USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 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 1 MET N :NH3+ -142:sc= -0.37 (180deg=-1.71) USER MOD Set 1.2: A 22 THR OG1 : rot -140:sc= 0.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.02 K(o=-1,f=-0.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 35 HIS : no HD1:sc=-0.00151 X(o=-0.0015,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.149 1.434 -4.858 1.00 0.00 N ATOM 2 CA MET A 1 -7.402 0.253 -3.989 1.00 0.00 C ATOM 3 C MET A 1 -6.159 -0.123 -3.184 1.00 0.00 C ATOM 4 O MET A 1 -5.033 0.205 -3.568 1.00 0.00 O ATOM 5 CB MET A 1 -7.835 -0.925 -4.869 1.00 0.00 C ATOM 6 CG MET A 1 -8.968 -1.748 -4.277 1.00 0.00 C ATOM 7 SD MET A 1 -10.539 -0.862 -4.242 1.00 0.00 S ATOM 8 CE MET A 1 -11.645 -2.157 -3.684 1.00 0.00 C ATOM 0 H1 MET A 1 -7.994 2.040 -4.875 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.343 1.975 -4.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.932 1.114 -5.824 1.00 0.00 H new ATOM 0 HA MET A 1 -8.191 0.501 -3.279 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.145 -0.545 -5.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.976 -1.575 -5.039 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.086 -2.663 -4.857 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.702 -2.045 -3.263 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.659 -1.763 -3.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.626 -2.983 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.324 -2.513 -2.705 1.00 0.00 H new ATOM 20 N ASN A 2 -6.373 -0.812 -2.064 1.00 0.00 N ATOM 21 CA ASN A 2 -5.277 -1.237 -1.198 1.00 0.00 C ATOM 22 C ASN A 2 -4.754 -2.608 -1.618 1.00 0.00 C ATOM 23 O ASN A 2 -5.527 -3.488 -2.002 1.00 0.00 O ATOM 24 CB ASN A 2 -5.730 -1.288 0.266 1.00 0.00 C ATOM 25 CG ASN A 2 -6.482 -0.041 0.696 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.684 -0.085 0.950 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.777 1.082 0.778 1.00 0.00 N ATOM 0 H ASN A 2 -7.298 -1.088 -1.735 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.474 -0.506 -1.297 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.368 -2.160 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.858 -1.419 0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.232 1.950 1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.781 1.076 0.559 1.00 0.00 H new ATOM 34 N VAL A 3 -3.437 -2.781 -1.531 1.00 0.00 N ATOM 35 CA VAL A 3 -2.803 -4.047 -1.890 1.00 0.00 C ATOM 36 C VAL A 3 -2.445 -4.837 -0.636 1.00 0.00 C ATOM 37 O VAL A 3 -1.997 -4.264 0.361 1.00 0.00 O ATOM 38 CB VAL A 3 -1.530 -3.840 -2.743 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.878 -3.220 -4.088 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.505 -2.987 -2.003 1.00 0.00 C ATOM 0 H VAL A 3 -2.788 -2.060 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.524 -4.605 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.084 -4.818 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.968 -3.083 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.559 -3.879 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.357 -2.254 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.380 -2.858 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.937 -2.011 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.224 -3.481 -1.073 1.00 0.00 H new ATOM 50 N THR A 4 -2.649 -6.153 -0.683 1.00 0.00 N ATOM 51 CA THR A 4 -2.352 -7.006 0.462 1.00 0.00 C ATOM 52 C THR A 4 -0.847 -7.198 0.608 1.00 0.00 C ATOM 53 O THR A 4 -0.196 -7.811 -0.242 1.00 0.00 O ATOM 54 CB THR A 4 -3.049 -8.361 0.313 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.414 -8.189 -0.029 1.00 0.00 O ATOM 56 CG2 THR A 4 -2.997 -9.203 1.568 1.00 0.00 C ATOM 0 H THR A 4 -3.016 -6.647 -1.496 1.00 0.00 H new ATOM 0 HA THR A 4 -2.728 -6.519 1.362 1.00 0.00 H new ATOM 0 HB THR A 4 -2.504 -8.878 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.841 -9.066 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.509 -10.149 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.958 -9.397 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.487 -8.671 2.384 1.00 0.00 H new ATOM 64 N VAL A 5 -0.306 -6.652 1.693 1.00 0.00 N ATOM 65 CA VAL A 5 1.121 -6.731 1.979 1.00 0.00 C ATOM 66 C VAL A 5 1.386 -7.465 3.293 1.00 0.00 C ATOM 67 O VAL A 5 0.699 -7.236 4.291 1.00 0.00 O ATOM 68 CB VAL A 5 1.749 -5.323 2.048 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.635 -4.620 0.704 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.092 -4.493 3.142 1.00 0.00 C ATOM 0 H VAL A 5 -0.843 -6.144 2.396 1.00 0.00 H new ATOM 0 HA VAL A 5 1.580 -7.291 1.164 1.00 0.00 H new ATOM 0 HB VAL A 5 2.806 -5.433 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.083 -3.629 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.156 -5.202 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.584 -4.525 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.550 -3.504 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.027 -4.393 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.228 -4.986 4.104 1.00 0.00 H new ATOM 80 N GLU A 6 2.396 -8.333 3.294 1.00 0.00 N ATOM 81 CA GLU A 6 2.752 -9.084 4.494 1.00 0.00 C ATOM 82 C GLU A 6 3.627 -8.233 5.413 1.00 0.00 C ATOM 83 O GLU A 6 4.749 -7.865 5.054 1.00 0.00 O ATOM 84 CB GLU A 6 3.477 -10.381 4.124 1.00 0.00 C ATOM 85 CG GLU A 6 3.306 -11.488 5.154 1.00 0.00 C ATOM 86 CD GLU A 6 2.015 -12.266 4.967 1.00 0.00 C ATOM 87 OE1 GLU A 6 0.930 -11.658 5.094 1.00 0.00 O ATOM 88 OE2 GLU A 6 2.089 -13.483 4.698 1.00 0.00 O ATOM 0 H GLU A 6 2.979 -8.532 2.481 1.00 0.00 H new ATOM 0 HA GLU A 6 1.834 -9.341 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.108 -10.732 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.540 -10.171 