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+ 164:sc= 3.38 (180deg=1.95) USER MOD Set 1.2: A 22 THR OG1 : rot 140:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.1) 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 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.391 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.731 1.315 -5.011 1.00 0.00 N ATOM 2 CA MET A 1 -6.571 0.534 -4.063 1.00 0.00 C ATOM 3 C MET A 1 -5.711 -0.153 -2.998 1.00 0.00 C ATOM 4 O MET A 1 -4.508 0.090 -2.907 1.00 0.00 O ATOM 5 CB MET A 1 -7.373 -0.502 -4.861 1.00 0.00 C ATOM 6 CG MET A 1 -6.517 -1.580 -5.509 1.00 0.00 C ATOM 7 SD MET A 1 -7.310 -3.198 -5.487 1.00 0.00 S ATOM 8 CE MET A 1 -7.834 -3.342 -7.192 1.00 0.00 C ATOM 0 H1 MET A 1 -6.286 1.541 -5.861 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.421 2.197 -4.555 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.898 0.753 -5.281 1.00 0.00 H new ATOM 0 HA MET A 1 -7.251 1.209 -3.543 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.096 -0.976 -4.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.941 0.012 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.303 -1.298 -6.540 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.561 -1.641 -4.990 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.343 -4.295 -7.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.515 -2.526 -7.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.963 -3.293 -7.846 1.00 0.00 H new ATOM 20 N ASN A 2 -6.338 -1.009 -2.191 1.00 0.00 N ATOM 21 CA ASN A 2 -5.628 -1.724 -1.135 1.00 0.00 C ATOM 22 C ASN A 2 -4.986 -3.004 -1.669 1.00 0.00 C ATOM 23 O ASN A 2 -5.559 -3.693 -2.514 1.00 0.00 O ATOM 24 CB ASN A 2 -6.579 -2.065 0.017 1.00 0.00 C ATOM 25 CG ASN A 2 -6.862 -0.875 0.917 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.449 0.250 0.633 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.571 -1.119 2.016 1.00 0.00 N ATOM 0 H ASN A 2 -7.334 -1.223 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.839 -1.069 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.518 -2.438 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.148 -2.870 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.791 -0.359 2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.894 -2.066 2.215 1.00 0.00 H new ATOM 34 N VAL A 3 -3.793 -3.310 -1.164 1.00 0.00 N ATOM 35 CA VAL A 3 -3.057 -4.502 -1.577 1.00 0.00 C ATOM 36 C VAL A 3 -2.603 -5.308 -0.362 1.00 0.00 C ATOM 37 O VAL A 3 -2.180 -4.741 0.645 1.00 0.00 O ATOM 38 CB VAL A 3 -1.828 -4.141 -2.437 1.00 0.00 C ATOM 39 CG1 VAL A 3 -1.139 -5.398 -2.951 1.00 0.00 C ATOM 40 CG2 VAL A 3 -2.233 -3.241 -3.598 1.00 0.00 C ATOM 0 H VAL A 3 -3.313 -2.745 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.738 -5.105 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.122 -3.598 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.276 -5.119 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.811 -6.004 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.837 -5.972 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.353 -2.997 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.961 -3.758 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.675 -2.323 -3.210 1.00 0.00 H new ATOM 50 N THR A 4 -2.696 -6.633 -0.466 1.00 0.00 N ATOM 51 CA THR A 4 -2.297 -7.515 0.629 1.00 0.00 C ATOM 52 C THR A 4 -0.775 -7.592 0.724 1.00 0.00 C ATOM 53 O THR A 4 -0.110 -8.106 -0.178 1.00 0.00 O ATOM 54 CB THR A 4 -2.889 -8.914 0.429 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.302 -8.853 0.353 1.00 0.00 O ATOM 56 CG2 THR A 4 -2.533 -9.884 1.537 1.00 0.00 C ATOM 0 H THR A 4 -3.043 -7.117 -1.294 1.00 0.00 H new ATOM 0 HA THR A 4 -2.682 -7.104 1.562 1.00 0.00 H new ATOM 0 HB THR A 4 -2.455 -9.278 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.662 -9.755 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.985 -10.854 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.450 -9.993 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.908 -9.504 2.487 1.00 0.00 H new ATOM 64 N VAL A 5 -0.237 -7.066 1.822 1.00 0.00 N ATOM 65 CA VAL A 5 1.205 -7.055 2.046 1.00 0.00 C ATOM 66 C VAL A 5 1.581 -7.857 3.291 1.00 0.00 C ATOM 67 O VAL A 5 0.916 -7.766 4.325 1.00 0.00 O ATOM 68 CB VAL A 5 1.737 -5.614 2.191 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.603 -4.863 0.876 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.012 -4.878 3.310 1.00 0.00 C ATOM 0 H VAL A 5 -0.781 -6.641 2.573 1.00 0.00 H new ATOM 0 HA VAL A 5 1.664 -7.519 1.173 1.00 0.00 H new ATOM 0 HB VAL A 5 2.794 -5.664 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.983 -3.848 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.176 -5.376 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.554 -4.825 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.404 -3.864 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.054 -4.837 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.166 -5.405 4.252 1.00 0.00 H new ATOM 80 N GLU A 6 2.652 -8.642 3.183 1.00 0.00 N ATOM 81 CA GLU A 6 3.118 -9.459 4.301 1.00 0.00 C ATOM 82 C GLU A 6 3.964 -8.628 5.265 1.00 0.00 C ATOM 83 O GLU A 6 5.042 -8.147 4.910 1.00 0.00 O ATOM 84 CB GLU A 6 3.917 -10.671 3.797 1.00 0.00 C ATOM 85 CG GLU A 6 4.997 -10.325 2.780 1.00 0.00 C ATOM 86 CD GLU A 6 5.972 -11.465 2.537 1.00 0.00 C ATOM 87 OE1 GLU A 6 6.401 -12.104 3.520 1.00 0.00 O ATOM 88 OE2 GLU A 6 6.310 -11.713 1.360 1.00 0.00 O ATOM 0 H GLU A 6 3.212 -8.729 2.335 1.00 0.00 H new ATOM 0 HA GLU A 6 2.242 -9.824 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.381 -11.166 4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.227 -11.387 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.525 -10.051 