945 -9.718 1.00 0.00 N ATOM 416 CA SER A 30 0.904 1.297 -10.721 1.00 0.00 C ATOM 417 C SER A 30 2.039 0.540 -10.023 1.00 0.00 C ATOM 418 O SER A 30 2.448 0.877 -8.931 1.00 0.00 O ATOM 419 CB SER A 30 1.491 2.373 -11.631 1.00 0.00 C ATOM 420 OG SER A 30 2.423 1.775 -12.518 1.00 0.00 O ATOM 0 H SER A 30 0.065 2.963 -9.688 1.00 0.00 H new ATOM 0 HA SER A 30 0.324 0.585 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.697 2.863 -12.195 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.980 3.143 -11.035 1.00 0.00 H new ATOM 0 HG SER A 30 2.802 2.461 -13.106 1.00 0.00 H new ATOM 426 N GLY A 31 2.541 -0.491 -10.655 1.00 0.00 N ATOM 427 CA GLY A 31 3.641 -1.302 -10.051 1.00 0.00 C ATOM 428 C GLY A 31 4.898 -0.448 -9.848 1.00 0.00 C ATOM 429 O GLY A 31 5.062 0.592 -10.454 1.00 0.00 O ATOM 0 H GLY A 31 2.232 -0.808 -11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.315 -1.710 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.872 -2.149 -10.697 1.00 0.00 H new ATOM 433 N ASN A 32 5.786 -0.893 -8.992 1.00 0.00 N ATOM 434 CA ASN A 32 7.043 -0.136 -8.722 1.00 0.00 C ATOM 435 C ASN A 32 6.699 1.273 -8.247 1.00 0.00 C ATOM 436 O ASN A 32 7.410 2.217 -8.522 1.00 0.00 O ATOM 437 CB ASN A 32 7.888 -0.054 -9.997 1.00 0.00 C ATOM 438 CG ASN A 32 8.077 -1.456 -10.580 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.011 -1.641 -11.779 1.00 0.00 O ATOM 440 ND2 ASN A 32 8.318 -2.454 -9.778 1.00 0.00 N ATOM 0 H ASN A 32 5.689 -1.760 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 32 7.612 -0.653 -7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.400 0.592 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.857 0.392 -9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.451 -3.392 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.373 -2.298 -8.772 1.00 0.00 H new ATOM 447 N THR A 33 5.607 1.420 -7.534 1.00 0.00 N ATOM 448 CA THR A 33 5.197 2.769 -7.032 1.00 0.00 C ATOM 449 C THR A 33 5.486 2.875 -5.532 1.00 0.00 C ATOM 450 O THR A 33 5.231 1.961 -4.771 1.00 0.00 O ATOM 451 CB THR A 33 3.699 2.971 -7.285 1.00 0.00 C ATOM 452 OG1 THR A 33 3.472 3.051 -8.685 1.00 0.00 O ATOM 453 CG2 THR A 33 3.236 4.268 -6.618 1.00 0.00 C ATOM 0 H THR A 33 4.979 0.658 -7.277 1.00 0.00 H new ATOM 0 HA THR A 33 5.762 3.538 -7.558 1.00 0.00 H new ATOM 0 HB THR A 33 3.140 2.133 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.463 2.149 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.171 4.410 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.417 4.210 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.790 5.109 -7.035 1.00 0.00 H new ATOM 461 N LYS A 34 6.016 3.988 -5.109 1.00 0.00 N ATOM 462 CA LYS A 34 6.324 4.183 -3.664 1.00 0.00 C ATOM 463 C LYS A 34 5.036 4.555 -2.924 1.00 0.00 C ATOM 464 O LYS A 34 4.228 5.312 -3.424 1.00 0.00 O ATOM 465 CB LYS A 34 7.346 5.329 -3.534 1.00 0.00 C ATOM 466 CG LYS A 34 8.775 4.779 -3.577 1.00 0.00 C ATOM 467 CD LYS A 34 8.965 3.941 -4.843 1.00 0.00 C ATOM 468 CE LYS A 34 10.457 3.740 -5.106 1.00 0.00 C ATOM 469 NZ LYS A 34 10.631 2.748 -6.203 1.00 0.00 N ATOM 0 H LYS A 34 6.251 4.779 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 34 6.735 3.269 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.202 6.047 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.184 5.865 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.492 5.600 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.968 4.170 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.472 2.975 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.499 4.438 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.921 4.688 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.954 3.391 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.644 2.556 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.142 1.865 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.228 3.129 -7.083 1.00 0.00 H new ATOM 483 N VAL A 35 4.841 4.034 -1.734 1.00 0.00 N ATOM 484 CA VAL A 35 3.605 4.364 -0.950 1.00 0.00 C ATOM 485 C VAL A 35 4.003 4.863 0.439 1.00 0.00 C ATOM 486 O VAL A 35 4.800 4.256 1.126 1.00 0.00 O ATOM 487 CB VAL A 35 2.735 3.113 -0.829 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.320 2.665 -2.231 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.530 1.995 -0.148 1.00 0.00 C ATOM 0 H VAL A 35 5.486 3.393 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 35 3.040 5.144 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 35 1.850 3.334 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.698 1.773 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.756 3.462 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.210 2.441 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.907 1.105 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.414 1.764 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.836 2.320 0.847 1.00 0.00 H new ATOM 499 N THR A 36 3.458 5.974 0.851 1.00 0.00 N ATOM 500 CA THR A 36 3.804 6.528 2.188 1.00 0.00 C ATOM 501 C THR A 36 3.156 5.679 3.278 1.00 0.00 C ATOM 502 O THR A 36 1.961 5.456 3.271 1.00 0.00 O ATOM 503 CB THR A 36 3.278 7.960 2.279 1.00 0.00 C ATOM 504 OG1 THR A 36 3.798 8.716 1.196 1.00 0.00 O ATOM 505 CG2 THR A 36 3.709 8.590 3.604 1.00 0.00 C ATOM 0 H THR A 36 2.785 6.523 0.316 1.00 0.00 H new ATOM 0 HA THR A 36 4.886 6.519 2.323 1.00 0.00 H new ATOM 0 HB THR A 36 2.189 7.952 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.463 9.635 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.331 