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.151 -12.173 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.323 -11.055 6.154 1.00 0.00 H new ATOM 95 N VAL A 7 3.097 -7.915 6.591 1.00 0.00 N ATOM 96 CA VAL A 7 3.813 -7.095 7.565 1.00 0.00 C ATOM 97 C VAL A 7 4.676 -7.950 8.485 1.00 0.00 C ATOM 98 O VAL A 7 4.222 -8.970 9.004 1.00 0.00 O ATOM 99 CB VAL A 7 2.838 -6.270 8.430 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.596 -5.279 9.301 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.816 -5.552 7.561 1.00 0.00 C ATOM 0 H VAL A 7 2.170 -8.214 6.895 1.00 0.00 H new ATOM 0 HA VAL A 7 4.451 -6.421 6.994 1.00 0.00 H new ATOM 0 HB VAL A 7 2.302 -6.958 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.889 -4.708 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.278 -5.819 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.165 -4.599 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.140 -4.977 8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.330 -4.879 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.244 -6.284 6.991 1.00 0.00 H new ATOM 111 N VAL A 8 5.922 -7.523 8.692 1.00 0.00 N ATOM 112 CA VAL A 8 6.843 -8.252 9.565 1.00 0.00 C ATOM 113 C VAL A 8 6.265 -8.378 10.976 1.00 0.00 C ATOM 114 O VAL A 8 5.976 -7.373 11.630 1.00 0.00 O ATOM 115 CB VAL A 8 8.228 -7.567 9.648 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.061 -7.896 8.417 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.086 -6.061 9.818 1.00 0.00 C ATOM 0 H VAL A 8 6.315 -6.682 8.270 1.00 0.00 H new ATOM 0 HA VAL A 8 6.972 -9.242 9.128 1.00 0.00 H new ATOM 0 HB VAL A 8 8.744 -7.954 10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.032 -7.406 8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.203 -8.975 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.545 -7.543 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.075 -5.606 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.544 -5.648 8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.537 -5.849 10.735 1.00 0.00 H new ATOM 127 N GLY A 9 6.088 -9.618 11.431 1.00 0.00 N ATOM 128 CA GLY A 9 5.534 -9.855 12.756 1.00 0.00 C ATOM 129 C GLY A 9 4.021 -9.979 12.740 1.00 0.00 C ATOM 130 O GLY A 9 3.463 -10.924 13.299 1.00 0.00 O ATOM 0 H GLY A 9 6.318 -10.462 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.966 -10.767 13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.821 -9.038 13.418 1.00 0.00 H new ATOM 134 N GLU A 10 3.356 -9.020 12.093 1.00 0.00 N ATOM 135 CA GLU A 10 1.897 -9.015 11.994 1.00 0.00 C ATOM 136 C GLU A 10 1.416 -10.016 10.941 1.00 0.00 C ATOM 137 O GLU A 10 2.197 -10.470 10.104 1.00 0.00 O ATOM 138 CB GLU A 10 1.396 -7.613 11.639 1.00 0.00 C ATOM 139 CG GLU A 10 0.832 -6.848 12.823 1.00 0.00 C ATOM 140 CD GLU A 10 -0.112 -5.740 12.401 1.00 0.00 C ATOM 141 OE1 GLU A 10 0.369 -4.616 12.140 1.00 0.00 O ATOM 142 OE2 GLU A 10 -1.332 -5.997 12.324 1.00 0.00 O ATOM 0 H GLU A 10 3.809 -8.233 11.628 1.00 0.00 H new ATOM 0 HA GLU A 10 1.492 -9.309 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.218 -7.042 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.627 -7.695 10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.305 -7.539 13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.652 -6.422 13.400 1.00 0.00 H new ATOM 149 N GLU A 11 0.125 -10.359 10.991 1.00 0.00 N ATOM 150 CA GLU A 11 -0.453 -11.307 10.038 1.00 0.00 C ATOM 151 C GLU A 11 -0.476 -10.714 8.620 1.00 0.00 C ATOM 152 O GLU A 11 0.544 -10.725 7.928 1.00 0.00 O ATOM 153 CB GLU A 11 -1.865 -11.721 10.480 1.00 0.00 C ATOM 154 CG GLU A 11 -1.879 -12.712 11.635 1.00 0.00 C ATOM 155 CD GLU A 11 -3.230 -13.381 11.817 1.00 0.00 C ATOM 156 OE1 GLU A 11 -4.220 -12.662 12.078 1.00 0.00 O ATOM 157 OE2 GLU A 11 -3.298 -14.622 11.701 1.00 0.00 O ATOM 0 H GLU A 11 -0.535 -9.996 11.678 1.00 0.00 H new ATOM 0 HA GLU A 11 0.175 -12.198 10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.421 -10.830 10.771 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.388 -12.160 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.120 -13.475 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.607 -12.195 12.555 1.00 0.00 H new ATOM 164 N THR A 12 -1.635 -10.206 8.185 1.00 0.00 N ATOM 165 CA THR A 12 -1.764 -9.624 6.849 1.00 0.00 C ATOM 166 C THR A 12 -2.370 -8.221 6.909 1.00 0.00 C ATOM 167 O THR A 12 -3.353 -7.991 7.617 1.00 0.00 O ATOM 168 CB THR A 12 -2.619 -10.529 5.953 1.00 0.00 C ATOM 169 OG1 THR A 12 -2.415 -11.898 6.268 1.00 0.00 O ATOM 170 CG2 THR A 12 -2.332 -10.352 4.477 1.00 0.00 C ATOM 0 H THR A 12 -2.492 -10.187 8.738 1.00 0.00 H new ATOM 0 HA THR A 12 -0.764 -9.543 6.423 1.00 0.00 H new ATOM 0 HB THR A 12 -3.649 -10.231 6.148 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.972 -12.454 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.970 -11.021 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.533 -9.320 4.188 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.286 -10.587 4.279 1.00 0.00 H new ATOM 178 N SER A 13 -1.779 -7.288 6.158 1.00 0.00 N ATOM 179 CA SER A 13 -2.260 -5.907 6.120 1.00 0.00 C ATOM 180 C SER A 13 -2.388 -5.404 4.681 1.00 0.00 C ATOM 181 O SER A 13 -1.824 -5.991 3.758 1.00 0.00 O ATOM 182 CB SER A 13 -1.320 -4.993 6.911 1.00 0.00 C ATOM 183 OG SER A 13 -1.861 -3.690 7.045 1.00 0.00 O ATOM 0 H SER A 13 -0.966 -7.465 5.568 1.00 0.00 H new ATOM 0 HA SER A 13 -3.249 -5.886 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.142 -5.418 7.899 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.354 -4.938 6.408 1.00 0.00 H new ATOM 0 HG SER A 13 -1.240 -3.129 7.556 1.00 0.00 H new ATOM 189 N GLU A 14 -3.136 -4.313 4.498 1.00 0.00 N ATOM 190 CA GLU A 14 -3.338 -3.733 3.172 1.00 0.00 C ATOM 191 C GLU A 14 -2.905 -2.267 3.136 1.00 0.00 C ATOM 192 O GLU