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.548 -9.451 3.127 1.00 0.00 H new ATOM 95 N VAL A 7 3.462 -8.460 6.487 1.00 0.00 N ATOM 96 CA VAL A 7 4.159 -7.688 7.512 1.00 0.00 C ATOM 97 C VAL A 7 5.107 -8.574 8.314 1.00 0.00 C ATOM 98 O VAL A 7 4.739 -9.672 8.733 1.00 0.00 O ATOM 99 CB VAL A 7 3.170 -7.006 8.485 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.890 -5.981 9.350 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.020 -6.361 7.723 1.00 0.00 C ATOM 0 H VAL A 7 2.570 -8.851 6.792 1.00 0.00 H new ATOM 0 HA VAL A 7 4.729 -6.919 6.991 1.00 0.00 H new ATOM 0 HB VAL A 7 2.753 -7.771 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.177 -5.512 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.669 -6.477 9.929 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.340 -5.219 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.337 -5.887 8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.413 -5.610 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.486 -7.124 7.157 1.00 0.00 H new ATOM 111 N VAL A 8 6.330 -8.090 8.525 1.00 0.00 N ATOM 112 CA VAL A 8 7.329 -8.838 9.282 1.00 0.00 C ATOM 113 C VAL A 8 6.912 -8.966 10.746 1.00 0.00 C ATOM 114 O VAL A 8 6.713 -7.963 11.433 1.00 0.00 O ATOM 115 CB VAL A 8 8.718 -8.166 9.207 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.783 -9.047 9.847 1.00 0.00 C ATOM 117 CG2 VAL A 8 9.081 -7.843 7.763 1.00 0.00 C ATOM 0 H VAL A 8 6.651 -7.185 8.182 1.00 0.00 H new ATOM 0 HA VAL A 8 7.396 -9.829 8.833 1.00 0.00 H new ATOM 0 HB VAL A 8 8.673 -7.231 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.752 -8.552 9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.533 -9.218 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.827 -10.002 9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.063 -7.370 7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.102 -8.763 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.338 -7.164 7.344 1.00 0.00 H new ATOM 127 N GLY A 9 6.772 -10.209 11.212 1.00 0.00 N ATOM 128 CA GLY A 9 6.369 -10.451 12.588 1.00 0.00 C ATOM 129 C GLY A 9 4.862 -10.405 12.766 1.00 0.00 C ATOM 130 O GLY A 9 4.256 -11.369 13.235 1.00 0.00 O ATOM 0 H GLY A 9 6.931 -11.051 10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.740 -11.425 12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.832 -9.706 13.236 1.00 0.00 H new ATOM 134 N GLU A 10 4.259 -9.277 12.392 1.00 0.00 N ATOM 135 CA GLU A 10 2.814 -9.091 12.505 1.00 0.00 C ATOM 136 C GLU A 10 2.071 -9.818 11.381 1.00 0.00 C ATOM 137 O GLU A 10 2.671 -10.205 10.378 1.00 0.00 O ATOM 138 CB GLU A 10 2.472 -7.600 12.485 1.00 0.00 C ATOM 139 CG GLU A 10 1.207 -7.252 13.257 1.00 0.00 C ATOM 140 CD GLU A 10 1.416 -6.131 14.258 1.00 0.00 C ATOM 141 OE1 GLU A 10 2.324 -6.251 15.109 1.00 0.00 O ATOM 142 OE2 GLU A 10 0.669 -5.132 14.193 1.00 0.00 O ATOM 0 H GLU A 10 4.754 -8.473 12.005 1.00 0.00 H new ATOM 0 HA GLU A 10 2.492 -9.520 13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.308 -7.039 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.356 -7.277 11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.426 -6.963 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.852 -8.139 13.781 1.00 0.00 H new ATOM 149 N GLU A 11 0.761 -10.006 11.566 1.00 0.00 N ATOM 150 CA GLU A 11 -0.076 -10.692 10.578 1.00 0.00 C ATOM 151 C GLU A 11 -0.033 -9.984 9.216 1.00 0.00 C ATOM 152 O GLU A 11 0.775 -9.080 8.997 1.00 0.00 O ATOM 153 CB GLU A 11 -1.521 -10.788 11.086 1.00 0.00 C ATOM 154 CG GLU A 11 -2.239 -9.448 11.167 1.00 0.00 C ATOM 155 CD GLU A 11 -3.068 -9.300 12.429 1.00 0.00 C ATOM 156 OE1 GLU A 11 -4.022 -10.088 12.610 1.00 0.00 O ATOM 157 OE2 GLU A 11 -2.769 -8.395 13.235 1.00 0.00 O ATOM 0 H GLU A 11 0.256 -9.691 12.394 1.00 0.00 H new ATOM 0 HA GLU A 11 0.321 -11.698 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.083 -11.451 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.518 -11.247 12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.504 -8.644 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.886 -9.335 10.297 1.00 0.00 H new ATOM 164 N THR A 12 -0.909 -10.399 8.298 1.00 0.00 N ATOM 165 CA THR A 12 -0.955 -9.804 6.966 1.00 0.00 C ATOM 166 C THR A 12 -2.082 -8.778 6.863 1.00 0.00 C ATOM 167 O THR A 12 -3.250 -9.094 7.098 1.00 0.00 O ATOM 168 CB THR A 12 -1.139 -10.892 5.903 1.00 0.00 C ATOM 169 OG1 THR A 12 -0.216 -11.951 6.100 1.00 0.00 O ATOM 170 CG2 THR A 12 -0.958 -10.384 4.488 1.00 0.00 C ATOM 0 H THR A 12 -1.591 -11.141 8.454 1.00 0.00 H new ATOM 0 HA THR A 12 -0.008 -9.293 6.793 1.00 0.00 H new ATOM 0 HB THR A 12 -2.166 -11.237 6.020 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.352 -12.635 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.102 -11.205 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.689 -9.601 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.048 -9.980 4.372 1.00 0.00 H new ATOM 178 N SER A 13 -1.715 -7.546 6.513 1.00 0.00 N ATOM 179 CA SER A 13 -2.679 -6.457 6.381 1.00 0.00 C ATOM 180 C SER A 13 -2.655 -5.869 4.969 1.00 0.00 C ATOM 181 O SER A 13 -1.702 -6.078 4.215 1.00 0.00 O ATOM 182 CB SER A 13 -2.386 -5.360 7.409 1.00 0.00 C ATOM 183 OG SER A 13 -2.079 -5.916 8.679 1.00 0.00 O ATOM 0 H SER A 13 -0.751 -7.277 6.315 1.00 0.00 H new ATOM 0 HA SER A 13 -3.673 -6.864 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.551 -4.749 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.249 -4.700 7.497 1.00 0.00 H new ATOM 0 HG SER A 13 -1.894 -5.195 9.316 1.00 0.00 H new ATOM 189 N GLU A 14 -3.711 -5.134 4.618 1.00 0.00 N ATOM 190 CA GLU A 14 -3.812 -4.513 3.299 1.00 0.00 C ATOM 191 C GLU A 14 -3.444 -3.033 3.364 1.00 0.00 C ATOM 192 O GLU A 14 -3.831 -2.329 4.299 1.00 0.00 O ATOM 193 CB GLU A 14 -5.225 -4.678 2.733 1.00 