9.611 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.307 8.006 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.797 8.603 3.664 1.00 0.00 H new ATOM 513 N ILE A 37 3.938 5.209 4.220 1.00 0.00 N ATOM 514 CA ILE A 37 3.386 4.368 5.327 1.00 0.00 C ATOM 515 C ILE A 37 3.367 5.173 6.622 1.00 0.00 C ATOM 516 O ILE A 37 4.370 5.715 7.042 1.00 0.00 O ATOM 517 CB ILE A 37 4.279 3.141 5.511 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.264 2.313 4.225 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.755 2.295 6.674 1.00 0.00 C ATOM 520 CD1 ILE A 37 5.353 1.242 4.291 1.00 0.00 C ATOM 0 H ILE A 37 4.943 5.374 4.269 1.00 0.00 H new ATOM 0 HA ILE A 37 2.371 4.058 5.079 1.00 0.00 H new ATOM 0 HB ILE A 37 5.299 3.458 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.288 1.846 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.427 2.959 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.393 1.421 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.762 2.889 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.736 1.972 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.340 0.653 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.327 1.719 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.170 0.589 5.144 1.00 0.00 H new ATOM 532 N VAL A 38 2.226 5.242 7.265 1.00 0.00 N ATOM 533 CA VAL A 38 2.111 5.997 8.548 1.00 0.00 C ATOM 534 C VAL A 38 1.887 5.001 9.686 1.00 0.00 C ATOM 535 O VAL A 38 1.825 5.369 10.841 1.00 0.00 O ATOM 536 CB VAL A 38 0.924 6.959 8.465 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.204 8.021 7.399 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.336 6.183 8.081 1.00 0.00 C ATOM 0 H VAL A 38 1.361 4.802 6.950 1.00 0.00 H new ATOM 0 HA VAL A 38 3.022 6.567 8.730 1.00 0.00 H new ATOM 0 HB VAL A 38 0.778 7.438 9.433 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.359 8.707 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.104 8.576 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.349 7.537 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.182 6.868 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.188 5.705 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.538 5.422 8.834 1.00 0.00 H new ATOM 548 N GLY A 39 1.770 3.738 9.367 1.00 0.00 N ATOM 549 CA GLY A 39 1.556 2.721 10.435 1.00 0.00 C ATOM 550 C GLY A 39 1.382 1.335 9.806 1.00 0.00 C ATOM 551 O GLY A 39 1.529 1.162 8.613 1.00 0.00 O ATOM 0 H GLY A 39 1.813 3.370 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.404 2.716 11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.674 2.977 11.022 1.00 0.00 H new ATOM 555 N GLU A 40 1.067 0.345 10.604 1.00 0.00 N ATOM 556 CA GLU A 40 0.877 -1.037 10.061 1.00 0.00 C ATOM 557 C GLU A 40 -0.297 -1.708 10.776 1.00 0.00 C ATOM 558 O GLU A 40 -0.631 -1.363 11.891 1.00 0.00 O ATOM 559 CB GLU A 40 2.151 -1.859 10.288 1.00 0.00 C ATOM 560 CG GLU A 40 2.471 -1.935 11.784 1.00 0.00 C ATOM 561 CD GLU A 40 3.760 -2.734 11.982 1.00 0.00 C ATOM 562 OE1 GLU A 40 3.974 -3.669 11.228 1.00 0.00 O ATOM 563 OE2 GLU A 40 4.512 -2.394 12.879 1.00 0.00 O ATOM 0 H GLU A 40 0.933 0.434 11.611 1.00 0.00 H new ATOM 0 HA GLU A 40 0.669 -0.981 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.021 -2.863 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.985 -1.406 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.584 -0.932 12.195 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.649 -2.409 12.320 1.00 0.00 H new ATOM 570 N GLU A 41 -0.927 -2.667 10.148 1.00 0.00 N ATOM 571 CA GLU A 41 -2.077 -3.355 10.803 1.00 0.00 C ATOM 572 C GLU A 41 -2.180 -4.791 10.283 1.00 0.00 C ATOM 573 O GLU A 41 -2.506 -5.026 9.137 1.00 0.00 O ATOM 574 CB GLU A 41 -3.375 -2.596 10.490 1.00 0.00 C ATOM 575 CG GLU A 41 -4.546 -3.211 11.266 1.00 0.00 C ATOM 576 CD GLU A 41 -4.380 -2.927 12.760 1.00 0.00 C ATOM 577 OE1 GLU A 41 -3.502 -2.155 13.104 1.00 0.00 O ATOM 578 OE2 GLU A 41 -5.141 -3.485 13.536 1.00 0.00 O ATOM 0 H GLU A 41 -0.695 -3.002 9.213 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.922 -3.374 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.264 -1.545 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.578 -2.634 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.489 -2.796 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.585 -4.286 11.092 1.00 0.00 H new ATOM 585 N GLY A 42 -1.916 -5.750 11.131 1.00 0.00 N ATOM 586 CA GLY A 42 -2.012 -7.180 10.715 1.00 0.00 C ATOM 587 C GLY A 42 -1.020 -7.487 9.593 1.00 0.00 C ATOM 588 O GLY A 42 0.072 -6.957 9.549 1.00 0.00 O ATOM 0 H GLY A 42 -1.636 -5.603 12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.812 -7.826 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.026 -7.399 10.380 1.00 0.00 H new ATOM 592 N ALA A 43 -1.402 -8.348 8.686 1.00 0.00 N ATOM 593 CA ALA A 43 -0.502 -8.713 7.558 1.00 0.00 C ATOM 594 C ALA A 43 -0.645 -7.681 6.441 1.00 0.00 C ATOM 595 O ALA A 43 -0.399 -7.966 5.286 1.00 0.00 O ATOM 596 CB ALA A 43 -0.898 -10.093 7.029 1.00 0.00 C ATOM 0 H ALA A 43 -2.308 -8.817 8.681 1.00 0.00 H new ATOM 0 HA ALA A 43 0.532 -8.733 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.243 -10.367 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.803 -10.829 7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.930 -10.067 6.681 1.00 0.00 H new ATOM 602 N PHE A 44 -1.053 -6.482 6.781 1.00 0.00 N ATOM 603 CA PHE A 44 -1.230 -5.408 5.753 1.00 0.00 C ATOM 604 C PHE A 44 -0.547 -4.132 6.233 1.00 0.00 C ATOM 605 O PHE A 44 -0.417 -3.895 