A 14 -3.167 -1.507 4.072 1.00 0.00 O ATOM 193 CB GLU A 14 -4.805 -3.859 2.755 1.00 0.00 C ATOM 194 CG GLU A 14 -5.111 -5.136 1.986 1.00 0.00 C ATOM 195 CD GLU A 14 -6.591 -5.314 1.712 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.171 -4.463 1.004 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.170 -6.304 2.205 1.00 0.00 O ATOM 0 H GLU A 14 -3.610 -3.816 5.252 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.718 -4.286 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.432 -3.822 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.074 -3.001 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.570 -5.124 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.745 -5.993 2.552 1.00 0.00 H new ATOM 204 N VAL A 15 -2.238 -1.880 2.046 1.00 0.00 N ATOM 205 CA VAL A 15 -1.759 -0.509 1.875 1.00 0.00 C ATOM 206 C VAL A 15 -2.126 0.039 0.493 1.00 0.00 C ATOM 207 O VAL A 15 -2.190 -0.706 -0.484 1.00 0.00 O ATOM 208 CB VAL A 15 -0.228 -0.428 2.075 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.501 -1.276 1.041 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.252 1.017 2.023 1.00 0.00 C ATOM 0 H VAL A 15 -2.018 -2.500 1.267 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.248 0.101 2.634 1.00 0.00 H new ATOM 0 HB VAL A 15 0.003 -0.826 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.576 -1.202 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.190 -2.316 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.259 -0.917 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.332 1.047 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.002 1.449 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.235 1.591 2.812 1.00 0.00 H new ATOM 220 N ALA A 16 -2.366 1.348 0.420 1.00 0.00 N ATOM 221 CA ALA A 16 -2.727 1.997 -0.838 1.00 0.00 C ATOM 222 C ALA A 16 -1.485 2.355 -1.649 1.00 0.00 C ATOM 223 O ALA A 16 -0.578 3.026 -1.152 1.00 0.00 O ATOM 224 CB ALA A 16 -3.563 3.239 -0.568 1.00 0.00 C ATOM 0 H ALA A 16 -2.317 1.980 1.219 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.319 1.295 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.826 3.714 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.473 2.957 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.990 3.938 0.042 1.00 0.00 H new ATOM 230 N VAL A 17 -1.453 1.894 -2.900 1.00 0.00 N ATOM 231 CA VAL A 17 -0.322 2.154 -3.793 1.00 0.00 C ATOM 232 C VAL A 17 -0.747 2.975 -5.009 1.00 0.00 C ATOM 233 O VAL A 17 -1.930 3.044 -5.344 1.00 0.00 O ATOM 234 CB VAL A 17 0.324 0.841 -4.277 1.00 0.00 C ATOM 235 CG1 VAL A 17 1.238 0.269 -3.203 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.739 -0.174 -4.677 1.00 0.00 C ATOM 0 H VAL A 17 -2.198 1.338 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 17 0.407 2.722 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 17 0.925 1.063 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.685 -0.658 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.025 0.987 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.659 0.067 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.257 -1.092 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.375 -0.393 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.347 0.235 -5.484 1.00 0.00 H new ATOM 246 N ASP A 18 0.236 3.593 -5.666 1.00 0.00 N ATOM 247 CA ASP A 18 -0.021 4.413 -6.850 1.00 0.00 C ATOM 248 C ASP A 18 -0.184 3.557 -8.107 1.00 0.00 C ATOM 249 O ASP A 18 -0.871 3.960 -9.049 1.00 0.00 O ATOM 250 CB ASP A 18 1.104 5.428 -7.047 1.00 0.00 C ATOM 251 CG ASP A 18 0.836 6.730 -6.319 1.00 0.00 C ATOM 252 OD1 ASP A 18 0.168 7.610 -6.902 1.00 0.00 O ATOM 253 OD2 ASP A 18 1.294 6.869 -5.164 1.00 0.00 O ATOM 0 H ASP A 18 1.219 3.541 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.959 4.944 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.042 5.002 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.228 5.628 -8.111 1.00 0.00 H new ATOM 258 N ASP A 19 0.439 2.376 -8.117 1.00 0.00 N ATOM 259 CA ASP A 19 0.348 1.473 -9.262 1.00 0.00 C ATOM 260 C ASP A 19 -1.110 1.142 -9.582 1.00 0.00 C ATOM 261 O ASP A 19 -1.476 0.984 -10.748 1.00 0.00 O ATOM 262 CB ASP A 19 1.121 0.179 -8.990 1.00 0.00 C ATOM 263 CG ASP A 19 1.971 -0.261 -10.170 1.00 0.00 C ATOM 264 OD1 ASP A 19 1.508 -0.131 -11.324 1.00 0.00 O ATOM 265 OD2 ASP A 19 3.100 -0.737 -9.937 1.00 0.00 O ATOM 0 H ASP A 19 1.009 2.026 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 19 0.789 1.979 -10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.762 0.321 -8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.416 -0.614 -8.741 1.00 0.00 H new ATOM 270 N ASP A 20 -1.932 1.046 -8.534 1.00 0.00 N ATOM 271 CA ASP A 20 -3.355 0.741 -8.684 1.00 0.00 C ATOM 272 C ASP A 20 -4.018 1.696 -9.676 1.00 0.00 C ATOM 273 O ASP A 20 -4.545 1.269 -10.705 1.00 0.00 O ATOM 274 CB ASP A 20 -4.062 0.828 -7.326 1.00 0.00 C ATOM 275 CG ASP A 20 -4.644 -0.502 -6.884 1.00 0.00 C ATOM 276 OD1 ASP A 20 -5.731 -0.868 -7.380 1.00 0.00 O ATOM 277 OD2 ASP A 20 -4.015 -1.172 -6.039 1.00 0.00 O ATOM 0 H ASP A 20 -1.633 1.176 -7.568 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.444 -0.274 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.355 1.179 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.860 1.568 -7.383 1.00 0.00 H new ATOM 282 N GLY A 21 -3.990 2.990 -9.354 1.00 0.00 N ATOM 283 CA GLY A 21 -4.596 3.988 -10.224 1.00 0.00 C ATOM 284 C GLY A 21 -6.106 4.067 -10.064 1.00 0.00 C ATOM 285 O GLY A 21 -6.813 4.456 -10.995 1.00 0.00 O ATOM 0 H GLY A 21 -3.560 3.364 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.160 4.964 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.356 3.753 -11.261 1.00 0.00 H new ATOM 289 N THR A 22 -6.603 3.689 -8.883 1.00 0.00 N ATOM 290 CA THR A 22 -8.038 3.711 -8.610 1.00 0.00 C ATOM 