0.00 C ATOM 194 CG GLU A 14 -5.648 -6.129 2.551 1.00 0.00 C ATOM 195 CD GLU A 14 -7.097 -6.363 2.928 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.979 -6.122 2.077 1.00 0.00 O ATOM 197 OE2 GLU A 14 -7.351 -6.787 4.076 1.00 0.00 O ATOM 0 H GLU A 14 -4.508 -4.955 5.229 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.107 -5.016 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.933 -4.184 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.283 -4.169 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.495 -6.421 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.010 -6.769 3.160 1.00 0.00 H new ATOM 204 N VAL A 15 -2.693 -2.572 2.366 1.00 0.00 N ATOM 205 CA VAL A 15 -2.265 -1.176 2.305 1.00 0.00 C ATOM 206 C VAL A 15 -2.528 -0.573 0.924 1.00 0.00 C ATOM 207 O VAL A 15 -2.514 -1.280 -0.082 1.00 0.00 O ATOM 208 CB VAL A 15 -0.767 -1.036 2.646 1.00 0.00 C ATOM 209 CG1 VAL A 15 -0.505 -1.461 4.082 1.00 0.00 C ATOM 210 CG2 VAL A 15 0.088 -1.845 1.680 1.00 0.00 C ATOM 0 H VAL A 15 -2.368 -3.146 1.588 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.851 -0.632 3.046 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.491 0.013 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.557 -1.356 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.082 -0.831 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.802 -2.502 4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.140 -1.730 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.189 -2.897 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.075 -1.487 0.663 1.00 0.00 H new ATOM 220 N ALA A 16 -2.766 0.737 0.884 1.00 0.00 N ATOM 221 CA ALA A 16 -3.035 1.430 -0.373 1.00 0.00 C ATOM 222 C ALA A 16 -1.741 1.825 -1.079 1.00 0.00 C ATOM 223 O ALA A 16 -0.875 2.472 -0.492 1.00 0.00 O ATOM 224 CB ALA A 16 -3.899 2.659 -0.128 1.00 0.00 C ATOM 0 H ALA A 16 -2.778 1.339 1.708 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.575 0.742 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.090 3.164 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.846 2.355 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.381 3.339 0.548 1.00 0.00 H new ATOM 230 N VAL A 17 -1.624 1.434 -2.347 1.00 0.00 N ATOM 231 CA VAL A 17 -0.439 1.748 -3.141 1.00 0.00 C ATOM 232 C VAL A 17 -0.797 2.535 -4.397 1.00 0.00 C ATOM 233 O VAL A 17 -1.796 2.249 -5.057 1.00 0.00 O ATOM 234 CB VAL A 17 0.327 0.474 -3.548 1.00 0.00 C ATOM 235 CG1 VAL A 17 1.136 -0.052 -2.372 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.624 -0.596 -4.070 1.00 0.00 C ATOM 0 H VAL A 17 -2.335 0.900 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 17 0.201 2.361 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 17 1.012 0.731 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.672 -0.952 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.851 0.707 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.465 -0.288 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.056 -1.483 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.342 -0.855 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.156 -0.216 -4.942 1.00 0.00 H new ATOM 246 N ASP A 18 0.034 3.527 -4.721 1.00 0.00 N ATOM 247 CA ASP A 18 -0.184 4.364 -5.902 1.00 0.00 C ATOM 248 C ASP A 18 0.020 3.575 -7.199 1.00 0.00 C ATOM 249 O ASP A 18 -0.490 3.964 -8.251 1.00 0.00 O ATOM 250 CB ASP A 18 0.753 5.574 -5.884 1.00 0.00 C ATOM 251 CG ASP A 18 0.468 6.520 -4.731 1.00 0.00 C ATOM 252 OD1 ASP A 18 0.942 6.248 -3.607 1.00 0.00 O ATOM 253 OD2 ASP A 18 -0.224 7.535 -4.955 1.00 0.00 O ATOM 0 H ASP A 18 0.865 3.771 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.218 4.707 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.785 5.228 -5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.658 6.116 -6.825 1.00 0.00 H new ATOM 258 N ASP A 19 0.768 2.470 -7.117 1.00 0.00 N ATOM 259 CA ASP A 19 1.045 1.626 -8.284 1.00 0.00 C ATOM 260 C ASP A 19 -0.243 1.232 -9.013 1.00 0.00 C ATOM 261 O ASP A 19 -0.258 1.114 -10.238 1.00 0.00 O ATOM 262 CB ASP A 19 1.798 0.362 -7.855 1.00 0.00 C ATOM 263 CG ASP A 19 3.305 0.537 -7.896 1.00 0.00 C ATOM 264 OD1 ASP A 19 3.907 0.264 -8.957 1.00 0.00 O ATOM 265 OD2 ASP A 19 3.883 0.943 -6.866 1.00 0.00 O ATOM 0 H ASP A 19 1.194 2.138 -6.252 1.00 0.00 H new ATOM 0 HA ASP A 19 1.662 2.206 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.495 0.089 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.514 -0.464 -8.507 1.00 0.00 H new ATOM 270 N ASP A 20 -1.319 1.022 -8.251 1.00 0.00 N ATOM 271 CA ASP A 20 -2.607 0.632 -8.828 1.00 0.00 C ATOM 272 C ASP A 20 -3.147 1.709 -9.769 1.00 0.00 C ATOM 273 O ASP A 20 -3.562 1.412 -10.890 1.00 0.00 O ATOM 274 CB ASP A 20 -3.633 0.348 -7.721 1.00 0.00 C ATOM 275 CG ASP A 20 -3.104 -0.559 -6.620 1.00 0.00 C ATOM 276 OD1 ASP A 20 -2.224 -1.399 -6.901 1.00 0.00 O ATOM 277 OD2 ASP A 20 -3.574 -0.428 -5.474 1.00 0.00 O ATOM 0 H ASP A 20 -1.324 1.115 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.443 -0.278 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.951 1.293 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.517 -0.110 -8.165 1.00 0.00 H new ATOM 282 N GLY A 21 -3.139 2.959 -9.306 1.00 0.00 N ATOM 283 CA GLY A 21 -3.631 4.061 -10.120 1.00 0.00 C ATOM 284 C GLY A 21 -5.150 4.198 -10.101 1.00 0.00 C ATOM 285 O GLY A 21 -5.736 4.706 -11.058 1.00 0.00 O ATOM 0 H GLY A 21 -2.801 3.228 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.185 4.991 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.299 3.919 -11.149 1.00 0.00 H new ATOM 289 N THR A 22 -5.791 3.742 -9.021 1.00 0.00 N ATOM 290 CA THR A 22 -7.250 3.819 -8.908 1.00 0.00 C ATOM 291 C THR A 22 -7.695 5.151 -8.299 1.00 0.00 C ATOM 292 O THR A 22 -6.868 5.975 -7.904 1.00 0.00 O ATOM 293 CB THR A 22 -7.791 2.657 -8.064 1.00 0.00 C ATOM 294 OG1 THR A 22 -7.283 2.708 -6.743 1.00 0.00 O ATOM 295 CG2 THR A 22 -7.458 1.291 -8.631 1.00 0.00 C ATOM 0 H THR A 22 -5.326 3.319 -8.218 1.00 0.00 H new ATOM 0 HA THR A 22 -7.658 3.749 -9.916 1.00 0.00 H new ATOM 0 HB THR A 22 -8.874 2.782 -8.