7.417 1.00 0.00 O ATOM 606 CB PHE A 44 -2.724 -5.130 5.565 1.00 0.00 C ATOM 607 CG PHE A 44 -3.397 -6.351 4.991 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.838 -7.369 5.843 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.586 -6.463 3.608 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.468 -8.501 5.312 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.213 -7.595 3.078 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.655 -8.614 3.930 1.00 0.00 C ATOM 0 H PHE A 44 -1.273 -6.199 7.736 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.790 -5.731 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.178 -4.867 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.865 -4.278 4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.693 -7.282 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.248 -5.675 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.810 -9.287 5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.356 -7.683 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.140 -9.488 3.520 1.00 0.00 H new ATOM 622 N TYR A 45 -0.117 -3.300 5.320 1.00 0.00 N ATOM 623 CA TYR A 45 0.555 -2.023 5.706 1.00 0.00 C ATOM 624 C TYR A 45 -0.432 -0.871 5.524 1.00 0.00 C ATOM 625 O TYR A 45 -1.172 -0.816 4.562 1.00 0.00 O ATOM 626 CB TYR A 45 1.793 -1.800 4.813 1.00 0.00 C ATOM 627 CG TYR A 45 3.014 -2.430 5.453 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.466 -1.958 6.692 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.695 -3.475 4.813 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.594 -2.528 7.292 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.825 -4.045 5.415 1.00 0.00 C ATOM 632 CZ TYR A 45 5.273 -3.571 6.654 1.00 0.00 C ATOM 633 OH TYR A 45 6.384 -4.132 7.248 1.00 0.00 O ATOM 0 H TYR A 45 -0.203 -3.452 4.315 1.00 0.00 H new ATOM 0 HA TYR A 45 0.874 -2.071 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.624 -2.234 3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.959 -0.733 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.943 -1.152 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.349 -3.840 3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.940 -2.163 8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.350 -4.850 4.923 1.00 0.00 H new ATOM 0 HH TYR A 45 6.737 -4.845 6.675 1.00 0.00 H new ATOM 643 N LYS A 46 -0.443 0.052 6.445 1.00 0.00 N ATOM 644 CA LYS A 46 -1.375 1.207 6.340 1.00 0.00 C ATOM 645 C LYS A 46 -0.678 2.338 5.590 1.00 0.00 C ATOM 646 O LYS A 46 0.431 2.713 5.913 1.00 0.00 O ATOM 647 CB LYS A 46 -1.745 1.677 7.749 1.00 0.00 C ATOM 648 CG LYS A 46 -2.707 2.862 7.659 1.00 0.00 C ATOM 649 CD LYS A 46 -3.139 3.273 9.064 1.00 0.00 C ATOM 650 CE LYS A 46 -4.111 4.449 8.969 1.00 0.00 C ATOM 651 NZ LYS A 46 -5.329 4.026 8.223 1.00 0.00 N ATOM 0 H LYS A 46 0.157 0.055 7.270 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.278 0.915 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.208 0.862 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.847 1.966 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.224 3.699 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.579 2.592 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.614 2.433 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.269 3.553 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.383 4.791 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.635 5.289 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.112 4.676 8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.135 4.045 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.592 3.061 8.507 1.00 0.00 H new ATOM 665 N ILE A 47 -1.321 2.886 4.588 1.00 0.00 N ATOM 666 CA ILE A 47 -0.708 4.003 3.801 1.00 0.00 C ATOM 667 C ILE A 47 -1.708 5.147 3.673 1.00 0.00 C ATOM 668 O ILE A 47 -2.906 4.953 3.743 1.00 0.00 O ATOM 669 CB ILE A 47 -0.307 3.496 2.414 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.514 2.854 1.721 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.812 2.465 2.561 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.172 2.574 0.255 1.00 0.00 C ATOM 0 H ILE A 47 -2.252 2.605 4.279 1.00 0.00 H new ATOM 0 HA ILE A 47 0.182 4.365 4.316 1.00 0.00 H new ATOM 0 HB ILE A 47 0.042 4.333 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.786 1.927 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.378 3.516 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.102 2.100 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.672 2.928 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.461 1.631 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.030 2.117 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.921 3.509 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.321 1.895 0.203 1.00 0.00 H new ATOM 684 N GLU A 48 -1.222 6.343 3.493 1.00 0.00 N ATOM 685 CA GLU A 48 -2.137 7.512 3.375 1.00 0.00 C ATOM 686 C GLU A 48 -2.642 7.617 1.934 1.00 0.00 C ATOM 687 O GLU A 48 -1.954 8.103 1.061 1.00 0.00 O ATOM 688 CB GLU A 48 -1.367 8.780 3.758 1.00 0.00 C ATOM 689 CG GLU A 48 -2.320 9.974 3.808 1.00 0.00 C ATOM 690 CD GLU A 48 -3.276 9.818 4.991 1.00 0.00 C ATOM 691 OE1 GLU A 48 -3.058 8.924 5.793 1.00 0.00 O ATOM 692 OE2 GLU A 48 -4.214 10.593 5.074 1.00 0.00 O ATOM 0 H GLU A 48 -0.228 6.562 3.422 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.992 7.391 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.888 8.646 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.574 8.967 