USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 456 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 29 SER OG : rot 74:sc= 0.745 USER MOD Set 1.2: A 32 THR OG1 : rot 137:sc= 1.59 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 SER OG : rot -27:sc= 0.0995 USER MOD Set 2.3: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 22 SER OG : rot 102:sc= 0.505 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0694 (180deg=-0.84) USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= -0.134 (180deg=-0.87) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -3.68 K(o=-3.7,f=-6.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -7:sc= 0.0108 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.605 F(o=-1.3,f=-0.6) USER MOD Single : A 33 LYS NZ :NH3+ -136:sc= 0.265 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 61:sc= 1.16 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -5.38! (180deg=-7.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0665 (180deg=-0.598) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.358 K(o=-0.36,f=-1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00135) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.479 14.066 -8.558 1.00 1.00 N ATOM 2 CA MET A 1 -2.965 13.548 -9.868 1.00 1.00 C ATOM 3 C MET A 1 -2.018 12.464 -10.347 1.00 1.00 C ATOM 4 O MET A 1 -2.427 11.476 -10.956 1.00 1.00 O ATOM 5 CB MET A 1 -3.000 14.706 -10.887 1.00 1.00 C ATOM 6 CG MET A 1 -4.017 15.762 -10.438 1.00 1.00 C ATOM 7 SD MET A 1 -4.053 17.110 -11.642 1.00 1.00 S ATOM 8 CE MET A 1 -5.064 18.241 -10.659 1.00 1.00 C ATOM 0 H1 MET A 1 -3.259 14.542 -8.062 1.00 1.00 H new ATOM 0 H2 MET A 1 -2.132 13.275 -7.979 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.706 14.743 -8.718 1.00 1.00 H new ATOM 0 HA MET A 1 -3.968 13.133 -9.763 1.00 1.00 H new ATOM 0 HB2 MET A 1 -2.011 15.155 -10.975 1.00 1.00 H new ATOM 0 HB3 MET A 1 -3.267 14.327 -11.873 1.00 1.00 H new ATOM 0 HG2 MET A 1 -5.007 15.314 -10.347 1.00 1.00 H new ATOM 0 HG3 MET A 1 -3.749 16.146 -9.454 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.221 19.165 -11.215 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.027 17.777 -10.447 1.00 1.00 H new ATOM 0 HE3 MET A 1 -4.554 18.464 -9.722 1.00 1.00 H new ATOM 20 N LYS A 2 -0.734 12.660 -10.066 1.00 1.00 N ATOM 21 CA LYS A 2 0.288 11.700 -10.477 1.00 1.00 C ATOM 22 C LYS A 2 0.080 10.370 -9.755 1.00 1.00 C ATOM 23 O LYS A 2 -0.412 10.323 -8.628 1.00 1.00 O ATOM 24 CB LYS A 2 1.691 12.258 -10.160 1.00 1.00 C ATOM 25 CG LYS A 2 2.803 11.367 -10.790 1.00 1.00 C ATOM 26 CD LYS A 2 4.231 11.952 -10.534 1.00 1.00 C ATOM 27 CE LYS A 2 4.677 11.753 -9.065 1.00 1.00 C ATOM 28 NZ LYS A 2 4.619 10.304 -8.734 1.00 1.00 N ATOM 0 H LYS A 2 -0.376 13.469 -9.559 1.00 1.00 H new ATOM 0 HA LYS A 2 0.205 11.534 -11.551 1.00 1.00 H new ATOM 0 HB2 LYS A 2 1.776 13.276 -10.541 1.00 1.00 H new ATOM 0 HB3 LYS A 2 1.830 12.310 -9.080 1.00 1.00 H new ATOM 0 HG2 LYS A 2 2.742 10.361 -10.374 1.00 1.00 H new ATOM 0 HG3 LYS A 2 2.633 11.279 -11.863 1.00 1.00 H new ATOM 0 HD2 LYS A 2 4.947 11.470 -11.200 1.00 1.00 H new ATOM 0 HD3 LYS A 2 4.237 13.015 -10.775 1.00 1.00 H new ATOM 0 HE2 LYS A 2 5.690 12.131 -8.924 1.00 1.00 H new ATOM 0 HE3 LYS A 2 4.030 12.319 -8.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 5.432 10.051 -8.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 3.737 10.100 -8.