291 C THR A 22 -8.441 4.993 -7.880 1.00 0.00 C ATOM 292 O THR A 22 -7.595 5.835 -7.570 1.00 0.00 O ATOM 293 CB THR A 22 -8.445 2.486 -7.778 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.378 1.549 -7.687 1.00 0.00 O ATOM 295 CG2 THR A 22 -9.657 1.768 -8.336 1.00 0.00 C ATOM 0 H THR A 22 -6.031 3.365 -8.103 1.00 0.00 H new ATOM 0 HA THR A 22 -8.560 3.682 -9.567 1.00 0.00 H new ATOM 0 HB THR A 22 -8.696 2.876 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.734 0.639 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.895 0.912 -7.705 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.506 2.451 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.442 1.424 -9.348 1.00 0.00 H new ATOM 303 N TYR A 23 -9.739 5.128 -7.600 1.00 0.00 N ATOM 304 CA TYR A 23 -10.269 6.300 -6.898 1.00 0.00 C ATOM 305 C TYR A 23 -9.587 6.487 -5.541 1.00 0.00 C ATOM 306 O TYR A 23 -9.298 7.614 -5.134 1.00 0.00 O ATOM 307 CB TYR A 23 -11.787 6.169 -6.706 1.00 0.00 C ATOM 308 CG TYR A 23 -12.202 5.018 -5.812 1.00 0.00 C ATOM 309 CD1 TYR A 23 -12.379 3.739 -6.327 1.00 0.00 C ATOM 310 CD2 TYR A 23 -12.412 5.210 -4.452 1.00 0.00 C ATOM 311 CE1 TYR A 23 -12.757 2.687 -5.514 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.790 4.164 -3.632 1.00 0.00 C ATOM 313 CZ TYR A 23 -12.960 2.905 -4.168 1.00 0.00 C ATOM 314 OH TYR A 23 -13.339 1.862 -3.352 1.00 0.00 O ATOM 0 H TYR A 23 -10.446 4.437 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.061 7.177 -7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -12.170 7.098 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -12.256 6.044 -7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.218 3.564 -7.381 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.277 6.194 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.893 1.700 -5.931 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.951 4.332 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.439 2.186 -2.432 1.00 0.00 H new ATOM 324 N ALA A 24 -9.326 5.374 -4.851 1.00 0.00 N ATOM 325 CA ALA A 24 -8.671 5.414 -3.546 1.00 0.00 C ATOM 326 C ALA A 24 -7.258 5.981 -3.662 1.00 0.00 C ATOM 327 O ALA A 24 -6.792 6.699 -2.773 1.00 0.00 O ATOM 328 CB ALA A 24 -8.627 4.024 -2.929 1.00 0.00 C ATOM 0 H ALA A 24 -9.559 4.436 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.253 6.069 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.136 4.073 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.643 3.649 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.071 3.353 -3.584 1.00 0.00 H new ATOM 334 N ASP A 25 -6.582 5.657 -4.768 1.00 0.00 N ATOM 335 CA ASP A 25 -5.225 6.136 -5.009 1.00 0.00 C ATOM 336 C ASP A 25 -5.180 7.664 -5.057 1.00 0.00 C ATOM 337 O ASP A 25 -4.231 8.276 -4.567 1.00 0.00 O ATOM 338 CB ASP A 25 -4.673 5.551 -6.314 1.00 0.00 C ATOM 339 CG ASP A 25 -3.224 5.931 -6.557 1.00 0.00 C ATOM 340 OD1 ASP A 25 -2.466 6.069 -5.572 1.00 0.00 O ATOM 341 OD2 ASP A 25 -2.848 6.095 -7.735 1.00 0.00 O ATOM 0 H ASP A 25 -6.956 5.064 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.601 5.802 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.760 4.465 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.281 5.898 -7.149 1.00 0.00 H new ATOM 346 N LEU A 26 -6.218 8.274 -5.637 1.00 0.00 N ATOM 347 CA LEU A 26 -6.300 9.731 -5.733 1.00 0.00 C ATOM 348 C LEU A 26 -6.210 10.366 -4.346 1.00 0.00 C ATOM 349 O LEU A 26 -5.529 11.375 -4.157 1.00 0.00 O ATOM 350 CB LEU A 26 -7.609 10.148 -6.420 1.00 0.00 C ATOM 351 CG LEU A 26 -7.521 11.379 -7.332 1.00 0.00 C ATOM 352 CD1 LEU A 26 -7.102 12.612 -6.544 1.00 0.00 C ATOM 353 CD2 LEU A 26 -6.560 11.129 -8.488 1.00 0.00 C ATOM 0 H LEU A 26 -7.011 7.780 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.460 10.083 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.971 9.307 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.356 10.342 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.513 11.562 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.047 13.470 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.834 12.809 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.125 12.441 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.514 12.015 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.567 10.912 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.911 10.281 -9.076 1.00 0.00 H new ATOM 365 N VAL A 27 -6.895 9.759 -3.375 1.00 0.00 N ATOM 366 CA VAL A 27 -6.890 10.256 -2.001 1.00 0.00 C ATOM 367 C VAL A 27 -5.517 10.064 -1.353 1.00 0.00 C ATOM 368 O VAL A 27 -4.953 11.005 -0.794 1.00 0.00 O ATOM 369 CB VAL A 27 -7.962 9.555 -1.137 1.00 0.00 C ATOM 370 CG1 VAL A 27 -8.077 10.224 0.224 1.00 0.00 C ATOM 371 CG2 VAL A 27 -9.310 9.542 -1.847 1.00 0.00 C ATOM 0 H VAL A 27 -7.460 8.922 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.121 11.320 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.651 8.522 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.837 9.715 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.118 10.168 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.358 11.269 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.048 9.043 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.630 10.566 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.218 9.007 -2.792 1.00 0.00 H new ATOM 381 N ARG A 28 -4.986 8.843 -1.438 1.00 0.00 N ATOM 382 CA ARG A 28 -3.675 8.533 -0.864 1.00 0.00 C ATOM 383 C ARG A 28 -2.580 9.411 -1.477 1.00 0.00 C ATOM 384 O ARG A 28 -1.641 9.811 -0.787 1.00 0.00 O ATOM 385 CB ARG A 28 -3.329 7.055 -1.067 1.00 0.00 C ATOM 386 CG ARG A 28 -2.316 6.520 -0.066 1.00 0.00 C ATOM 387 CD ARG A 28 -0.891 6.705 -0.566 1.00 0.00 C ATOM 388 NE ARG A 28 0.097 6.154 0.363 1.00 0.00 N ATOM 389 CZ ARG A 28 1.387 6.500 0.375 1.00 0.00 C ATOM 390 NH1 ARG A 28 