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.754 10.900 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.884 10.041 2.878 1.00 0.00 H new ATOM 699 N TYR A 49 -3.839 7.158 1.680 1.00 0.00 N ATOM 700 CA TYR A 49 -4.392 7.223 0.295 1.00 0.00 C ATOM 701 C TYR A 49 -5.004 8.605 0.045 1.00 0.00 C ATOM 702 O TYR A 49 -5.525 9.239 0.939 1.00 0.00 O ATOM 703 CB TYR A 49 -5.460 6.143 0.125 1.00 0.00 C ATOM 704 CG TYR A 49 -6.012 6.210 -1.276 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.263 5.702 -2.344 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.269 6.778 -1.508 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.773 5.763 -3.645 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.778 6.840 -2.809 1.00 0.00 C ATOM 709 CZ TYR A 49 -7.031 6.332 -3.878 1.00 0.00 C ATOM 710 OH TYR A 49 -7.532 6.393 -5.161 1.00 0.00 O ATOM 0 H TYR A 49 -4.459 6.740 2.374 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.591 7.056 -0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.032 5.158 0.314 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.260 6.288 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.293 5.264 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.846 7.168 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.196 5.371 -4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.748 7.280 -2.989 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.416 6.816 -5.147 1.00 0.00 H new ATOM 720 N LYS A 50 -4.930 9.080 -1.168 1.00 0.00 N ATOM 721 CA LYS A 50 -5.485 10.426 -1.490 1.00 0.00 C ATOM 722 C LYS A 50 -6.997 10.465 -1.247 1.00 0.00 C ATOM 723 O LYS A 50 -7.775 9.978 -2.044 1.00 0.00 O ATOM 724 CB LYS A 50 -5.195 10.732 -2.960 1.00 0.00 C ATOM 725 CG LYS A 50 -3.685 10.889 -3.145 1.00 0.00 C ATOM 726 CD LYS A 50 -3.376 11.211 -4.611 1.00 0.00 C ATOM 727 CE LYS A 50 -3.776 10.031 -5.514 1.00 0.00 C ATOM 728 NZ LYS A 50 -5.165 10.245 -6.012 1.00 0.00 N ATOM 0 H LYS A 50 -4.506 8.590 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.018 11.170 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.571 9.929 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.709 11.644 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.311 11.685 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.175 9.972 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.915 12.109 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.313 11.423 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.085 9.948 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.716 9.095 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.785 9.496 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.511 11.171 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.169 10.218 -7.052 1.00 0.00 H new ATOM 742 N GLY A 51 -7.420 11.061 -0.156 1.00 0.00 N ATOM 743 CA GLY A 51 -8.883 11.159 0.144 1.00 0.00 C ATOM 744 C GLY A 51 -9.288 10.114 1.187 1.00 0.00 C ATOM 745 O GLY A 51 -10.385 10.148 1.706 1.00 0.00 O ATOM 0 H GLY A 51 -6.810 11.486 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.119 12.158 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.458 11.011 -0.770 1.00 0.00 H new ATOM 749 N SER A 52 -8.423 9.187 1.507 1.00 0.00 N ATOM 750 CA SER A 52 -8.795 8.159 2.521 1.00 0.00 C ATOM 751 C SER A 52 -7.556 7.370 2.946 1.00 0.00 C ATOM 752 O SER A 52 -6.437 7.759 2.674 1.00 0.00 O ATOM 753 CB SER A 52 -9.826 7.201 1.923 1.00 0.00 C ATOM 754 OG SER A 52 -11.065 7.880 1.763 1.00 0.00 O ATOM 0 H SER A 52 -7.486 9.098 1.115 1.00 0.00 H new ATOM 0 HA SER A 52 -9.219 8.657 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.476 6.828 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.954 6.335 2.573 1.00 0.00 H new ATOM 0 HG SER A 52 -10.973 8.806 2.071 1.00 0.00 H new ATOM 760 N HIS A 53 -7.752 6.258 3.612 1.00 0.00 N ATOM 761 CA HIS A 53 -6.598 5.416 4.065 1.00 0.00 C ATOM 762 C HIS A 53 -6.578 4.118 3.256 1.00 0.00 C ATOM 763 O HIS A 53 -7.489 3.319 3.325 1.00 0.00 O ATOM 764 CB HIS A 53 -6.765 5.096 5.553 1.00 0.00 C ATOM 765 CG HIS A 53 -6.655 6.371 6.340 1.00 0.00 C ATOM 766 ND1 HIS A 53 -5.462 7.070 6.447 1.00 0.00 N ATOM 767 CD2 HIS A 53 -7.578 7.093 7.055 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.696 8.158 7.202 1.00 0.00 C ATOM 769 NE2 HIS A 53 -6.970 8.221 7.599 1.00 0.00 N ATOM 0 H HIS A 53 -8.671 5.894 3.864 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.661 5.952 3.913 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.732 4.625 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.001 4.388 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.617 6.827 7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.945 8.892 7.456 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.404 8.941 8.177 1.00 0.00 H new ATOM 777 N GLY A 54 -5.547 3.906 2.477 1.00 0.00 N ATOM 778 CA GLY A 54 -5.469 2.664 1.647 1.00 0.00 C ATOM 779 C GLY A 54 -4.721 1.570 2.409 1.00 0.00 C ATOM 780 O GLY A 54 -3.876 1.846 3.236 1.00 0.00 O ATOM 0 H GLY A 54 -4.754 4.540 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.473 2.322 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.960 2.877 0.707 1.00 0.00 H new ATOM 784 N TYR A 55 -5.026 0.327 2.126 1.00 0.00 N ATOM 785 CA TYR A 55 -4.341 -0.817 2.810 1.00 0.00 C ATOM 786 C TYR A 55 -3.775 -1.763 1.752 1.00 0.00 C ATOM 787 O TYR A 55 -4.416 -2.040 0.760 1.00 0.00 O ATOM 788 CB TYR A 55 -5.352 -1.561 3.681 1.00 0.00 C ATOM 789 CG TYR A 55 -5.749 -0.677 4.835 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.770 0.267 4.679 