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 4.647 9.746 -9.611 1.00 1.00 H new ATOM 42 N THR A 3 0.451 9.286 -10.428 1.00 1.00 N ATOM 43 CA THR A 3 0.314 7.932 -9.863 1.00 1.00 C ATOM 44 C THR A 3 1.684 7.266 -9.732 1.00 1.00 C ATOM 45 O THR A 3 2.576 7.452 -10.561 1.00 1.00 O ATOM 46 CB THR A 3 -0.589 7.088 -10.781 1.00 1.00 C ATOM 47 OG1 THR A 3 0.061 6.908 -12.030 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.937 7.810 -10.997 1.00 1.00 C ATOM 0 H THR A 3 0.850 9.310 -11.366 1.00 1.00 H new ATOM 0 HA THR A 3 -0.133 8.004 -8.871 1.00 1.00 H new ATOM 0 HB THR A 3 -0.776 6.119 -10.319 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.507 6.370 -12.620 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.572 7.208 -11.647 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.432 7.951 -10.036 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.760 8.781 -11.460 1.00 1.00 H new ATOM 56 N GLY A 4 1.832 6.476 -8.675 1.00 1.00 N ATOM 57 CA GLY A 4 3.094 5.762 -8.400 1.00 1.00 C ATOM 58 C GLY A 4 3.005 4.335 -8.907 1.00 1.00 C ATOM 59 O GLY A 4 1.918 3.765 -9.010 1.00 1.00 O ATOM 0 H GLY A 4 1.098 6.307 -7.987 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.925 6.277 -8.882 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.296 5.764 -7.329 1.00 1.00 H new ATOM 63 N ILE A 5 4.159 3.754 -9.217 1.00 1.00 N ATOM 64 CA ILE A 5 4.210 2.363 -9.722 1.00 1.00 C ATOM 65 C ILE A 5 4.739 1.438 -8.623 1.00 1.00 C ATOM 66 O ILE A 5 5.821 1.651 -8.075 1.00 1.00 O ATOM 67 CB ILE A 5 5.125 2.275 -10.975 1.00 1.00 C ATOM 68 CG1 ILE A 5 4.629 3.297 -12.057 1.00 1.00 C ATOM 69 CG2 ILE A 5 5.101 0.823 -11.556 1.00 1.00 C ATOM 70 CD1 ILE A 5 5.632 3.393 -13.220 1.00 1.00 C ATOM 0 H ILE A 5 5.069 4.208 -9.133 1.00 1.00 H new ATOM 0 HA ILE A 5 3.204 2.052 -10.004 1.00 1.00 H new ATOM 0 HB ILE A 5 6.149 2.520 -10.692 1.00 1.00 H new ATOM 0 HG12 ILE A 5 3.655 2.988 -12.436 1.00 1.00 H new ATOM 0 HG13 ILE A 5 4.497 4.279 -11.603 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.745 0.772 -12.434 1.00 1.00 H new ATOM 0 HG22 ILE A 5 5.460 0.123 -10.801 1.00 1.00 H new ATOM 0 HG23 ILE A 5 4.081 0.561 -11.838 1.00 1.00 H new ATOM 0 HD11 ILE A 5 5.267 4.107 -13.958 1.00 1.00 H new ATOM 0 HD12 ILE A 5 6.598 3.725 -12.841 1.00 1.00 H new ATOM 0 HD13 ILE A 5 5.743 2.414 -13.687 1.00 1.00 H new ATOM 82 N VAL A 6 3.966 0.400 -8.319 1.00 1.00 N ATOM 83 CA VAL A 6 4.359 -0.561 -7.296 1.00 1.00 C ATOM 84 C VAL A 6 5.469 -1.466 -7.844 1.00 1.00 C ATOM 85 O VAL A 6 5.376 -1.989 -8.954 1.00 1.00 O ATOM 86 CB VAL A 6 3.133 -1.413 -6.874 1.00 1.00 C ATOM 87 CG1 VAL A 6 3.510 -2.380 -5.717 1.00 1.00 C ATOM 88 CG2 VAL A 6 1.986 -0.477 -6.424 1.00 1.00 C ATOM 0 H VAL A 6 3.069 0.204 -8.764 1.00 1.00 H new ATOM 0 HA VAL A 6 4.732 -0.028 -6.422 1.00 1.00 H new ATOM 0 HB VAL A 6 2.807 -2.008 -7.727 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.637 -2.969 -5.436 1.00 1.00 H new ATOM 0 HG12 VAL A 6 4.307 -3.047 -6.046 1.00 1.00 H new ATOM 0 HG13 VAL A 6 3.851 -1.803 -4.857 1.00 1.00 H new ATOM 0 HG21 VAL A 6 1.124 -1.074 -6.127 1.00 1.00 H new ATOM 0 HG22 VAL A 6 2.318 0.125 -5.579 1.00 1.00 H new ATOM 0 HG23 VAL A 6 1.706 0.178 -7.249 1.00 1.00 H new ATOM 98 N ASN A 7 6.511 -1.654 -7.039 1.00 1.00 N ATOM 99 CA ASN A 7 7.631 -2.509 -7.441 1.00 1.00 C ATOM 100 C ASN A 7 7.145 -3.951 -7.654 1.00 1.00 C ATOM 101 O ASN A 7 6.814 -4.655 -6.701 1.00 1.00 O ATOM 102 CB ASN A 7 8.714 -2.483 -6.353 1.00 1.00 C ATOM 103 CG ASN A 7 9.224 -1.058 -6.158 1.00 1.00 C ATOM 104 OD1 ASN A 7 8.526 -0.224 -5.581 1.00 1.00 O ATOM 105 ND2 ASN A 7 10.398 -0.729 -6.612 1.00 1.00 N ATOM 0 H ASN A 7 6.606 -1.233 -6.115 1.00 1.00 H new ATOM 0 HA ASN A 7 8.047 -2.135 -8.376 1.00 1.00 H new ATOM 0 HB2 ASN A 7 8.309 -2.864 -5.416 1.00 1.00 H new ATOM 0 HB3 ASN A 7 9.539 -3.138 -6.634 1.00 1.00 H new ATOM 0 HD21 ASN A 7 10.743 0.223 -6.490 1.00 1.00 H new ATOM 0 HD22 ASN A 7 10.973 -1.423 -7.089 1.00 1.00 H new ATOM 112 N VAL A 8 7.115 -4.377 -8.914 1.00 1.00 N ATOM 113 CA VAL A 8 6.679 -5.741 -9.246 1.00 1.00 C ATOM 114 C VAL A 8 7.508 -6.765 -8.482 1.00 1.00 C ATOM 115 O VAL A 8 7.107 -7.919 -8.340 1.00 1.00 O ATOM 116 CB VAL A 8 6.804 -5.986 -10.774 1.00 1.00 C ATOM 117 CG1 VAL A 8 8.271 -5.750 -11.231 1.00 1.00 C ATOM 118 CG2 VAL A 8 6.344 -7.441 -11.146 1.00 1.00 C ATOM 0 H VAL A 8 7.383 -3.809 -9.718 1.00 1.00 H new ATOM 0 HA VAL A 8 5.634 -5.852 -8.955 1.00 1.00 H new ATOM 0 HB VAL A 8 6.153 -5.282 -11.292 1.00 1.00 H new ATOM 0 HG11 VAL A 8 8.350 -5.924 -12.304 1.00 