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.993 2.472 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.871 0.518 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.887 1.197 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.376 1.175 -8.689 1.00 0.00 H new ATOM 303 N TYR A 23 -9.014 5.351 -8.222 1.00 0.00 N ATOM 304 CA TYR A 23 -9.579 6.576 -7.656 1.00 0.00 C ATOM 305 C TYR A 23 -9.155 6.750 -6.200 1.00 0.00 C ATOM 306 O TYR A 23 -8.864 7.863 -5.759 1.00 0.00 O ATOM 307 CB TYR A 23 -11.109 6.561 -7.750 1.00 0.00 C ATOM 308 CG TYR A 23 -11.634 6.548 -9.171 1.00 0.00 C ATOM 309 CD1 TYR A 23 -11.604 7.695 -9.955 1.00 0.00 C ATOM 310 CD2 TYR A 23 -12.162 5.389 -9.726 1.00 0.00 C ATOM 311 CE1 TYR A 23 -12.087 7.687 -11.251 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.644 5.372 -11.021 1.00 0.00 C ATOM 313 CZ TYR A 23 -12.605 6.522 -11.778 1.00 0.00 C ATOM 314 OH TYR A 23 -13.085 6.511 -13.067 1.00 0.00 O ATOM 0 H TYR A 23 -9.710 4.679 -8.545 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.196 7.416 -8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.487 5.684 -7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.504 7.436 -7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -11.197 8.608 -9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.196 4.486 -9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.059 8.587 -11.847 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.049 4.462 -11.437 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.414 5.614 -13.286 1.00 0.00 H new ATOM 324 N ALA A 24 -9.114 5.640 -5.456 1.00 0.00 N ATOM 325 CA ALA A 24 -8.715 5.669 -4.050 1.00 0.00 C ATOM 326 C ALA A 24 -7.291 6.202 -3.891 1.00 0.00 C ATOM 327 O ALA A 24 -6.985 6.898 -2.921 1.00 0.00 O ATOM 328 CB ALA A 24 -8.835 4.284 -3.432 1.00 0.00 C ATOM 0 H ALA A 24 -9.353 4.712 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.389 6.345 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.534 4.325 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.868 3.944 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.189 3.589 -3.968 1.00 0.00 H new ATOM 334 N ASP A 25 -6.426 5.868 -4.849 1.00 0.00 N ATOM 335 CA ASP A 25 -5.031 6.312 -4.824 1.00 0.00 C ATOM 336 C ASP A 25 -4.935 7.836 -4.878 1.00 0.00 C ATOM 337 O ASP A 25 -4.074 8.427 -4.230 1.00 0.00 O ATOM 338 CB ASP A 25 -4.250 5.689 -5.985 1.00 0.00 C ATOM 339 CG ASP A 25 -3.998 4.200 -5.798 1.00 0.00 C ATOM 340 OD1 ASP A 25 -4.325 3.663 -4.716 1.00 0.00 O ATOM 341 OD2 ASP A 25 -3.472 3.570 -6.734 1.00 0.00 O ATOM 0 H ASP A 25 -6.667 5.290 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.590 5.979 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.801 5.845 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.295 6.203 -6.091 1.00 0.00 H new ATOM 346 N LEU A 26 -5.824 8.469 -5.650 1.00 0.00 N ATOM 347 CA LEU A 26 -5.834 9.928 -5.771 1.00 0.00 C ATOM 348 C LEU A 26 -5.958 10.580 -4.393 1.00 0.00 C ATOM 349 O LEU A 26 -5.368 11.629 -4.138 1.00 0.00 O ATOM 350 CB LEU A 26 -6.992 10.382 -6.671 1.00 0.00 C ATOM 351 CG LEU A 26 -6.711 11.609 -7.550 1.00 0.00 C ATOM 352 CD1 LEU A 26 -6.580 12.867 -6.703 1.00 0.00 C ATOM 353 CD2 LEU A 26 -5.459 11.399 -8.392 1.00 0.00 C ATOM 0 H LEU A 26 -6.542 7.995 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.892 10.240 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.272 9.551 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.854 10.600 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.558 11.738 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.381 13.722 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.507 13.035 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.758 12.747 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.281 12.282 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.603 11.234 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.595 10.530 -9.036 1.00 0.00 H new ATOM 365 N VAL A 27 -6.721 9.941 -3.501 1.00 0.00 N ATOM 366 CA VAL A 27 -6.913 10.450 -2.145 1.00 0.00 C ATOM 367 C VAL A 27 -5.611 10.384 -1.351 1.00 0.00 C ATOM 368 O VAL A 27 -5.201 11.362 -0.725 1.00 0.00 O ATOM 369 CB VAL A 27 -8.003 9.657 -1.386 1.00 0.00 C ATOM 370 CG1 VAL A 27 -8.331 10.328 -0.061 1.00 0.00 C ATOM 371 CG2 VAL A 27 -9.256 9.505 -2.239 1.00 0.00 C ATOM 0 H VAL A 27 -7.215 9.070 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.234 11.487 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.614 8.661 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.100 9.754 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.434 10.372 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.695 11.339 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.008 8.944 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.649 10.491 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.009 8.971 -3.157 1.00 0.00 H new ATOM 381 N ARG A 28 -4.963 9.219 -1.385 1.00 0.00 N ATOM 382 CA ARG A 28 -3.702 9.015 -0.674 1.00 0.00 C ATOM 383 C ARG A 28 -2.586 9.867 -1.283 1.00 0.00 C ATOM 384 O ARG A 28 -1.721 10.369 -0.566 1.00 0.00 O ATOM 385 CB ARG A 28 -3.314 7.535 -0.696 1.00 0.00 C ATOM 386 CG ARG A 28 -3.869 6.739 0.476 1.00 0.00 C ATOM 387 CD ARG A 28 -5.342 6.414 0.286 1.00 0.00 C ATOM 388 NE ARG A 28 -6.069 6.375 1.556 1.00 0.00 N ATOM 389 CZ ARG A 28 -7.358 6.047 1.670 1.00 0.00 C ATOM 390 NH1 ARG A 28 -8.072 5.741 0.590 1.00 0.00 N ATOM 391 NH2 ARG A 