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.089 -0.798 6.063 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.132 1.091 5.752 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.448 0.027 7.134 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.470 0.970 6.981 1.00 0.00 C ATOM 795 OH TYR A 55 -6.824 1.782 8.038 1.00 0.00 O ATOM 0 H TYR A 55 -5.730 0.052 1.441 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.530 -0.446 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.230 -1.830 3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.919 -2.491 4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.279 0.360 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.303 -1.528 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.921 1.819 5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.936 -0.064 8.080 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.449 1.421 8.868 1.00 0.00 H new ATOM 805 N VAL A 56 -2.573 -2.253 1.947 1.00 0.00 N ATOM 806 CA VAL A 56 -1.959 -3.180 0.939 1.00 0.00 C ATOM 807 C VAL A 56 -1.302 -4.362 1.656 1.00 0.00 C ATOM 808 O VAL A 56 -0.684 -4.213 2.690 1.00 0.00 O ATOM 809 CB VAL A 56 -0.915 -2.418 0.125 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.626 -1.456 -0.830 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.014 -1.621 1.069 1.00 0.00 C ATOM 0 H VAL A 56 -1.990 -2.052 2.760 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.733 -3.559 0.271 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.310 -3.123 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.885 -0.909 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.272 -2.021 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.227 -0.751 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.731 -1.077 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.618 -0.914 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.488 -2.303 1.755 1.00 0.00 H new ATOM 821 N ALA A 57 -1.448 -5.538 1.111 1.00 0.00 N ATOM 822 CA ALA A 57 -0.855 -6.748 1.746 1.00 0.00 C ATOM 823 C ALA A 57 0.675 -6.699 1.675 1.00 0.00 C ATOM 824 O ALA A 57 1.249 -6.147 0.758 1.00 0.00 O ATOM 825 CB ALA A 57 -1.377 -7.996 1.021 1.00 0.00 C ATOM 0 H ALA A 57 -1.957 -5.714 0.245 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.144 -6.783 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.949 -8.888 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.464 -8.034 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.090 -7.953 -0.030 1.00 0.00 H new ATOM 831 N LYS A 58 1.335 -7.283 2.640 1.00 0.00 N ATOM 832 CA LYS A 58 2.825 -7.291 2.652 1.00 0.00 C ATOM 833 C LYS A 58 3.348 -8.036 1.424 1.00 0.00 C ATOM 834 O LYS A 58 4.388 -7.717 0.884 1.00 0.00 O ATOM 835 CB LYS A 58 3.318 -8.001 3.915 1.00 0.00 C ATOM 836 CG LYS A 58 2.976 -7.157 5.144 1.00 0.00 C ATOM 837 CD LYS A 58 3.509 -7.849 6.399 1.00 0.00 C ATOM 838 CE LYS A 58 3.292 -6.946 7.615 1.00 0.00 C ATOM 839 NZ LYS A 58 1.833 -6.727 7.821 1.00 0.00 N ATOM 0 H LYS A 58 0.899 -7.760 3.429 1.00 0.00 H new ATOM 0 HA LYS A 58 3.189 -6.264 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.855 -8.984 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.395 -8.160 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.414 -6.163 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.897 -7.024 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.000 -8.802 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.570 -8.070 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.730 -7.403 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.796 -5.991 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.614 -5.717 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.297 -7.279 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.568 -7.032 8.779 1.00 0.00 H new ATOM 853 N GLU A 59 2.639 -9.042 0.991 1.00 0.00 N ATOM 854 CA GLU A 59 3.089 -9.836 -0.185 1.00 0.00 C ATOM 855 C GLU A 59 3.322 -8.915 -1.382 1.00 0.00 C ATOM 856 O GLU A 59 4.161 -9.181 -2.218 1.00 0.00 O ATOM 857 CB GLU A 59 2.014 -10.870 -0.549 1.00 0.00 C ATOM 858 CG GLU A 59 1.866 -11.903 0.583 1.00 0.00 C ATOM 859 CD GLU A 59 0.947 -11.359 1.683 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.538 -10.215 1.581 1.00 0.00 O ATOM 861 OE2 GLU A 59 0.660 -12.104 2.607 1.00 0.00 O ATOM 0 H GLU A 59 1.760 -9.350 1.406 1.00 0.00 H new ATOM 0 HA GLU A 59 4.020 -10.343 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.061 -10.370 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.283 -11.373 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.458 -12.832 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.845 -12.138 1.001 1.00 0.00 H new ATOM 868 N TYR A 60 2.589 -7.838 -1.484 1.00 0.00 N ATOM 869 CA TYR A 60 2.778 -6.916 -2.641 1.00 0.00 C ATOM 870 C TYR A 60 3.772 -5.822 -2.259 1.00 0.00 C ATOM 871 O TYR A 60 4.134 -4.997 -3.073 1.00 0.00 O ATOM 872 CB TYR A 60 1.435 -6.273 -2.994 1.00 0.00 C ATOM 873 CG TYR A 60 0.399 -7.355 -3.204 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.576 -8.313 -4.212 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.737 -7.409 -2.383 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.379 -9.319 -4.399 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.691 -8.416 -2.571 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.511 -9.370 -3.579 1.00 0.00 C ATOM 879 OH TYR A 60 -2.450 -10.365 -3.763 1.00 0.00 O ATOM 0 H TYR A 60 1.869 -7.558 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 