1.00 H new ATOM 0 HG12 VAL A 8 8.561 -4.723 -11.007 1.00 1.00 H new ATOM 0 HG13 VAL A 8 8.932 -6.437 -10.702 1.00 1.00 H new ATOM 0 HG21 VAL A 8 6.440 -7.589 -12.222 1.00 1.00 H new ATOM 0 HG22 VAL A 8 6.968 -8.165 -10.622 1.00 1.00 H new ATOM 0 HG23 VAL A 8 5.303 -7.580 -10.853 1.00 1.00 H new ATOM 128 N SER A 9 8.672 -6.337 -8.003 1.00 1.00 N ATOM 129 CA SER A 9 9.565 -7.220 -7.266 1.00 1.00 C ATOM 130 C SER A 9 8.812 -7.911 -6.126 1.00 1.00 C ATOM 131 O SER A 9 8.497 -7.292 -5.110 1.00 1.00 O ATOM 132 CB SER A 9 10.753 -6.425 -6.700 1.00 1.00 C ATOM 133 OG SER A 9 11.453 -5.813 -7.770 1.00 1.00 O ATOM 0 H SER A 9 9.018 -5.384 -8.113 1.00 1.00 H new ATOM 0 HA SER A 9 9.941 -7.980 -7.952 1.00 1.00 H new ATOM 0 HB2 SER A 9 10.400 -5.668 -6.000 1.00 1.00 H new ATOM 0 HB3 SER A 9 11.418 -7.087 -6.145 1.00 1.00 H new ATOM 0 HG SER A 9 12.211 -5.303 -7.416 1.00 1.00 H new ATOM 139 N SER A 10 8.527 -9.195 -6.309 1.00 1.00 N ATOM 140 CA SER A 10 7.809 -9.987 -5.302 1.00 1.00 C ATOM 141 C SER A 10 6.408 -9.384 -5.038 1.00 1.00 C ATOM 142 O SER A 10 5.603 -9.223 -5.955 1.00 1.00 O ATOM 143 CB SER A 10 8.648 -10.064 -3.993 1.00 1.00 C ATOM 144 OG SER A 10 8.683 -8.787 -3.357 1.00 1.00 O ATOM 0 H SER A 10 8.781 -9.717 -7.148 1.00 1.00 H new ATOM 0 HA SER A 10 7.667 -11.000 -5.677 1.00 1.00 H new ATOM 0 HB2 SER A 10 8.216 -10.803 -3.318 1.00 1.00 H new ATOM 0 HB3 SER A 10 9.662 -10.394 -4.220 1.00 1.00 H new ATOM 0 HG SER A 10 8.271 -8.118 -3.943 1.00 1.00 H new ATOM 150 N SER A 11 6.151 -9.040 -3.779 1.00 1.00 N ATOM 151 CA SER A 11 4.861 -8.451 -3.399 1.00 1.00 C ATOM 152 C SER A 11 5.034 -7.556 -2.187 1.00 1.00 C ATOM 153 O SER A 11 5.980 -7.701 -1.413 1.00 1.00 O ATOM 154 CB SER A 11 3.849 -9.555 -3.089 1.00 1.00 C ATOM 155 OG SER A 11 2.620 -8.956 -2.710 1.00 1.00 O ATOM 0 H SER A 11 6.809 -9.156 -3.008 1.00 1.00 H new ATOM 0 HA SER A 11 4.490 -7.854 -4.232 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.705 -10.191 -3.962 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.221 -10.193 -2.287 1.00 1.00 H new ATOM 0 HG SER A 11 1.963 -9.655 -2.511 1.00 1.00 H new ATOM 161 N LEU A 12 4.110 -6.612 -2.031 1.00 1.00 N ATOM 162 CA LEU A 12 4.142 -5.659 -0.900 1.00 1.00 C ATOM 163 C LEU A 12 3.095 -6.039 0.143 1.00 1.00 C ATOM 164 O LEU A 12 1.955 -6.376 -0.175 1.00 1.00 O ATOM 165 CB LEU A 12 3.917 -4.216 -1.430 1.00 1.00 C ATOM 166 CG LEU A 12 5.278 -3.565 -1.899 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.258 -3.298 -0.675 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.952 -4.458 -3.015 1.00 1.00 C ATOM 0 H LEU A 12 3.325 -6.478 -2.668 1.00 1.00 H new ATOM 0 HA LEU A 12 5.118 -5.700 -0.417 1.00 1.00 H new ATOM 0 HB2 LEU A 12 3.214 -4.236 -2.263 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.468 -3.604 -0.648 1.00 1.00 H new ATOM 0 HG LEU A 12 5.060 -2.589 -2.333 1.00 1.00 H new ATOM 0 HD11 LEU A 12 7.182 -2.850 -1.040 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.780 -2.620 0.032 1.00 1.00 H new ATOM 0 HD13 LEU A 12 6.484 -4.241 -0.177 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.889 -4.000 -3.331 1.00 1.00 H new ATOM 0 HD22 LEU A 12 6.151 -5.452 -2.615 1.00 1.00 H new ATOM 0 HD23 LEU A 12 5.281 -4.539 -3.870 1.00 1.00 H new ATOM 180 N ASN A 13 3.506 -5.977 1.407 1.00 1.00 N ATOM 181 CA ASN A 13 2.635 -6.315 2.531 1.00 1.00 C ATOM 182 C ASN A 13 1.942 -5.049 3.030 1.00 1.00 C ATOM 183 O ASN A 13 2.559 -4.001 3.218 1.00 1.00 O ATOM 184 CB ASN A 13 3.490 -6.925 3.658 1.00 1.00 C ATOM 185 CG ASN A 13 4.192 -8.187 3.156 1.00 1.00 C ATOM 186 OD1 ASN A 13 3.530 -9.158 2.787 1.00 1.00 O ATOM 187 ND2 ASN A 13 5.495 -8.228 3.108 1.00 1.00 N ATOM 0 H ASN A 13 4.447 -5.693 1.681 1.00 1.00 H new ATOM 0 HA ASN A 13 1.879 -7.035 2.217 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.228 -6.199 3.999 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.860 -7.165 4.514 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.967 -9.065 2.765 1.00 