28 -7.934 6.029 2.866 1.00 0.00 N ATOM 0 H ARG A 28 -5.292 8.401 -1.899 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.840 9.327 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.668 7.090 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.227 7.454 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.304 5.814 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.737 7.307 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.795 7.160 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.438 5.451 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.559 6.613 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.635 5.756 -0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.057 5.491 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.392 6.266 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.919 5.779 2.954 1.00 0.00 H new ATOM 405 N ALA A 29 -2.617 10.027 -2.610 1.00 0.00 N ATOM 406 CA ALA A 29 -1.612 10.820 -3.321 1.00 0.00 C ATOM 407 C ALA A 29 -1.524 12.249 -2.777 1.00 0.00 C ATOM 408 O ALA A 29 -0.485 12.900 -2.897 1.00 0.00 O ATOM 409 CB ALA A 29 -1.913 10.845 -4.814 1.00 0.00 C ATOM 0 H ALA A 29 -3.329 9.616 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.646 10.343 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.157 11.438 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.903 9.827 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.895 11.287 -4.980 1.00 0.00 H new ATOM 415 N VAL A 30 -2.613 12.731 -2.173 1.00 0.00 N ATOM 416 CA VAL A 30 -2.648 14.078 -1.608 1.00 0.00 C ATOM 417 C VAL A 30 -2.134 14.092 -0.158 1.00 0.00 C ATOM 418 O VAL A 30 -2.471 14.986 0.621 1.00 0.00 O ATOM 419 CB VAL A 30 -4.076 14.669 -1.662 1.00 0.00 C ATOM 420 CG1 VAL A 30 -4.060 16.159 -1.353 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.711 14.411 -3.022 1.00 0.00 C ATOM 0 H VAL A 30 -3.481 12.207 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.988 14.697 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.677 14.172 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.076 16.551 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.653 16.319 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.440 16.676 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.715 14.834 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.106 14.877 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.766 13.337 -3.200 1.00 0.00 H new ATOM 431 N ASP A 31 -1.316 13.093 0.200 1.00 0.00 N ATOM 432 CA ASP A 31 -0.756 12.987 1.550 1.00 0.00 C ATOM 433 C ASP A 31 -1.859 12.784 2.587 1.00 0.00 C ATOM 434 O ASP A 31 -1.893 13.460 3.618 1.00 0.00 O ATOM 435 CB ASP A 31 0.076 14.227 1.894 1.00 0.00 C ATOM 436 CG ASP A 31 1.127 14.539 0.846 1.00 0.00 C ATOM 437 OD1 ASP A 31 2.139 13.809 0.784 1.00 0.00 O ATOM 438 OD2 ASP A 31 0.940 15.513 0.088 1.00 0.00 O ATOM 0 H ASP A 31 -1.028 12.345 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.102 12.115 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.587 15.085 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.563 14.076 2.857 1.00 0.00 H new ATOM 443 N LEU A 32 -2.759 11.847 2.306 1.00 0.00 N ATOM 444 CA LEU A 32 -3.864 11.549 3.213 1.00 0.00 C ATOM 445 C LEU A 32 -4.012 10.038 3.408 1.00 0.00 C ATOM 446 O LEU A 32 -5.112 9.492 3.309 1.00 0.00 O ATOM 447 CB LEU A 32 -5.167 12.149 2.671 1.00 0.00 C ATOM 448 CG LEU A 32 -5.183 13.678 2.573 1.00 0.00 C ATOM 449 CD1 LEU A 32 -5.810 14.125 1.261 1.00 0.00 C ATOM 450 CD2 LEU A 32 -5.927 14.283 3.756 1.00 0.00 C ATOM 0 H LEU A 32 -2.746 11.281 1.458 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.647 11.997 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.356 11.734 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.990 11.832 3.312 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.153 14.033 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.812 15.214 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.234 13.724 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.835 13.757 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.928 15.369 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.954 13.919 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.432 13.994 4.683 1.00 0.00 H new ATOM 462 N SER A 33 -2.892 9.371 3.686 1.00 0.00 N ATOM 463 CA SER A 33 -2.888 7.928 3.897 1.00 0.00 C ATOM 464 C SER A 33 -2.926 7.594 5.388 1.00 0.00 C ATOM 465 O SER A 33 -2.059 8.027 6.147 1.00 0.00 O ATOM 466 CB SER A 33 -1.646 7.299 3.256 1.00 0.00 C ATOM 467 OG SER A 33 -1.460 7.768 1.930 1.00 0.00 O ATOM 0 H SER A 33 -1.975 9.810 3.770 1.00 0.00 H new ATOM 0 HA SER A 33 -3.781 7.517 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.766 7.534 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.747 6.214 3.250 1.00 0.00 H new ATOM 0 HG SER A 33 -0.660 7.352 1.545 1.00 0.00 H new ATOM 473 N PRO A 34 -3.935 6.815 5.829 1.00 0.00 N ATOM 474 CA PRO A 34 -4.078 6.423 7.235 1.00 0.00 C ATOM 475 C PRO A 34 -3.116 5.304 7.637 1.00 0.00 C ATOM 476 O PRO A 34 -2.735 5.194 8.804 1.00 0.00 O ATOM 477 CB PRO A 34 -5.526 5.939 7.312 1.00 0.00 C ATOM 478 CG PRO A 34 -5.818 5.414 5.949 1.00 0.00 C ATOM 479 CD PRO A 34 -5.015 6.253 4.989 1.00 0.00 C ATOM 0 HA PRO A 34 -3.846 7.244 7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.646 5.164 8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.202 6.752 7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.542 4.362 5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.883 5.481 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.615 5.653 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.622 7.039 4.540 1.00 0.00 H new ATOM 487 N HIS A 35 -2.731 4.470 6.666 1.00 0.00 N ATOM 488 CA HIS A 35 -1.818 3.359 6.926 1.00 0.00 