60 3.158 -7.474 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.119 -5.602 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.534 -5.669 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.450 -8.275 -4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.876 -6.673 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.242 -10.056 -5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.565 -8.457 -1.939 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.173 -10.257 -3.110 1.00 0.00 H new ATOM 889 N ILE A 61 4.216 -5.809 -1.025 1.00 0.00 N ATOM 890 CA ILE A 61 5.191 -4.766 -0.571 1.00 0.00 C ATOM 891 C ILE A 61 6.521 -5.429 -0.221 1.00 0.00 C ATOM 892 O ILE A 61 6.573 -6.387 0.525 1.00 0.00 O ATOM 893 CB ILE A 61 4.635 -4.061 0.669 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.251 -3.469 0.352 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.594 -2.950 1.102 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.317 -2.555 -0.881 1.00 0.00 C ATOM 0 H ILE A 61 3.943 -6.481 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 61 5.346 -4.040 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 61 4.535 -4.781 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.538 -4.274 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.887 -2.904 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.196 -2.450 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.567 -3.381 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.702 -2.227 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.327 -2.148 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.013 -1.738 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.658 -3.130 -1.742 1.00 0.00 H new ATOM 908 N LYS A 62 7.602 -4.923 -0.758 1.00 0.00 N ATOM 909 CA LYS A 62 8.942 -5.511 -0.464 1.00 0.00 C ATOM 910 C LYS A 62 9.974 -4.390 -0.322 1.00 0.00 C ATOM 911 O LYS A 62 9.635 -3.218 -0.337 1.00 0.00 O ATOM 912 CB LYS A 62 9.352 -6.449 -1.602 1.00 0.00 C ATOM 913 CG LYS A 62 9.494 -5.657 -2.908 1.00 0.00 C ATOM 914 CD LYS A 62 9.772 -6.616 -4.072 1.00 0.00 C ATOM 915 CE LYS A 62 11.176 -7.219 -3.944 1.00 0.00 C ATOM 916 NZ LYS A 62 11.565 -7.835 -5.245 1.00 0.00 N ATOM 0 H LYS A 62 7.613 -4.123 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 62 8.893 -6.075 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.295 -6.938 -1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.607 -7.235 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.583 -5.091 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.305 -4.934 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.027 -7.412 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.683 -6.084 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.893 -6.447 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.192 -7.969 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.517 -8.246 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.885 -8.582 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.564 -7.107 -5.988 1.00 0.00 H new ATOM 930 N ASP A 63 11.226 -4.758 -0.179 1.00 0.00 N ATOM 931 CA ASP A 63 12.316 -3.750 -0.022 1.00 0.00 C ATOM 932 C ASP A 63 12.017 -2.849 1.174 1.00 0.00 C ATOM 933 O ASP A 63 12.618 -2.983 2.219 1.00 0.00 O ATOM 934 CB ASP A 63 12.437 -2.899 -1.289 1.00 0.00 C ATOM 935 CG ASP A 63 13.070 -3.727 -2.408 1.00 0.00 C ATOM 936 OD1 ASP A 63 13.509 -4.831 -2.130 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.105 -3.242 -3.528 1.00 0.00 O ATOM 0 H ASP A 63 11.540 -5.728 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 63 13.258 -4.273 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.453 -2.546 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.044 -2.016 -1.089 1.00 0.00 H new ATOM 942 N ILE A 64 11.097 -1.936 1.021 1.00 0.00 N ATOM 943 CA ILE A 64 10.740 -1.009 2.132 1.00 0.00 C ATOM 944 C ILE A 64 11.976 -0.239 2.587 1.00 0.00 C ATOM 945 O ILE A 64 13.089 -0.713 2.486 1.00 0.00 O ATOM 946 CB ILE A 64 10.155 -1.793 3.308 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.860 -2.475 2.863 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.853 -0.828 4.456 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.386 -3.445 3.948 1.00 0.00 C ATOM 0 H ILE A 64 10.570 -1.791 0.160 1.00 0.00 H new ATOM 0 HA ILE A 64 9.992 -0.303 1.772 1.00 0.00 H new ATOM 0 HB ILE A 64 10.869 -2.546 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.091 -1.726 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.023 -3.012 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.436 -1.382 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.773 -0.334 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.134 -0.079 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.463 -3.928 3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.151 -4.202 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.205 -2.897 4.872 1.00 0.00 H new ATOM 961 N LYS A 65 11.782 0.958 3.080 1.00 0.00 N ATOM 962 CA LYS A 65 12.932 1.794 3.546 1.00 0.00 C ATOM 963 C LYS A 65 12.791 2.065 5.041 1.00 0.00 C ATOM 964 O LYS A 65 11.941 2.818 5.470 1.00 0.00 O ATOM 965 CB LYS A 65 12.921 3.119 2.785 1.00 0.00 C ATOM 966 CG LYS A 65 13.233 2.853 1.313 1.00 0.00 C ATOM 967 CD LYS A 65 13.214 4.171 0.538 1.00 0.00 C ATOM 968 CE LYS A 65 13.519 3.897 -0.936 1.00 0.00 C ATOM 969 NZ LYS A 65 13.481 5.177 -1.696 1.00 0.00 N ATOM 0 H LYS A 65 10.867 1.397 3.181 1.00 0.00 H new ATOM 0 HA LYS A 65 13.870 1.269 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.948 