1.00 H new ATOM 0 HD22 ASN A 13 6.042 -7.423 3.414 1.00 1.00 H new ATOM 194 N VAL A 14 0.636 -5.170 3.250 1.00 1.00 N ATOM 195 CA VAL A 14 -0.146 -4.020 3.725 1.00 1.00 C ATOM 196 C VAL A 14 -0.217 -4.051 5.250 1.00 1.00 C ATOM 197 O VAL A 14 -0.945 -4.853 5.834 1.00 1.00 O ATOM 198 CB VAL A 14 -1.563 -4.066 3.114 1.00 1.00 C ATOM 199 CG1 VAL A 14 -2.400 -2.836 3.566 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.459 -4.077 1.572 1.00 1.00 C ATOM 0 H VAL A 14 0.102 -6.028 3.113 1.00 1.00 H new ATOM 0 HA VAL A 14 0.335 -3.093 3.414 1.00 1.00 H new ATOM 0 HB VAL A 14 -2.060 -4.972 3.460 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -3.394 -2.890 3.123 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.486 -2.834 4.653 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.907 -1.920 3.240 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.459 -4.110 1.140 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.948 -3.175 1.235 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.897 -4.954 1.251 1.00 1.00 H new ATOM 210 N ARG A 15 0.539 -3.162 5.886 1.00 1.00 N ATOM 211 CA ARG A 15 0.551 -3.077 7.342 1.00 1.00 C ATOM 212 C ARG A 15 -0.652 -2.271 7.826 1.00 1.00 C ATOM 213 O ARG A 15 -1.122 -1.350 7.155 1.00 1.00 O ATOM 214 CB ARG A 15 1.857 -2.398 7.791 1.00 1.00 C ATOM 215 CG ARG A 15 3.067 -3.298 7.445 1.00 1.00 C ATOM 216 CD ARG A 15 4.377 -2.624 7.876 1.00 1.00 C ATOM 217 NE ARG A 15 5.514 -3.470 7.506 1.00 1.00 N ATOM 218 CZ ARG A 15 5.790 -4.621 8.136 1.00 1.00 C ATOM 219 NH1 ARG A 15 5.048 -5.025 9.139 1.00 1.00 N ATOM 220 NH2 ARG A 15 6.823 -5.325 7.771 1.00 1.00 N ATOM 0 H ARG A 15 1.149 -2.492 5.418 1.00 1.00 H new ATOM 0 HA ARG A 15 0.493 -4.078 7.770 1.00 1.00 H new ATOM 0 HB2 ARG A 15 1.961 -1.430 7.300 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.828 -2.210 8.864 1.00 1.00 H new ATOM 0 HG2 ARG A 15 2.966 -4.262 7.944 1.00 1.00 H new ATOM 0 HG3 ARG A 15 3.087 -3.494 6.373 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.468 -1.648 7.400 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.373 -2.455 8.953 1.00 1.00 H new ATOM 0 HE ARG A 15 6.119 -3.172 6.740 1.00 1.00 H new ATOM 0 HH11 ARG A 15 4.254 -4.462 9.445 1.00 1.00 H new ATOM 0 HH12 ARG A 15 5.265 -5.902 9.613 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.418 -5.000 7.009 1.00 1.00 H new ATOM 0 HH22 ARG A 15 7.037 -6.201 8.247 1.00 1.00 H new ATOM 234 N SER A 16 -1.142 -2.625 9.010 1.00 1.00 N ATOM 235 CA SER A 16 -2.295 -1.933 9.595 1.00 1.00 C ATOM 236 C SER A 16 -1.879 -0.547 10.087 1.00 1.00 C ATOM 237 O SER A 16 -2.721 0.328 10.286 1.00 1.00 O ATOM 238 CB SER A 16 -2.844 -2.757 10.765 1.00 1.00 C ATOM 239 OG SER A 16 -1.837 -2.875 11.759 1.00 1.00 O ATOM 0 H SER A 16 -0.765 -3.380 9.583 1.00 1.00 H new ATOM 0 HA SER A 16 -3.069 -1.819 8.836 1.00 1.00 H new ATOM 0 HB2 SER A 16 -3.730 -2.277 11.181 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.150 -3.745 10.419 1.00 1.00 H new ATOM 0 HG SER A 16 -2.181 -3.399 12.512 1.00 1.00 H new ATOM 245 N SER A 17 -0.578 -0.358 10.286 1.00 1.00 N ATOM 246 CA SER A 17 -0.045 0.929 10.768 1.00 1.00 C ATOM 247 C SER A 17 1.455 1.031 10.496 1.00 1.00 C ATOM 248 O SER A 17 2.091 0.070 10.064 1.00 1.00 O ATOM 249 CB SER A 17 -0.298 1.060 12.273 1.00 1.00 C ATOM 250 OG SER A 17 0.492 0.103 12.964 1.00 1.00 O ATOM 0 H SER A 17 0.132 -1.073 10.124 1.00 1.00 H new ATOM 0 HA SER A 17 -0.553 1.733 10.235 1.00 1.00 H new ATOM 0 HB2 SER A 17 -0.049 2.066 12.610 1.00 1.00 H new ATOM 0 HB3 SER A 17 -1.354 0.903 12.491 1.00 1.00 H new ATOM 0 HG SER A 17 0.669 -0.661 12.376 1.00 1.00 H new ATOM 256 N ALA A 18 2.011 2.210 10.756 1.00 1.00 N ATOM 257 CA ALA A 18 3.450 2.450 10.543 1.00 1.00 C ATOM 258 C ALA A 18 4.284 1.702 11.601 1.00 1.00 C ATOM 259 O ALA A 18 5.070 2.301 12.334 1.00 1.00 O ATOM 260 CB ALA A 18 3.735 3.970 10.601 1.00 1.00 C ATOM 0 H ALA A 18 1.497 3.016 11.113 1.00 1.00 H new ATOM 0 HA ALA A 18 3.733 2.072 9.561 1.00 1.00 