1.860 7.389 -0.496 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.214 5.951 1.261 1.00 0.00 N ATOM 0 H ARG A 28 -5.442 8.055 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.728 8.741 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.242 6.464 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.937 6.918 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.438 7.034 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.505 5.462 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.783 6.222 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.695 7.767 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.219 5.463 1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.235 7.813 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.847 7.646 -0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.863 5.266 1.930 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.199 6.215 1.271 1.00 0.00 H new ATOM 405 N ALA A 29 -2.710 9.702 -2.776 1.00 0.00 N ATOM 406 CA ALA A 29 -1.737 10.534 -3.490 1.00 0.00 C ATOM 407 C ALA A 29 -1.536 11.892 -2.811 1.00 0.00 C ATOM 408 O ALA A 29 -0.473 12.503 -2.937 1.00 0.00 O ATOM 409 CB ALA A 29 -2.171 10.731 -4.935 1.00 0.00 C ATOM 0 H ALA A 29 -3.482 9.372 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.782 10.010 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.439 11.351 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.241 9.762 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.144 11.222 -4.959 1.00 0.00 H new ATOM 415 N VAL A 30 -2.555 12.359 -2.084 1.00 0.00 N ATOM 416 CA VAL A 30 -2.478 13.637 -1.380 1.00 0.00 C ATOM 417 C VAL A 30 -1.980 13.451 0.063 1.00 0.00 C ATOM 418 O VAL A 30 -2.245 14.283 0.932 1.00 0.00 O ATOM 419 CB VAL A 30 -3.851 14.349 -1.371 1.00 0.00 C ATOM 420 CG1 VAL A 30 -3.707 15.800 -0.931 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.509 14.268 -2.744 1.00 0.00 C ATOM 0 H VAL A 30 -3.442 11.869 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.762 14.259 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.492 13.838 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.686 16.280 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.287 15.835 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.045 16.325 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.474 14.775 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.868 14.748 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.656 13.223 -3.016 1.00 0.00 H new ATOM 431 N ASP A 31 -1.259 12.348 0.309 1.00 0.00 N ATOM 432 CA ASP A 31 -0.723 12.042 1.634 1.00 0.00 C ATOM 433 C ASP A 31 -1.841 11.847 2.658 1.00 0.00 C ATOM 434 O ASP A 31 -1.795 12.392 3.765 1.00 0.00 O ATOM 435 CB ASP A 31 0.243 13.142 2.094 1.00 0.00 C ATOM 436 CG ASP A 31 1.700 12.750 1.918 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.100 11.689 2.442 1.00 0.00 O ATOM 438 OD2 ASP A 31 2.439 13.508 1.256 1.00 0.00 O ATOM 0 H ASP A 31 -1.035 11.651 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.173 11.104 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.045 14.054 1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.056 13.369 3.143 1.00 0.00 H new ATOM 443 N LEU A 32 -2.845 11.056 2.286 1.00 0.00 N ATOM 444 CA LEU A 32 -3.971 10.777 3.171 1.00 0.00 C ATOM 445 C LEU A 32 -3.966 9.311 3.615 1.00 0.00 C ATOM 446 O LEU A 32 -5.024 8.713 3.822 1.00 0.00 O ATOM 447 CB LEU A 32 -5.291 11.112 2.468 1.00 0.00 C ATOM 448 CG LEU A 32 -5.841 12.512 2.748 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.467 13.471 1.627 1.00 0.00 C ATOM 450 CD2 LEU A 32 -7.351 12.459 2.929 1.00 0.00 C ATOM 0 H LEU A 32 -2.901 10.597 1.377 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.872 11.403 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.149 11.003 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.040 10.378 2.767 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.395 12.881 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.868 14.461 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.382 13.529 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.883 13.111 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.729 13.462 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.813 12.070 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.594 11.807 3.768 1.00 0.00 H new ATOM 462 N SER A 33 -2.770 8.735 3.767 1.00 0.00 N ATOM 463 CA SER A 33 -2.646 7.343 4.191 1.00 0.00 C ATOM 464 C SER A 33 -2.552 7.244 5.713 1.00 0.00 C ATOM 465 O SER A 33 -1.634 7.800 6.320 1.00 0.00 O ATOM 466 CB SER A 33 -1.417 6.686 3.550 1.00 0.00 C ATOM 467 OG SER A 33 -0.391 7.633 3.299 1.00 0.00 O ATOM 0 H SER A 33 -1.882 9.209 3.604 1.00 0.00 H new ATOM 0 HA SER A 33 -3.540 6.814 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.038 5.903 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.706 6.205 2.615 1.00 0.00 H new ATOM 0 HG SER A 33 0.378 7.182 2.892 1.00 0.00 H new ATOM 473 N PRO A 34 -3.503 6.529 6.351 1.00 0.00 N ATOM 474 CA PRO A 34 -3.525 6.358 7.808 1.00 0.00 C ATOM 475 C PRO A 34 -2.531 5.299 8.301 1.00 0.00 C ATOM 476 O PRO A 34 -1.989 5.416 9.401 1.00 0.00 O ATOM 477 CB PRO A 34 -4.961 5.914 8.081 1.00 0.00 C ATOM 478 CG PRO A 34 -5.373 5.188 6.845 1.00 0.00 C ATOM 479 CD PRO A 34 -4.636 5.835 5.700 1.00 0.00 C ATOM 0 HA PRO A 34 -3.233 7.270 8.328 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.016 5.268 8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.610 6.768 8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.125 4.129 6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.451 5.253 6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.290 5.095 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.274 6.533 5.158 1.00 0.00 H new ATOM 487 N HIS A 35 -2.302 4.266 7.482 