3.600 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.658 3.802 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.209 2.378 1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.500 2.163 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.240 4.650 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.951 4.860 0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.500 3.432 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.791 3.197 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.688 4.992 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.536 5.603 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.192 5.831 -1.311 1.00 0.00 H new ATOM 983 N ASP A 66 13.625 1.457 5.840 1.00 0.00 N ATOM 984 CA ASP A 66 13.550 1.674 7.311 1.00 0.00 C ATOM 985 C ASP A 66 14.420 2.871 7.690 1.00 0.00 C ATOM 986 O ASP A 66 15.629 2.837 7.572 1.00 0.00 O ATOM 987 CB ASP A 66 14.057 0.422 8.031 1.00 0.00 C ATOM 988 CG ASP A 66 13.017 -0.695 7.912 1.00 0.00 C ATOM 989 OD1 ASP A 66 11.895 -0.397 7.535 1.00 0.00 O ATOM 990 OD2 ASP A 66 13.361 -1.828 8.201 1.00 0.00 O ATOM 0 H ASP A 66 14.358 0.817 5.535 1.00 0.00 H new ATOM 0 HA ASP A 66 12.518 1.869 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.004 0.099 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.247 0.646 9.081 1.00 0.00 H new ATOM 995 N GLU A 67 13.814 3.933 8.149 1.00 0.00 N ATOM 996 CA GLU A 67 14.599 5.136 8.541 1.00 0.00 C ATOM 997 C GLU A 67 15.032 5.001 10.000 1.00 0.00 C ATOM 998 O GLU A 67 15.721 5.847 10.533 1.00 0.00 O ATOM 999 CB GLU A 67 13.732 6.384 8.364 1.00 0.00 C ATOM 1000 CG GLU A 67 13.488 6.623 6.872 1.00 0.00 C ATOM 1001 CD GLU A 67 12.550 7.817 6.693 1.00 0.00 C ATOM 1002 OE1 GLU A 67 12.122 8.366 7.694 1.00 0.00 O ATOM 1003 OE2 GLU A 67 12.276 8.163 5.555 1.00 0.00 O ATOM 0 H GLU A 67 12.805 4.018 8.269 1.00 0.00 H new ATOM 0 HA GLU A 67 15.485 5.224 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.782 6.258 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.225 7.249 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.434 6.811 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.052 5.733 6.417 1.00 0.00 H new ATOM 1010 N VAL A 68 14.633 3.937 10.652 1.00 0.00 N ATOM 1011 CA VAL A 68 15.020 3.736 12.080 1.00 0.00 C ATOM 1012 C VAL A 68 14.972 2.240 12.414 1.00 0.00 C ATOM 1013 O VAL A 68 13.929 1.620 12.388 1.00 0.00 O ATOM 1014 CB VAL A 68 14.062 4.510 12.998 1.00 0.00 C ATOM 1015 CG1 VAL A 68 12.602 4.167 12.664 1.00 0.00 C ATOM 1016 CG2 VAL A 68 14.349 4.142 14.458 1.00 0.00 C ATOM 0 H VAL A 68 14.054 3.197 10.254 1.00 0.00 H new ATOM 0 HA VAL A 68 16.032 4.109 12.236 1.00 0.00 H new ATOM 0 HB VAL A 68 14.216 5.578 12.846 1.00 0.00 H new ATOM 0 HG11 VAL A 68 11.937 4.724 13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.393 4.435 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.438 3.098 12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.670 4.690 15.112 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.203 3.071 14.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.379 4.403 14.703 1.00 0.00 H new ATOM 1026 N LEU A 69 16.103 1.656 12.716 1.00 0.00 N ATOM 1027 CA LEU A 69 16.132 0.199 13.040 1.00 0.00 C ATOM 1028 C LEU A 69 15.695 -0.028 14.490 1.00 0.00 C ATOM 1029 O LEU A 69 16.016 0.736 15.378 1.00 0.00 O ATOM 1030 CB LEU A 69 17.552 -0.331 12.834 1.00 0.00 C ATOM 1031 CG LEU A 69 17.987 -0.090 11.381 1.00 0.00 C ATOM 1032 CD1 LEU A 69 19.428 -0.575 11.203 1.00 0.00 C ATOM 1033 CD2 LEU A 69 17.060 -0.848 10.413 1.00 0.00 C ATOM 0 H LEU A 69 17.008 2.126 12.752 1.00 0.00 H new ATOM 0 HA LEU A 69 15.444 -0.332 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.240 0.167 13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.590 -1.396 13.064 1.00 0.00 H new ATOM 0 HG LEU A 69 17.925 0.975 11.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.744 -0.407 10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.083 -0.024 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.484 -1.639 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.380 -0.668 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.107 -1.916 10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.036 -0.497 10.540 1.00 0.00 H new ATOM 1045 N GLU A 70 14.949 -1.075 14.729 1.00 0.00 N ATOM 1046 CA GLU A 70 14.466 -1.363 16.111 1.00 0.00 C ATOM 1047 C GLU A 70 15.530 -2.124 16.908 1.00 0.00 C ATOM 1048 O GLU A 70 16.445 -2.693 16.353 1.00 0.00 O ATOM 1049 CB GLU A 70 13.196 -2.209 16.026 1.00 0.00 C ATOM 1050 CG GLU A 70 12.072 -1.364 15.431 1.00 0.00 C ATOM 1051 CD GLU A 70 10.818 -2.223 15.281 1.00 0.00 C ATOM 1052 OE1 GLU A 70 10.854 -3.366 15.704 1.00 0.00 O ATOM 1053 OE2 GLU A 70 9.843 -1.723 14.743 1.00 0.00 O ATOM 0 H GLU A 70 14.652 -1.747 14.021 1.00 0.00 H new ATOM 0 HA GLU A 70 14.260 -0.421 16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.372 -3.090 15.408 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.914 -2.565 17.017 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.866 -0.508 16.074 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.374 -0.968 14.461 1.00 0.00 H new ATOM 1060 N HIS A 71 15.401 -2.132 18.212 1.00 0.00 N ATOM 1061 CA HIS A 71 16.380 -2.849 19.084 1.00 0.00 C ATOM 1062 C HIS A 71 17.745 -2.169 19.001 1.00 0.00 C ATOM 1063 O HIS A 71 18.648 -2.481 19.750 1.00 0.00 O ATOM 1064 CB HIS A 71 16.501 -4.316 18.647 1.00 0.00 C ATOM 1065 CG HIS A 71 17.108 -5.124 19.763 1.00 0.00 C ATOM 1066 ND1 HIS A 71 