H new ATOM 0 HB1 ALA A 18 4.799 4.147 10.444 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.164 4.477 9.823 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.443 4.358 11.577 1.00 1.00 H new ATOM 266 N SER A 19 4.100 0.387 11.656 1.00 1.00 N ATOM 267 CA SER A 19 4.830 -0.466 12.622 1.00 1.00 C ATOM 268 C SER A 19 5.168 -1.822 11.992 1.00 1.00 C ATOM 269 O SER A 19 4.307 -2.493 11.423 1.00 1.00 O ATOM 270 CB SER A 19 3.973 -0.666 13.882 1.00 1.00 C ATOM 271 OG SER A 19 3.720 0.604 14.467 1.00 1.00 O ATOM 0 H SER A 19 3.456 -0.122 11.050 1.00 1.00 H new ATOM 0 HA SER A 19 5.763 0.027 12.896 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.035 -1.158 13.627 1.00 1.00 H new ATOM 0 HB3 SER A 19 4.489 -1.313 14.591 1.00 1.00 H new ATOM 0 HG SER A 19 3.172 0.490 15.272 1.00 1.00 H new ATOM 277 N THR A 20 6.431 -2.218 12.113 1.00 1.00 N ATOM 278 CA THR A 20 6.885 -3.496 11.552 1.00 1.00 C ATOM 279 C THR A 20 6.208 -4.661 12.275 1.00 1.00 C ATOM 280 O THR A 20 6.037 -5.743 11.712 1.00 1.00 O ATOM 281 CB THR A 20 8.411 -3.609 11.686 1.00 1.00 C ATOM 282 OG1 THR A 20 8.749 -3.600 13.064 1.00 1.00 O ATOM 283 CG2 THR A 20 9.095 -2.418 10.985 1.00 1.00 C ATOM 0 H THR A 20 7.156 -1.682 12.589 1.00 1.00 H new ATOM 0 HA THR A 20 6.615 -3.536 10.497 1.00 1.00 H new ATOM 0 HB THR A 20 8.749 -4.534 11.220 1.00 1.00 H new ATOM 0 HG1 THR A 20 9.721 -3.673 13.163 1.00 1.00 H new ATOM 0 HG21 THR A 20 10.177 -2.508 11.086 1.00 1.00 H new ATOM 0 HG22 THR A 20 8.828 -2.416 9.928 1.00 1.00 H new ATOM 0 HG23 THR A 20 8.764 -1.487 11.444 1.00 1.00 H new ATOM 291 N SER A 21 5.824 -4.428 13.526 1.00 1.00 N ATOM 292 CA SER A 21 5.156 -5.456 14.333 1.00 1.00 C ATOM 293 C SER A 21 3.739 -5.694 13.818 1.00 1.00 C ATOM 294 O SER A 21 3.062 -6.621 14.265 1.00 1.00 O ATOM 295 CB SER A 21 5.113 -5.013 15.808 1.00 1.00 C ATOM 296 OG SER A 21 6.442 -4.822 16.270 1.00 1.00 O ATOM 0 H SER A 21 5.961 -3.539 14.007 1.00 1.00 H new ATOM 0 HA SER A 21 5.717 -6.387 14.254 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.543 -4.089 15.908 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.608 -5.766 16.413 1.00 1.00 H new ATOM 0 HG SER A 21 6.425 -4.538 17.208 1.00 1.00 H new ATOM 302 N SER A 22 3.296 -4.859 12.883 1.00 1.00 N ATOM 303 CA SER A 22 1.951 -4.992 12.314 1.00 1.00 C ATOM 304 C SER A 22 1.852 -6.286 11.499 1.00 1.00 C ATOM 305 O SER A 22 2.710 -6.589 10.671 1.00 1.00 O ATOM 306 CB SER A 22 1.639 -3.794 11.411 1.00 1.00 C ATOM 307 OG SER A 22 1.684 -2.601 12.177 1.00 1.00 O ATOM 0 H SER A 22 3.842 -4.086 12.502 1.00 1.00 H new ATOM 0 HA SER A 22 1.229 -5.023 13.130 1.00 1.00 H new ATOM 0 HB2 SER A 22 2.360 -3.742 10.595 1.00 1.00 H new ATOM 0 HB3 SER A 22 0.654 -3.912 10.959 1.00 1.00 H new ATOM 0 HG SER A 22 2.534 -2.140 12.015 1.00 1.00 H new ATOM 313 N LYS A 23 0.785 -7.040 11.745 1.00 1.00 N ATOM 314 CA LYS A 23 0.564 -8.298 11.037 1.00 1.00 C ATOM 315 C LYS A 23 0.157 -8.024 9.599 1.00 1.00 C ATOM 316 O LYS A 23 -0.128 -6.888 9.222 1.00 1.00 O ATOM 317 CB LYS A 23 -0.544 -9.099 11.740 1.00 1.00 C ATOM 318 CG LYS A 23 -0.108 -9.435 13.183 1.00 1.00 C ATOM 319 CD LYS A 23 -1.206 -10.249 13.895 1.00 1.00 C ATOM 320 CE LYS A 23 -0.769 -10.586 15.328 1.00 1.00 C ATOM 321 NZ LYS A 23 -1.846 -11.370 15.985 1.00 1.00 N ATOM 0 H LYS A 23 0.063 -6.804 12.426 1.00 1.00 H new ATOM 0 HA LYS A 23 1.490 -8.874 11.042 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -1.469 -8.523 11.754 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -0.748 -10.017 11.189 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.823 -10.002 13.167 1.00 1.00 H new ATOM 0 HG3 LYS A 23 0.089 -8.516 13.735 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -2.136 -9.681 13.914 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.405 -11.167 13.342 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.159 -11.157 15.315 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.573 -9.671 15.