1.00 0.00 N ATOM 488 CA HIS A 35 -1.376 3.189 7.838 1.00 0.00 C ATOM 489 C HIS A 35 0.072 3.678 7.828 1.00 0.00 C ATOM 490 O HIS A 35 0.857 3.321 8.710 1.00 0.00 O ATOM 491 CB HIS A 35 -1.529 2.008 6.876 1.00 0.00 C ATOM 492 CG HIS A 35 -2.682 1.107 7.204 1.00 0.00 C ATOM 493 ND1 HIS A 35 -2.827 0.483 8.426 1.00 0.00 N ATOM 494 CD2 HIS A 35 -3.747 0.723 6.460 1.00 0.00 C ATOM 495 CE1 HIS A 35 -3.929 -0.247 8.418 1.00 0.00 C ATOM 496 NE2 HIS A 35 -4.506 -0.117 7.237 1.00 0.00 N ATOM 0 H HIS A 35 -2.745 4.155 6.570 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.623 2.862 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.655 2.390 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.609 1.423 6.884 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.960 1.022 5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.295 -0.847 9.238 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.375 -0.568 6.949 1.00 0.00 H new ATOM 505 N GLU A 36 0.418 4.495 6.826 1.00 0.00 N ATOM 506 CA GLU A 36 1.770 5.037 6.693 1.00 0.00 C ATOM 507 C GLU A 36 2.819 3.925 6.748 1.00 0.00 C ATOM 508 O GLU A 36 3.579 3.815 7.713 1.00 0.00 O ATOM 509 CB GLU A 36 2.032 6.079 7.783 1.00 0.00 C ATOM 510 CG GLU A 36 2.082 7.508 7.263 1.00 0.00 C ATOM 511 CD GLU A 36 1.596 8.520 8.283 1.00 0.00 C ATOM 512 OE1 GLU A 36 2.019 8.438 9.458 1.00 0.00 O ATOM 513 OE2 GLU A 36 0.792 9.397 7.906 1.00 0.00 O ATOM 0 H GLU A 36 -0.225 4.795 6.093 1.00 0.00 H new ATOM 0 HA GLU A 36 1.848 5.521 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.251 6.004 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.977 5.847 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.105 7.750 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.472 7.584 6.363 1.00 0.00 H new ATOM 520 N VAL A 37 2.851 3.098 5.703 1.00 0.00 N ATOM 521 CA VAL A 37 3.802 1.989 5.625 1.00 0.00 C ATOM 522 C VAL A 37 4.642 2.069 4.352 1.00 0.00 C ATOM 523 O VAL A 37 4.160 2.505 3.304 1.00 0.00 O ATOM 524 CB VAL A 37 3.084 0.623 5.674 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.439 0.403 7.033 1.00 0.00 C ATOM 526 CG2 VAL A 37 2.049 0.518 4.565 1.00 0.00 C ATOM 0 H VAL A 37 2.229 3.175 4.898 1.00 0.00 H new ATOM 0 HA VAL A 37 4.457 2.075 6.492 1.00 0.00 H new ATOM 0 HB VAL A 37 3.829 -0.158 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.939 -0.565 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.206 0.426 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.710 1.191 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.555 -0.452 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.308 1.309 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.540 0.622 3.598 1.00 0.00 H new ATOM 536 N THR A 38 5.901 1.644 4.455 1.00 0.00 N ATOM 537 CA THR A 38 6.820 1.662 3.319 1.00 0.00 C ATOM 538 C THR A 38 6.870 0.295 2.639 1.00 0.00 C ATOM 539 O THR A 38 7.240 -0.704 3.263 1.00 0.00 O ATOM 540 CB THR A 38 8.222 2.075 3.781 1.00 0.00 C ATOM 541 OG1 THR A 38 8.186 3.335 4.430 1.00 0.00 O ATOM 542 CG2 THR A 38 9.228 2.167 2.650 1.00 0.00 C ATOM 0 H THR A 38 6.308 1.282 5.317 1.00 0.00 H new ATOM 0 HA THR A 38 6.456 2.391 2.595 1.00 0.00 H new ATOM 0 HB THR A 38 8.542 1.288 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.090 3.580 4.719 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.198 2.464 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.318 1.196 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.892 2.907 1.924 1.00 0.00 H new ATOM 550 N VAL A 39 6.496 0.262 1.362 1.00 0.00 N ATOM 551 CA VAL A 39 6.494 -0.982 0.595 1.00 0.00 C ATOM 552 C VAL A 39 7.877 -1.288 0.019 1.00 0.00 C ATOM 553 O VAL A 39 8.517 -0.419 -0.578 1.00 0.00 O ATOM 554 CB VAL A 39 5.465 -0.939 -0.556 1.00 0.00 C ATOM 555 CG1 VAL A 39 4.068 -0.670 -0.014 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.849 0.105 -1.598 1.00 0.00 C ATOM 0 H VAL A 39 6.191 1.081 0.837 1.00 0.00 H new ATOM 0 HA VAL A 39 6.215 -1.773 1.291 1.00 0.00 H new ATOM 0 HB VAL A 39 5.464 -1.914 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.356 -0.643 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.788 -1.462 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.058 0.288 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.107 0.113 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.889 1.089 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.827 -0.139 -2.014 1.00 0.00 H new ATOM 566 N LEU A 40 8.328 -2.527 0.202 1.00 0.00 N ATOM 567 CA LEU A 40 9.631 -2.952 -0.302 1.00 0.00 C ATOM 568 C LEU A 40 9.472 -3.846 -1.529 1.00 0.00 C ATOM 569 O LEU A 40 8.502 -4.604 -1.638 1.00 0.00 O ATOM 570 CB LEU A 40 10.410 -3.695 0.785 1.00 0.00 C ATOM 571 CG LEU A 40 11.325 -2.819 1.646 1.00 0.00 C ATOM 572 CD1 LEU A 40 11.873 -3.611 2.824 1.00 0.00 C ATOM 573 CD2 LEU A 40 12.462 -2.247 0.809 1.00 0.00 C ATOM 0 H LEU A 40 7.810 -3.254 0.696 1.00 0.00 H new ATOM 0 HA LEU A 40 10.188 -2.060 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.699 -4.201 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.015 -4.469 0.312 1.00 0.00 H new ATOM 0 HG LEU A 40 10.736 -1.989 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.521 -2.971 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.046 -3.968 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.445 -4.462 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.101 -1.628 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.049 -3.063 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.050 -1.641 0.002 1.00 0.00 H new ATOM 585 N VAL A 41 10.438 -3.761 -2.441 1.00 0.00 N ATOM 586 CA VAL A 41 10.421 -4.565 -3.657 1.00 0.00 C ATOM 587 C VAL A 41 11.386 -5.736 -3.517 1.00 0.00 C ATOM 588 O VAL A 41 12.502 -5.569 -3.021 1.00 0.00 O ATOM 589 CB VAL A 41 10.806 -3.725 -4.896 1.00 0.00 C