16.367 -5.554 20.853 1.00 0.00 N ATOM 1067 CD2 HIS A 71 18.385 -5.578 19.975 1.00 0.00 C ATOM 1068 CE1 HIS A 71 17.197 -6.232 21.665 1.00 0.00 C ATOM 1069 NE2 HIS A 71 18.440 -6.278 21.178 1.00 0.00 N ATOM 0 H HIS A 71 14.647 -1.665 18.716 1.00 0.00 H new ATOM 0 HA HIS A 71 16.026 -2.815 20.114 1.00 0.00 H new ATOM 0 HB2 HIS A 71 15.519 -4.712 18.390 1.00 0.00 H new ATOM 0 HB3 HIS A 71 17.119 -4.390 17.752 1.00 0.00 H new ATOM 0 HD2 HIS A 71 19.221 -5.417 19.310 1.00 0.00 H new ATOM 0 HE1 HIS A 71 16.895 -6.685 22.598 1.00 0.00 H new ATOM 0 HE2 HIS A 71 19.254 -6.728 21.597 1.00 0.00 H new ATOM 1077 N HIS A 72 17.902 -1.233 18.105 1.00 0.00 N ATOM 1078 CA HIS A 72 19.207 -0.525 17.982 1.00 0.00 C ATOM 1079 C HIS A 72 19.204 0.692 18.909 1.00 0.00 C ATOM 1080 O HIS A 72 20.206 1.355 19.081 1.00 0.00 O ATOM 1081 CB HIS A 72 19.400 -0.070 16.535 1.00 0.00 C ATOM 1082 CG HIS A 72 19.677 -1.270 15.670 1.00 0.00 C ATOM 1083 ND1 HIS A 72 18.661 -2.025 15.105 1.00 0.00 N ATOM 1084 CD2 HIS A 72 20.851 -1.860 15.269 1.00 0.00 C ATOM 1085 CE1 HIS A 72 19.237 -3.019 14.404 1.00 0.00 C ATOM 1086 NE2 HIS A 72 20.570 -2.964 14.470 1.00 0.00 N ATOM 0 H HIS A 72 17.181 -0.928 17.452 1.00 0.00 H new ATOM 0 HA HIS A 72 20.021 -1.194 18.261 1.00 0.00 H new ATOM 0 HB2 HIS A 72 18.508 0.449 16.183 1.00 0.00 H new ATOM 0 HB3 HIS A 72 20.227 0.638 16.471 1.00 0.00 H new ATOM 0 HD1 HIS A 72 17.660 -1.858 15.203 1.00 0.00 H new ATOM 0 HD2 HIS A 72 21.841 -1.519 15.534 1.00 0.00 H new ATOM 0 HE1 HIS A 72 18.688 -3.770 13.855 1.00 0.00 H new ATOM 1094 N HIS A 73 18.078 0.993 19.500 1.00 0.00 N ATOM 1095 CA HIS A 73 17.999 2.172 20.409 1.00 0.00 C ATOM 1096 C HIS A 73 18.757 1.885 21.707 1.00 0.00 C ATOM 1097 O HIS A 73 18.731 0.786 22.220 1.00 0.00 O ATOM 1098 CB HIS A 73 16.531 2.454 20.737 1.00 0.00 C ATOM 1099 CG HIS A 73 15.823 2.911 19.494 1.00 0.00 C ATOM 1100 ND1 HIS A 73 15.112 2.039 18.686 1.00 0.00 N ATOM 1101 CD2 HIS A 73 15.709 4.145 18.906 1.00 0.00 C ATOM 1102 CE1 HIS A 73 14.607 2.754 17.664 1.00 0.00 C ATOM 1103 NE2 HIS A 73 14.941 4.044 17.750 1.00 0.00 N ATOM 0 H HIS A 73 17.208 0.471 19.392 1.00 0.00 H new ATOM 0 HA HIS A 73 18.446 3.036 19.917 1.00 0.00 H new ATOM 0 HB2 HIS A 73 16.055 1.556 21.131 1.00 0.00 H new ATOM 0 HB3 HIS A 73 16.460 3.218 21.511 1.00 0.00 H new ATOM 0 HD2 HIS A 73 16.149 5.057 19.283 1.00 0.00 H new ATOM 0 HE1 HIS A 73 14.005 2.336 16.871 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.688 4.794 17.107 1.00 0.00 H new ATOM 1111 N HIS A 74 19.428 2.876 22.246 1.00 0.00 N ATOM 1112 CA HIS A 74 20.190 2.681 23.523 1.00 0.00 C ATOM 1113 C HIS A 74 19.876 3.841 24.480 1.00 0.00 C ATOM 1114 O HIS A 74 20.546 4.854 24.485 1.00 0.00 O ATOM 1115 CB HIS A 74 21.694 2.637 23.220 1.00 0.00 C ATOM 1116 CG HIS A 74 22.042 3.657 22.169 1.00 0.00 C ATOM 1117 ND1 HIS A 74 23.191 3.558 21.399 1.00 0.00 N ATOM 1118 CD2 HIS A 74 21.408 4.800 21.750 1.00 0.00 C ATOM 1119 CE1 HIS A 74 23.212 4.614 20.565 1.00 0.00 C ATOM 1120 NE2 HIS A 74 22.148 5.403 20.737 1.00 0.00 N ATOM 0 H HIS A 74 19.481 3.816 21.855 1.00 0.00 H new ATOM 0 HA HIS A 74 19.896 1.741 23.990 1.00 0.00 H new ATOM 0 HB2 HIS A 74 22.262 2.833 24.130 1.00 0.00 H new ATOM 0 HB3 HIS A 74 21.975 1.641 22.878 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.476 5.175 22.146 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.994 4.801 19.844 1.00 0.00 H new ATOM 0 HE2 HIS A 74 21.926 6.262 20.234 1.00 0.00 H new ATOM 1128 N HIS A 75 18.853 3.685 25.288 1.00 0.00 N ATOM 1129 CA HIS A 75 18.457 4.751 26.263 1.00 0.00 C ATOM 1130 C HIS A 75 18.585 6.135 25.619 1.00 0.00 C ATOM 1131 O HIS A 75 19.594 6.800 25.744 1.00 0.00 O ATOM 1132 CB HIS A 75 19.346 4.666 27.508 1.00 0.00 C ATOM 1133 CG HIS A 75 18.940 5.723 28.500 1.00 0.00 C ATOM 1134 ND1 HIS A 75 17.763 5.643 29.230 1.00 0.00 N ATOM 1135 CD2 HIS A 75 19.552 6.885 28.904 1.00 0.00 C ATOM 1136 CE1 HIS A 75 17.705 6.727 30.028 1.00 0.00 C ATOM 1137 NE2 HIS A 75 18.771 7.516 29.867 1.00 0.00 N ATOM 0 H HIS A 75 18.267 2.850 25.313 1.00 0.00 H new ATOM 0 HA HIS A 75 17.417 4.598 26.553 1.00 0.00 H new ATOM 0 HB2 HIS A 75 19.260 3.678 27.960 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.391 4.799 27.229 1.00 0.00 H new ATOM 0 HD2 HIS A 75 20.496 7.253 28.531 1.00 0.00 H new ATOM 0 HE1 HIS A 75 16.896 6.933 30.714 1.00 0.00 H new ATOM 0 HE2 HIS A 75 18.970 8.394 30.347 1.00 0.00 H new ATOM 1145 N HIS A 76 17.557 6.570 24.936 1.00 0.00 N ATOM 1146 CA HIS A 76 17.589 7.909 24.278 1.00 0.00 C ATOM 1147 C HIS A 76 17.821 8.994 25.331 1.00 0.00 C ATOM 1148 O HIS A 76 16.856 9.395 25.962 1.00 0.00 O ATOM 1149 CB HIS A 76 16.246 8.152 23.588 1.00 0.00 C ATOM 1150 CG HIS A 76 16.319 9.404 22.762 1.00 0.00 C ATOM 1151 ND1 HIS A 76 16.043 10.656 23.290 1.00 0.00 N ATOM 1152 CD2 HIS A 76 16.634 9.615 21.442 1.00 0.00 C ATOM 1153 CE1 HIS A 76 16.196 11.556 22.302 1.00 0.00 C ATOM 1154 NE2 HIS A 76 16.556 10.975 21.154 1.00 0.00 N ATOM 1155 OXT HIS A 76 18.957 9.410 25.486 1.00 0.00 O ATOM 0 H HIS A 76 16.690 6.049 24.806 1.00 0.00 H new ATOM 0 HA HIS A 76 18.396 7.940 23.546 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.993 7.302 22.955 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.455 8.242 24.333 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.901 8.844 20.735 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.046 12.619 22.422 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.735 11.430 20.259 1.00 0.00 H new TER 1163 HIS A 76