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.561 -11.604 16.957 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.721 -10.808 16.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -2.011 -12.247 15.452 1.00 1.00 H new ATOM 335 N VAL A 24 0.136 -9.081 8.792 1.00 1.00 N ATOM 336 CA VAL A 24 -0.243 -8.964 7.381 1.00 1.00 C ATOM 337 C VAL A 24 -1.757 -9.167 7.232 1.00 1.00 C ATOM 338 O VAL A 24 -2.288 -10.258 7.435 1.00 1.00 O ATOM 339 CB VAL A 24 0.529 -10.011 6.531 1.00 1.00 C ATOM 340 CG1 VAL A 24 0.283 -9.760 5.016 1.00 1.00 C ATOM 341 CG2 VAL A 24 2.046 -9.906 6.839 1.00 1.00 C ATOM 0 H VAL A 24 0.376 -10.028 9.087 1.00 1.00 H new ATOM 0 HA VAL A 24 0.017 -7.968 7.023 1.00 1.00 H new ATOM 0 HB VAL A 24 0.172 -11.009 6.784 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.829 -10.500 4.431 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.783 -9.843 4.802 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.630 -8.761 4.752 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.590 -10.640 6.244 1.00 1.00 H new ATOM 0 HG22 VAL A 24 2.399 -8.905 6.592 1.00 1.00 H new ATOM 0 HG23 VAL A 24 2.217 -10.100 7.898 1.00 1.00 H new ATOM 351 N ILE A 25 -2.437 -8.089 6.854 1.00 1.00 N ATOM 352 CA ILE A 25 -3.892 -8.133 6.664 1.00 1.00 C ATOM 353 C ILE A 25 -4.215 -8.628 5.251 1.00 1.00 C ATOM 354 O ILE A 25 -5.279 -9.198 5.010 1.00 1.00 O ATOM 355 CB ILE A 25 -4.483 -6.709 6.890 1.00 1.00 C ATOM 356 CG1 ILE A 25 -3.899 -5.672 5.817 1.00 1.00 C ATOM 357 CG2 ILE A 25 -4.151 -6.250 8.342 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.926 -5.373 4.707 1.00 1.00 C ATOM 0 H ILE A 25 -2.013 -7.179 6.673 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.337 -8.821 7.383 1.00 1.00 H new ATOM 0 HB ILE A 25 -5.564 -6.740 6.758 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -3.622 -4.744 6.318 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -2.990 -6.078 5.374 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -4.560 -5.254 8.511 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.591 -6.949 9.054 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.070 -6.226 8.478 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -4.498 -4.666 3.996 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.182 -6.298 4.190 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -5.825 -4.943 5.149 1.00 1.00 H new ATOM 370 N GLY A 26 -3.293 -8.393 4.322 1.00 1.00 N ATOM 371 CA GLY A 26 -3.480 -8.802 2.928 1.00 1.00 C ATOM 372 C GLY A 26 -2.366 -8.273 2.041 1.00 1.00 C ATOM 373 O GLY A 26 -1.381 -7.713 2.525 1.00 1.00 O ATOM 0 H GLY A 26 -2.408 -7.921 4.506 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -3.510 -9.890 2.867 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.441 -8.436 2.566 1.00 1.00 H new ATOM 377 N SER A 27 -2.530 -8.445 0.733 1.00 1.00 N ATOM 378 CA SER A 27 -1.537 -7.966 -0.243 1.00 1.00 C ATOM 379 C SER A 27 -2.211 -7.648 -1.579 1.00 1.00 C ATOM 380 O SER A 27 -3.165 -8.304 -1.999 1.00 1.00 O ATOM 381 CB SER A 27 -0.454 -9.022 -0.460 1.00 1.00 C ATOM 382 OG SER A 27 -1.039 -10.143 -1.092 1.00 1.00 O ATOM 0 H SER A 27 -3.337 -8.911 0.318 1.00 1.00 H new ATOM 0 HA SER A 27 -1.081 -7.058 0.153 1.00 1.00 H new ATOM 0 HB2 SER A 27 0.351 -8.618 -1.074 1.00 1.00 H new ATOM 0 HB3 SER A 27 -0.012 -9.313 0.493 1.00 1.00 H new ATOM 0 HG SER A 27 -0.355 -10.829 -1.240 1.00 1.00 H new ATOM 388 N LEU A 28 -1.693 -6.618 -2.243 1.00 1.00 N ATOM 389 CA LEU A 28 -2.241 -6.181 -3.550 1.00 1.00 C ATOM 390 C LEU A 28 -1.334 -6.680 -4.668 1.00 1.00 C ATOM 391 O LEU A 28 -0.337 -7.365 -4.439 1.00 1.00 O ATOM 392 CB LEU A 28 -2.319 -4.619 -3.602 1.00 1.00 C ATOM 393 CG LEU A 28 -0.922 -3.949 -3.198 1.00 1.00 C ATOM 394 CD1 LEU A 28 -0.596 -2.739 -4.113 1.00 1.00 C ATOM 395 CD2 LEU A 28 -0.954 -3.492 -1.715 1.00 1.00 C ATOM 0 H LEU A 28 -0.901 -6.066 -1.912 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.243 -6.593 -3.675 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -2.600 -4.301 -4.606 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -3.100 -4.270 -2.927 1.00 1.00 H new ATOM 0 HG LEU A 28 -0.141 -4.699 -3.328 1.00 1.00 H new ATOM 0 HD11 LEU A 28 0.358 -2.304 -3.815 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -0.535 -3.072 -5.149 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -1.382 -1.989 -4.018 1.00 1.00 H new ATOM 0 HD21 LEU A 28 0.002 -3.038 -1.453 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -1.752 -2.763 -1.576 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -1.134 -4.354 -1.073 1.00 1.00 H new ATOM 407 N SER A 29 -1.709 -6.336 -5.895 1.00 1.00 N ATOM 408 CA SER A 29 -0.939 -6.750 -7.076 1.00 1.00 C ATOM 409 C SER A 29 0.094 -5.688 -7.429 1.00 1.00 C ATOM 410 O SER A 29 -0.148 -4.488 -7.290 1.00 1.00 O ATOM 411 CB SER A 29 -1.892 -6.960 -8.262 1.00 1.00 C ATOM 412 OG SER A 29 -2.503 -5.729 -8.599 1.00 1.00 O ATOM 0 H SER A 29 -2.535 -5.775 -6.104 1.00 1.00 H new ATOM 0 HA SER A 29 -0.422 -7.684 -6.854 1.00 1.00 H new ATOM 0 HB2 SER A 29 -1.343 -7.352 -9.118 1.00 1.00 H new ATOM 0 HB3 SER A 29 -2.652 -7.698 -8.005 1.00 1.00 H new ATOM 0 HG SER A 29 -1.854 -5.156 -9.058 1.00 1.00 H new ATOM 418 N GLY A 30 1.250 -6.142 -7.905 1.00 1.00 N ATOM 419 CA GLY A 30 2.327 -5.234 -8.293 1.00 1.00 C ATOM 420 C GLY A 30 2.000 -4.568 -9.619 1.00 1.00 C ATOM 421 O GLY A 30 1.199 -5.074 -10.404 1.00 1.00 O ATOM 0 H GLY A 30 1.466 -7.131 -8.031 1.00 1.00 H new ATOM 0 HA2 GLY A 30 2.469 -4.476 -7.522 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.264 -5.784 -8.375 1.00 1.00 H new ATOM 425 N ASN A 31 2.630 -3.424 -9.864 1.00 1.00 N ATOM 426 CA ASN A 31 2.409 -2.665 -11.115 1.00 1.00 C ATOM 427 C ASN A 31 1.001 -2.063 -11.135 1.00 1.00 C ATOM 428 O ASN A 31 0.470 -1.741 -12.198 1.00 1.00 O ATOM 429 CB ASN A 31 2.631 -3.564 -12.377 1.00 1.00 C ATOM 430 CG ASN A 31 2.722 -2.730 -13.649 1.00 1.00 C ATOM 431 OD1 ASN A 31 1.648 -2.556 -14.373 1.00 1.00 O flip ATOM 432 ND2 ASN A 31 3.791 -2.226 -13.989 1.00 1.00 N flip ATOM 0 H ASN A 31 3.297 -2.994 -9.223 1.00 1.00 H new ATOM 0 HA ASN A 31 3.140 -1.857 -11.145 1.00 1.00 H new ATOM 0 HB2 ASN A 31 3.546 -4.144 -12.255 1.00 1.00 H new ATOM 0 HB3 ASN A 31 1.811 -4.277 -12.466 1.00 1.00 H new ATOM 0 HD21 ASN A 31 4.625 -2.366 -13.419 1.00 1.00 H new ATOM 0 HD22 ASN A 31 3.844 -1.668 -14.841 1.00 1.00 H new ATOM 439 N THR A 32 0.401 -1.927 -9.956 1.00 1.00 N ATOM 440 CA THR A 32 -0.960 -1.361 -9.844 1.00 1.00 C ATOM 441 C THR A 32 -0.895 0.167 -9.696 1.00 1.00 C ATOM 442 O THR A 32 -0.069 0.706 -8.958 1.00 1.00 O ATOM 443 CB THR A 32 -1.703 -1.978 -8.641 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.751 -3.381 -8.824 1.00 1.00 O ATOM 445 CG2 THR A 32 -3.156 -1.445 -8.530 1.00 1.00 C ATOM 0 H THR A 32 0.822 -2.195 -9.067 1.00 1.00 H new ATOM 0 HA THR A 32 -1.508 -1.602 -10.755 1.00 1.00 H new ATOM 0 HB THR A 32 -1.171 -1.708 -7.729 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.546 -3.829 -7.977 1.00 1.00 H new ATOM 0 HG21 THR A 32 -3.647 -1.903 -7.671 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.138 -0.363 -8.403 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.706 -1.695 -9.438 1.00 1.00 H new ATOM 453 N LYS A 33 -1.782 0.851 -10.412 1.00 1.00 N ATOM 454 CA LYS A 33 -1.840 2.320 -10.366 1.00 1.00 C ATOM 455 C LYS A 33 -2.733 2.766 -9.214 1.00 1.00 C ATOM 456 O LYS A 33 -3.737 2.136 -8.884 1.00 1.00 O ATOM 457 CB LYS A 33 -2.397 2.868 -11.720 1.00 1.00 C ATOM 458 CG LYS A 33 -1.277 2.981 -12.791 1.00 1.00 C ATOM 459 CD LYS A 33 -0.655 1.597 -13.096 1.00 1.00 C ATOM 460 CE LYS A 33 0.343 1.705 -14.254 1.00 1.00 C ATOM 461 NZ LYS A 33 0.922 0.358 -14.499 1.00 1.00 N ATOM 0 H LYS A 33 -2.470 0.420 -11.030 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.836 2.715 -10.209 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -3.185 2.209 -12.084 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.849 3.847 -11.560 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -1.687 3.409 -13.706 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.502 3.662 -12.440 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.152 1.213 -12.208 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.441 0.886 -13.350 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -0.155 2.073 -15.151 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.131 2.418 -14.