ATOM 590 CG1 VAL A 41 10.488 -4.478 -6.181 1.00 0.00 C ATOM 591 CG2 VAL A 41 10.097 -2.376 -4.877 1.00 0.00 C ATOM 0 H VAL A 41 11.244 -3.141 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 41 9.406 -4.936 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 41 11.881 -3.547 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.767 -3.867 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.048 -5.413 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.420 -4.694 -6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.383 -1.802 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.018 -2.532 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.382 -1.828 -3.979 1.00 0.00 H new ATOM 601 N ASP A 42 10.957 -6.920 -3.947 1.00 0.00 N ATOM 602 CA ASP A 42 11.795 -8.107 -3.849 1.00 0.00 C ATOM 603 C ASP A 42 12.990 -7.990 -4.786 1.00 0.00 C ATOM 604 O ASP A 42 12.826 -7.852 -5.997 1.00 0.00 O ATOM 605 CB ASP A 42 10.989 -9.372 -4.176 1.00 0.00 C ATOM 606 CG ASP A 42 10.389 -9.348 -5.571 1.00 0.00 C ATOM 607 OD1 ASP A 42 9.382 -8.638 -5.773 1.00 0.00 O ATOM 608 OD2 ASP A 42 10.927 -10.041 -6.462 1.00 0.00 O ATOM 0 H ASP A 42 10.040 -7.080 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 42 12.157 -8.185 -2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.636 -10.244 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.189 -9.486 -3.444 1.00 0.00 H new ATOM 613 N GLY A 43 14.182 -8.052 -4.195 1.00 0.00 N ATOM 614 CA GLY A 43 15.432 -7.958 -4.940 1.00 0.00 C ATOM 615 C GLY A 43 15.333 -7.189 -6.252 1.00 0.00 C ATOM 616 O GLY A 43 15.805 -7.666 -7.286 1.00 0.00 O ATOM 0 H GLY A 43 14.306 -8.168 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.181 -7.479 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.791 -8.966 -5.151 1.00 0.00 H new ATOM 759 N GLU A 53 -2.253 -3.773 -12.633 1.00 0.00 N ATOM 760 CA GLU A 53 -2.842 -2.687 -11.849 1.00 0.00 C ATOM 761 C GLU A 53 -2.380 -2.744 -10.390 1.00 0.00 C ATOM 762 O GLU A 53 -2.012 -1.723 -9.811 1.00 0.00 O ATOM 763 CB GLU A 53 -4.376 -2.730 -11.925 1.00 0.00 C ATOM 764 CG GLU A 53 -4.999 -4.007 -11.363 1.00 0.00 C ATOM 765 CD GLU A 53 -6.494 -4.098 -11.615 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.174 -3.051 -11.573 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.987 -5.223 -11.849 1.00 0.00 O ATOM 0 HA GLU A 53 -2.499 -1.745 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.779 -1.874 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.680 -2.620 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.508 -4.871 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.813 -4.054 -10.290 1.00 0.00 H new ATOM 774 N VAL A 54 -2.396 -3.942 -9.805 1.00 0.00 N ATOM 775 CA VAL A 54 -1.974 -4.123 -8.418 1.00 0.00 C ATOM 776 C VAL A 54 -0.696 -4.958 -8.333 1.00 0.00 C ATOM 777 O VAL A 54 -0.333 -5.655 -9.283 1.00 0.00 O ATOM 778 CB VAL A 54 -3.075 -4.804 -7.575 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.322 -3.935 -7.514 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.406 -6.181 -8.134 1.00 0.00 C ATOM 0 H VAL A 54 -2.696 -4.799 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.783 -3.128 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.698 -4.929 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.084 -4.434 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.075 -2.975 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.702 -3.772 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.183 -6.643 -7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.759 -6.082 -9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.513 -6.805 -8.117 1.00 0.00 H new ATOM 790 N ASP A 55 -0.021 -4.884 -7.186 1.00 0.00 N ATOM 791 CA ASP A 55 1.216 -5.630 -6.970 1.00 0.00 C ATOM 792 C ASP A 55 1.363 -6.028 -5.502 1.00 0.00 C ATOM 793 O ASP A 55 0.853 -5.347 -4.610 1.00 0.00 O ATOM 794 CB ASP A 55 2.421 -4.788 -7.401 1.00 0.00 C ATOM 795 CG ASP A 55 2.470 -3.444 -6.702 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.000 -3.380 -5.571 1.00 0.00 O ATOM 797 OD2 ASP A 55 1.970 -2.456 -7.278 1.00 0.00 O ATOM 0 H ASP A 55 -0.312 -4.314 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 55 1.175 -6.537 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.338 -5.337 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.384 -4.632 -8.479 1.00 0.00 H new ATOM 802 N ARG A 56 2.071 -7.130 -5.257 1.00 0.00 N ATOM 803 CA ARG A 56 2.292 -7.604 -3.895 1.00 0.00 C ATOM 804 C ARG A 56 3.649 -7.136 -3.383 1.00 0.00 C ATOM 805 O ARG A 56 4.680 -7.384 -4.010 1.00 0.00 O ATOM 806 CB ARG A 56 2.206 -9.131 -3.833 1.00 0.00 C ATOM 807 CG ARG A 56 2.224 -9.683 -2.415 1.00 0.00 C ATOM 808 CD ARG A 56 2.359 -11.199 -2.408 1.00 0.00 C ATOM 809 NE ARG A 56 1.175 -11.853 -1.848 1.00 0.00 N ATOM 810 CZ ARG A 56 0.892 -13.149 -2.006 1.00 0.00 C ATOM 811 NH1 ARG A 56 1.707 -13.938 -2.703 1.00 0.00 N ATOM 812 NH2 ARG A 56 -0.207 -13.658 -1.463 1.00 0.00 N ATOM 0 H ARG A 56 2.499 -7.707 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 56 1.512 -7.186 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.292 -9.456 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.040 -9.557 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.052 -9.240 -1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.307 -9.396 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.521 -11.553 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.238 -11.482 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 56 0.526 -11.284 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.555 -13.554 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.484 -14.927 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.835 -13.060 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.424 -14.647 -1.583 1.00 0.00 H new ATOM 