C ATOM 489 C HIS A 35 -0.388 3.854 7.145 1.00 0.00 C ATOM 490 O HIS A 35 0.302 3.388 8.052 1.00 0.00 O ATOM 491 CB HIS A 35 -1.846 2.361 5.763 1.00 0.00 C ATOM 492 CG HIS A 35 -3.197 1.758 5.514 1.00 0.00 C ATOM 493 ND1 HIS A 35 -3.927 1.118 6.493 1.00 0.00 N ATOM 494 CD2 HIS A 35 -3.948 1.700 4.389 1.00 0.00 C ATOM 495 CE1 HIS A 35 -5.068 0.692 5.981 1.00 0.00 C ATOM 496 NE2 HIS A 35 -5.106 1.032 4.705 1.00 0.00 N ATOM 0 H HIS A 35 -3.038 4.545 5.696 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.153 2.862 7.836 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.511 2.865 4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.133 1.561 5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.685 2.104 3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.839 0.157 6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.870 0.831 4.060 1.00 0.00 H new ATOM 505 N GLU A 36 0.046 4.805 6.308 1.00 0.00 N ATOM 506 CA GLU A 36 1.393 5.372 6.402 1.00 0.00 C ATOM 507 C GLU A 36 2.447 4.272 6.556 1.00 0.00 C ATOM 508 O GLU A 36 3.173 4.225 7.552 1.00 0.00 O ATOM 509 CB GLU A 36 1.473 6.355 7.574 1.00 0.00 C ATOM 510 CG GLU A 36 0.816 7.696 7.288 1.00 0.00 C ATOM 511 CD GLU A 36 1.801 8.737 6.790 1.00 0.00 C ATOM 512 OE1 GLU A 36 2.113 8.727 5.580 1.00 0.00 O ATOM 513 OE2 GLU A 36 2.258 9.562 7.608 1.00 0.00 O ATOM 0 H GLU A 36 -0.520 5.198 5.556 1.00 0.00 H new ATOM 0 HA GLU A 36 1.600 5.908 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.999 5.906 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.520 6.519 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.031 7.560 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.336 8.061 8.196 1.00 0.00 H new ATOM 520 N VAL A 37 2.514 3.384 5.566 1.00 0.00 N ATOM 521 CA VAL A 37 3.470 2.276 5.587 1.00 0.00 C ATOM 522 C VAL A 37 4.350 2.276 4.338 1.00 0.00 C ATOM 523 O VAL A 37 3.915 2.686 3.260 1.00 0.00 O ATOM 524 CB VAL A 37 2.751 0.913 5.689 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.116 0.741 7.061 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.709 0.769 4.587 1.00 0.00 C ATOM 0 H VAL A 37 1.918 3.409 4.739 1.00 0.00 H new ATOM 0 HA VAL A 37 4.095 2.420 6.468 1.00 0.00 H new ATOM 0 HB VAL A 37 3.493 0.125 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.615 -0.226 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.889 0.790 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.389 1.536 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.215 -0.198 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.970 1.564 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.196 0.838 3.614 1.00 0.00 H new ATOM 536 N THR A 38 5.587 1.802 4.492 1.00 0.00 N ATOM 537 CA THR A 38 6.532 1.735 3.377 1.00 0.00 C ATOM 538 C THR A 38 6.327 0.448 2.580 1.00 0.00 C ATOM 539 O THR A 38 6.134 -0.623 3.159 1.00 0.00 O ATOM 540 CB THR A 38 7.980 1.811 3.881 1.00 0.00 C ATOM 541 OG1 THR A 38 8.052 1.577 5.280 1.00 0.00 O ATOM 542 CG2 THR A 38 8.642 3.146 3.600 1.00 0.00 C ATOM 0 H THR A 38 5.958 1.459 5.378 1.00 0.00 H new ATOM 0 HA THR A 38 6.345 2.590 2.727 1.00 0.00 H new ATOM 0 HB THR A 38 8.512 1.034 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.986 1.630 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.663 3.133 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.659 3.325 2.525 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.081 3.941 4.091 1.00 0.00 H new ATOM 550 N VAL A 39 6.361 0.559 1.253 1.00 0.00 N ATOM 551 CA VAL A 39 6.172 -0.599 0.383 1.00 0.00 C ATOM 552 C VAL A 39 7.481 -1.027 -0.277 1.00 0.00 C ATOM 553 O VAL A 39 8.193 -0.209 -0.863 1.00 0.00 O ATOM 554 CB VAL A 39 5.120 -0.319 -0.714 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.789 0.066 -0.088 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.602 0.764 -1.673 1.00 0.00 C ATOM 0 H VAL A 39 6.517 1.437 0.758 1.00 0.00 H new ATOM 0 HA VAL A 39 5.815 -1.408 1.020 1.00 0.00 H new ATOM 0 HB VAL A 39 4.978 -1.234 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.060 0.260 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.434 -0.749 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.917 0.964 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.842 0.940 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.782 1.686 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.527 0.441 -2.151 1.00 0.00 H new ATOM 566 N LEU A 40 7.787 -2.320 -0.180 1.00 0.00 N ATOM 567 CA LEU A 40 9.002 -2.872 -0.769 1.00 0.00 C ATOM 568 C LEU A 40 8.659 -3.901 -1.840 1.00 0.00 C ATOM 569 O LEU A 40 7.763 -4.725 -1.655 1.00 0.00 O ATOM 570 CB LEU A 40 9.874 -3.523 0.310 1.00 0.00 C ATOM 571 CG LEU A 40 10.984 -2.637 0.887 1.00 0.00 C ATOM 572 CD1 LEU A 40 11.858 -2.075 -0.225 1.00 0.00 C ATOM 573 CD2 LEU A 40 10.393 -1.511 1.727 1.00 0.00 C ATOM 0 H LEU A 40 7.207 -3.006 0.303 1.00 0.00 H new ATOM 0 HA LEU A 40 9.556 -2.054 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.229 -3.846 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.330 -4.420 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 40 11.609 -3.253 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.639 -1.449 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.315 -2.895 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.247 -1.477 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.198 -0.894 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.740 -0.898 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.817 -1.935 2.550 1.00 0.00 H new ATOM 585 N VAL A 41 9.385 -3.861 -2.952 1.00 0.00 N ATOM 586 CA VAL A 41 9.163 -4.797 -4.047 1.00 0.00 C ATOM 587 C VAL A 41 10.225 -5.886 -4.013 1.00 0.00 C ATOM 588 O VAL A 41 11.408 -5.601 -3.812 1.00 0.00 O ATOM 589 CB VAL A 41 9.192 -4.086 -5.421 1.00 0.00 C ATOM 590 CG1 VAL A 41 8.601 -4.980 -6.503 1.00 0.00 C ATOM 591 CG2 VAL A 41 8.447 -2.757 -5.361 1.00 0.00 C ATOM 0 H VAL A 41 10.134 -3.189 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 41 8.174 -5.236 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 41 10.233 -3.883 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.631 -4.461 -7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.181 -5.901 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.568 -5.220 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.481 -2.276 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.409 -2.934 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.918 -2.109 -4.621 1.00 0.00 H new ATOM 601 N ASP A 42 9.804 -7.137 -4.190 1.00 0.00 N ATOM 602 CA ASP A 42 10.730 -8.256 -4.156 1.00 0.00 C ATOM 603 C ASP A 42 11.742 -8.140 -5.283 1.00 0.00 C ATOM 604 O ASP A 42 11.378 -8.116 -6.458 1.00 0.00 O ATOM 605 CB ASP A 42 9.970 -9.585 -4.259 1.00 0.00 C ATOM 606 CG ASP A 42 9.173 -9.713 -5.544 1.00 0.00 C ATOM 607 OD1 ASP A 42 8.116 -9.056 -5.659 1.00 0.00 O ATOM 608 OD2 ASP A 42 9.604 -10.475 -6.437 1.00 0.00 O ATOM 0 H ASP A 42 8.832 -7.396 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 42 11.263 -8.234 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.680 -10.409 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.295 -9.678 -3.408 1.00 0.00 H new ATOM 613 N GLY A 43 13.013 -8.077 -4.895 1.00 0.00 N ATOM 614 CA GLY A 43 14.114 -7.961 -5.840 1.00 0.00 C ATOM 615 C GLY A 43 13.763 -7.270 -7.152 1.00 0.00 C ATOM 616 O GLY A 43 14.178 -7.723 -8.221 1.00 0.00 O ATOM 0 H GLY A 43 13.306 -8.105 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.927 -7.413 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.490 -8.960 -6.061 1.00 0.00 H new ATOM 759 N GLU A 53 -3.257 -4.322 -12.389 1.00 0.00 N ATOM 760 CA GLU A 53 -3.433 -3.015 -11.759 1.00 0.00 C ATOM 761 C GLU A 53 -3.082 -3.058 -10.266 1.00 0.00 C ATOM 762 O GLU A 53 -3.522 -2.200 -9.499 1.00 0.00 O ATOM 763 CB GLU A 53 -4.871 -2.510 -11.951 1.00 0.00 C ATOM 764 CG GLU A 53 -5.933 -3.397 -11.312 1.00 0.00 C ATOM 765 CD GLU A 53 -7.089 -3.691 -12.251 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.756 -2.732 -12.693 1.00 0.00 O ATOM 767 OE2 GLU A 53 -7.327 -4.882 -12.541 1.00 0.00 O ATOM 0 HA GLU A 53 -2.747 -2.322 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.951 -1.507 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.076 -2.427 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.477 -4.336 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.314 -2.912 -10.413 1.00 0.00 H new ATOM 774 N VAL A 54 -2.279 -4.050 -9.862 1.00 0.00 N ATOM 775 CA VAL A 54 -1.863 -4.187 -8.467 1.00 0.00 C ATOM 776 C VAL A 54 -0.532 -4.931 -8.360 1.00 0.00 C ATOM 777 O VAL A 54 -0.118 -5.621 -9.296 1.00 0.00 O ATOM 778 CB VAL A 54 -2.915 -4.927 -7.612 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.196 -4.115 -7.498 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.201 -6.307 -8.182 1.00 0.00 C ATOM 0 H VAL A 54 -1.906 -4.768 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.753 -3.173 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.505 -5.051 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.919 -4.660 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.978 -3.155 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.610 -3.947 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.945 -6.809 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.581 -6.209 -9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.282 -6.894 -8.193 1.00 0.00 H new ATOM 790 N ASP A 55 0.123 -4.796 -7.208 1.00 0.00 N ATOM 791 CA ASP A 55 1.406 -5.454 -6.961 1.00 0.00 C ATOM 792 C ASP A 55 1.551 -5.800 -5.479 1.00 0.00 C ATOM 793 O ASP A 55 1.055 -5.076 -4.616 1.00 0.00 O ATOM 794 CB ASP A 55 2.560 -4.548 -7.403 1.00 0.00 C ATOM 795 CG ASP A 55 3.150 -4.966 -8.736 1.00 0.00 C ATOM 796 OD1 ASP A 55 2.611 -4.548 -9.784 1.00 0.00 O ATOM 797 OD2 ASP A 55 4.154 -5.709 -8.737 1.00 0.00 O ATOM 0 H ASP A 55 -0.216 -4.234 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 55 1.439 -6.376 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.204 -3.520 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.341 -4.563 -6.643 1.00 0.00 H new ATOM 802 N ARG A 56 2.240 -6.902 -5.186 1.00 0.00 N ATOM 803 CA ARG A 56 2.444 -7.325 -3.801 1.00 0.00 C ATOM 804 C ARG A 56 3.781 -6.806 -3.280 1.00 0.00 C ATOM 805 O ARG A 56 4.828 -7.036 -3.888 1.00 0.00 O ATOM 806 CB ARG A 56 2.395 -8.853 -3.690 1.00 0.00 C ATOM 807 CG ARG A 56 2.205 -9.353 -2.264 1.00 0.00 C ATOM 808 CD ARG A 56 1.277 -10.556 -2.208 1.00 0.00 C ATOM 809 NE ARG A 56 1.113 -11.061 -0.843 1.00 0.00 N ATOM 810 CZ ARG A 56 2.004 -11.835 -0.215 1.00 0.00 C ATOM 811 NH1 ARG A 56 3.138 -12.188 -0.819 1.00 0.00 N ATOM 812 NH2 ARG A 56 1.763 -12.255 1.022 1.00 0.00 N ATOM 0 H ARG A 56 2.664 -7.514 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 56 1.641 -6.906 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.581 -9.228 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.319 -9.268 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.173 -9.620 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.798 -8.551 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.303 -10.281 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.673 -11.349 -2.843 1.00 0.00 H new ATOM 0 HE ARG A 56 0.264 -10.806 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.332 -11.867 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.812 -12.779 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.898 -11.987 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.442 -12.846 1.502 1.00 0.00 H new ATOM 826 N VAL A 57 3.734 -6.094 -2.155 1.00 0.00 N ATOM 827 CA VAL A 57 4.937 -5.523 -1.551 1.00 0.00 C ATOM 828 C VAL A 57 5.033 -5.856 -0.062 1.00 0.00 C ATOM 829 O VAL A 57 4.065 -6.317 0.546 1.00 0.00 O ATOM 830 CB VAL A 57 4.976 -3.987 -1.726 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.175 -3.615 -3.189 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.710 -3.347 -1.175 1.00 0.00 C ATOM 0 H VAL A 57 2.874 -5.899 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 57 5.787 -5.968 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 57 5.824 -3.604 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.199 -2.530 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.116 -4.033 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.352 -4.015 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.760 -2.266 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.843 -3.739 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.618 -3.577 -0.113 1.00 0.00 H new ATOM 842 N LYS A 58 6.209 -5.616 0.519 1.00 0.00 N ATOM 843 CA LYS A 58 6.439 -5.881 1.940 1.00 0.00 C ATOM 844 C LYS A 58 6.394 -4.582 2.743 1.00 0.00 C ATOM 845 O LYS A 58 6.959 -3.568 2.324 1.00 0.00 O ATOM 846 CB LYS A 58 7.793 -6.576 2.153 1.00 0.00 C ATOM 847 CG LYS A 58 8.252 -7.423 0.974 1.00 0.00 C ATOM 848 CD LYS A 58 8.879 -8.729 1.436 1.00 0.00 C ATOM 849 CE LYS A 58 9.265 -9.612 0.257 1.00 0.00 C ATOM 850 NZ LYS A 58 10.688 -9.422 -0.145 1.00 0.00 N ATOM 0 H LYS A 58 7.018 -5.238 0.027 1.00 0.00 H new ATOM 0 HA LYS A 58 5.646 -6.542 2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.549 -5.818 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.728 -7.209 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.402 -7.636 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.974 -6.862 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.763 -8.516 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.178 -9.263 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.099 -10.657 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.617 -9.388 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.907 -10.042 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.842 -8.431 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.309 -9.660 0.654 1.00 0.00 H new ATOM 864 N VAL A 59 5.723 -4.617 3.895 1.00 0.00 N ATOM 865 CA VAL A 59 5.611 -3.437 4.753 1.00 0.00 C ATOM 866 C VAL A 59 6.489 -3.562 5.996 1.00 0.00 C ATOM 867 O VAL A 59 6.574 -4.631 6.605 1.00 0.00 O ATOM 868 CB VAL A 59 4.152 -3.177 5.193 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.349 -2.559 4.059 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.493 -4.458 5.689 1.00 0.00 C ATOM 0 H VAL A 59 5.250 -5.446 4.254 1.00 0.00 H new ATOM 0 HA VAL A 59 5.953 -2.594 4.153 1.00 0.00 H new ATOM 0 HB VAL A 59 4.172 -2.469 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.325 -2.385 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.802 -1.612 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.343 -3.237 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.468 -4.246 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.489 -5.199 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.050 -4.847 6.541 1.00 0.00 H new ATOM 880 N LEU A 60 7.139 -2.459 6.368 1.00 0.00 N ATOM 881 CA LEU A 60 8.010 -2.437 7.540 1.00 0.00 C ATOM 882 C LEU A 60 7.484 -1.462 8.592 1.00 0.00 C ATOM 883 O LEU A 60 7.330 -0.269 8.322 1.00 0.00 O ATOM 884 CB LEU A 60 9.437 -2.051 7.135 1.00 0.00 C ATOM 885 CG LEU A 60 10.546 -2.875 7.793 1.00 0.00 C ATOM 886 CD1 LEU A 60 11.880 -2.626 7.104 1.00 0.00 C ATOM 887 CD2 LEU A 60 10.642 -2.552 9.278 1.00 0.00 C ATOM 0 H LEU A 60 7.078 -1.569 5.873 1.00 0.00 H new ATOM 0 HA LEU A 60 8.021 -3.437 7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.529 -2.146 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.595 -1.000 7.377 1.00 0.00 H new ATOM 0 HG LEU A 60 10.298 -3.931 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.655 -3.221 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.806 -2.909 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.136 -1.569 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.436 -3.147 9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.865 -1.493 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.694 -2.784 9.763 1.00 0.00 H new ATOM 899 N ARG A 61 7.208 -1.975 9.790 1.00 0.00 N ATOM 900 CA ARG A 61 6.697 -1.145 10.879 1.00 0.00 C ATOM 901 C ARG A 61 7.437 -1.430 12.188 1.00 0.00 C ATOM 902 O ARG A 61 8.077 -0.540 12.751 1.00 0.00 O ATOM 903 CB ARG A 61 5.195 -1.379 11.064 1.00 0.00 C ATOM 904 CG ARG A 61 4.424 -0.126 11.453 1.00 0.00 C ATOM 905 CD ARG A 61 3.908 0.616 10.231 1.00 0.00 C ATOM 906 NE ARG A 61 3.146 1.812 10.594 1.00 0.00 N ATOM 907 CZ ARG A 61 3.700 2.973 10.952 1.00 0.00 C ATOM 908 NH1 ARG A 61 5.024 3.100 11.011 1.00 0.00 N ATOM 909 NH2 ARG A 61 2.928 4.012 11.255 1.00 0.00 N ATOM 0 H ARG A 61 7.329 -2.959 10.030 1.00 0.00 H new ATOM 0 HA ARG A 61 6.867 -0.102 10.613 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.781 -1.776 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.046 -2.139 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.586 -0.398 12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.069 0.533 12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.749 0.901 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.277 -0.050 9.642 1.00 0.00 H new ATOM 0 HE ARG A 61 2.128 1.755 10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.623 2.307 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.439 3.990 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.913 3.922 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.351 4.899 11.529 1.00 0.00 H new