826 N VAL A 57 3.638 -6.460 -2.238 1.00 0.00 N ATOM 827 CA VAL A 57 4.864 -5.948 -1.631 1.00 0.00 C ATOM 828 C VAL A 57 4.883 -6.206 -0.125 1.00 0.00 C ATOM 829 O VAL A 57 3.862 -6.561 0.466 1.00 0.00 O ATOM 830 CB VAL A 57 5.040 -4.436 -1.893 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.415 -4.179 -3.345 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.775 -3.672 -1.520 1.00 0.00 C ATOM 0 H VAL A 57 2.790 -6.253 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 57 5.693 -6.482 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 57 5.853 -4.076 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.534 -3.107 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.352 -4.686 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.628 -4.559 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.922 -2.609 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.940 -4.037 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.558 -3.822 -0.463 1.00 0.00 H new ATOM 842 N LYS A 58 6.050 -6.027 0.491 1.00 0.00 N ATOM 843 CA LYS A 58 6.203 -6.240 1.931 1.00 0.00 C ATOM 844 C LYS A 58 6.432 -4.916 2.654 1.00 0.00 C ATOM 845 O LYS A 58 7.309 -4.136 2.274 1.00 0.00 O ATOM 846 CB LYS A 58 7.360 -7.205 2.215 1.00 0.00 C ATOM 847 CG LYS A 58 8.538 -7.056 1.259 1.00 0.00 C ATOM 848 CD LYS A 58 9.598 -8.119 1.490 1.00 0.00 C ATOM 849 CE LYS A 58 9.068 -9.514 1.191 1.00 0.00 C ATOM 850 NZ LYS A 58 10.070 -10.354 0.476 1.00 0.00 N ATOM 0 H LYS A 58 6.904 -5.735 0.016 1.00 0.00 H new ATOM 0 HA LYS A 58 5.280 -6.683 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.710 -7.046 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.988 -8.228 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.181 -7.118 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.982 -6.068 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.463 -7.915 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.941 -8.073 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.787 -10.002 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.164 -9.436 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.667 -11.295 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.320 -9.903 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.923 -10.451 1.063 1.00 0.00 H new ATOM 864 N VAL A 59 5.641 -4.669 3.698 1.00 0.00 N ATOM 865 CA VAL A 59 5.755 -3.438 4.478 1.00 0.00 C ATOM 866 C VAL A 59 6.520 -3.673 5.778 1.00 0.00 C ATOM 867 O VAL A 59 6.364 -4.710 6.428 1.00 0.00 O ATOM 868 CB VAL A 59 4.371 -2.829 4.805 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.713 -2.289 3.545 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.471 -3.850 5.488 1.00 0.00 C ATOM 0 H VAL A 59 4.914 -5.306 4.023 1.00 0.00 H new ATOM 0 HA VAL A 59 6.307 -2.732 3.858 1.00 0.00 H new ATOM 0 HB VAL A 59 4.522 -2.000 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.741 -1.865 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.344 -1.516 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.582 -3.099 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.505 -3.395 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.328 -4.707 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.935 -4.180 6.417 1.00 0.00 H new ATOM 880 N LEU A 60 7.344 -2.696 6.151 1.00 0.00 N ATOM 881 CA LEU A 60 8.139 -2.783 7.373 1.00 0.00 C ATOM 882 C LEU A 60 7.461 -2.037 8.520 1.00 0.00 C ATOM 883 O LEU A 60 7.094 -0.869 8.380 1.00 0.00 O ATOM 884 CB LEU A 60 9.541 -2.214 7.134 1.00 0.00 C ATOM 885 CG LEU A 60 10.633 -2.738 8.074 1.00 0.00 C ATOM 886 CD1 LEU A 60 12.011 -2.421 7.516 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.471 -2.144 9.465 1.00 0.00 C ATOM 0 H LEU A 60 7.478 -1.834 5.623 1.00 0.00 H new ATOM 0 HA LEU A 60 8.223 -3.834 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.833 -2.433 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.495 -1.129 7.227 1.00 0.00 H new ATOM 0 HG LEU A 60 10.532 -3.821 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.775 -2.800 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.126 -2.894 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.122 -1.342 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.255 -2.528 10.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.545 -1.058 9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.496 -2.420 9.867 1.00 0.00 H new ATOM 899 N ARG A 61 7.306 -2.717 9.655 1.00 0.00 N ATOM 900 CA ARG A 61 6.677 -2.120 10.831 1.00 0.00 C ATOM 901 C ARG A 61 7.718 -1.822 11.911 1.00 0.00 C ATOM 902 O ARG A 61 7.846 -0.681 12.359 1.00 0.00 O ATOM 903 CB ARG A 61 5.593 -3.049 11.385 1.00 0.00 C ATOM 904 CG ARG A 61 4.620 -2.358 12.332 1.00 0.00 C ATOM 905 CD ARG A 61 3.222 -2.952 12.233 1.00 0.00 C ATOM 906 NE ARG A 61 2.216 -1.936 11.923 1.00 0.00 N ATOM 907 CZ ARG A 61 1.993 -1.449 10.698 1.00 0.00 C ATOM 908 NH1 ARG A 61 2.708 -1.880 9.660 1.00 0.00 N ATOM 909 NH2 ARG A 61 1.053 -0.528 10.511 1.00 0.00 N ATOM 0 H ARG A 61 7.608 -3.683 9.785 1.00 0.00 H new ATOM 0 HA ARG A 61 6.215 -1.180 10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.034 -3.477 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.070 -3.877 11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.982 -2.448 13.356 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.581 -1.294 12.101 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.209 -3.722 11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.967 -3.439 13.174 1.00 0.00 H new ATOM 0 HE ARG A 61 1.649 -1.576 12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.431 -2.586 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.532 -1.504 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.502 -0.193 11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.882 -0.156 9.577 1.00 0.00 H new