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 1.950 0.441 -14.636 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.730 -0.256 -13.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 0.492 -0.055 -15.351 1.00 1.00 H new ATOM 475 N VAL A 34 -2.340 3.877 -8.599 1.00 1.00 N ATOM 476 CA VAL A 34 -3.079 4.434 -7.482 1.00 1.00 C ATOM 477 C VAL A 34 -2.836 5.940 -7.400 1.00 1.00 C ATOM 478 O VAL A 34 -1.708 6.412 -7.541 1.00 1.00 O ATOM 479 CB VAL A 34 -2.643 3.725 -6.172 1.00 1.00 C ATOM 480 CG1 VAL A 34 -1.103 3.811 -5.990 1.00 1.00 C ATOM 481 CG2 VAL A 34 -3.376 4.350 -4.945 1.00 1.00 C ATOM 0 H VAL A 34 -1.509 4.408 -8.860 1.00 1.00 H new ATOM 0 HA VAL A 34 -4.147 4.271 -7.626 1.00 1.00 H new ATOM 0 HB VAL A 34 -2.920 2.673 -6.241 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -0.817 3.308 -5.066 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -0.609 3.328 -6.833 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -0.800 4.857 -5.943 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -3.059 3.842 -4.034 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -3.129 5.409 -4.874 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -4.453 4.236 -5.068 1.00 1.00 H new ATOM 491 N THR A 35 -3.904 6.684 -7.135 1.00 1.00 N ATOM 492 CA THR A 35 -3.808 8.134 -7.001 1.00 1.00 C ATOM 493 C THR A 35 -3.346 8.487 -5.598 1.00 1.00 C ATOM 494 O THR A 35 -4.149 8.787 -4.716 1.00 1.00 O ATOM 495 CB THR A 35 -5.177 8.773 -7.267 1.00 1.00 C ATOM 496 OG1 THR A 35 -6.088 8.311 -6.281 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.686 8.377 -8.668 1.00 1.00 C ATOM 0 H THR A 35 -4.844 6.309 -7.009 1.00 1.00 H new ATOM 0 HA THR A 35 -3.088 8.513 -7.726 1.00 1.00 H new ATOM 0 HB THR A 35 -5.091 9.859 -7.223 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.777 8.587 -5.393 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.658 8.837 -8.845 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.979 8.721 -9.423 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.781 7.293 -8.728 1.00 1.00 H new ATOM 505 N ILE A 36 -2.031 8.464 -5.402 1.00 1.00 N ATOM 506 CA ILE A 36 -1.444 8.801 -4.080 1.00 1.00 C ATOM 507 C ILE A 36 -2.144 10.033 -3.486 1.00 1.00 C ATOM 508 O ILE A 36 -2.786 10.804 -4.198 1.00 1.00 O ATOM 509 CB ILE A 36 0.082 9.082 -4.218 1.00 1.00 C ATOM 510 CG1 ILE A 36 0.815 7.802 -4.761 1.00 1.00 C ATOM 511 CG2 ILE A 36 0.706 9.532 -2.843 1.00 1.00 C ATOM 512 CD1 ILE A 36 2.263 8.144 -5.169 1.00 1.00 C ATOM 0 H ILE A 36 -1.349 8.221 -6.120 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.589 7.951 -3.414 1.00 1.00 H new ATOM 0 HB ILE A 36 0.217 9.899 -4.927 1.00 1.00 H new ATOM 0 HG12 ILE A 36 0.820 7.026 -3.996 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.274 7.401 -5.618 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.772 9.721 -2.972 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.215 10.443 -2.501 1.00 1.00 H new ATOM 0 HG23 ILE A 36 0.564 8.744 -2.104 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.757 7.247 -5.543 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.251 8.904 -5.950 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.805 8.523 -4.303 1.00 1.00 H new ATOM 524 N VAL A 37 -2.018 10.195 -2.173 1.00 1.00 N ATOM 525 CA VAL A 37 -2.643 11.330 -1.475 1.00 1.00 C ATOM 526 C VAL A 37 -1.571 12.125 -0.717 1.00 1.00 C ATOM 527 O VAL A 37 -0.965 13.050 -1.259 1.00 1.00 O ATOM 528 CB VAL A 37 -3.747 10.795 -0.510 1.00 1.00 C ATOM 529 CG1 VAL A 37 -4.496 11.975 0.165 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.746 9.910 -1.304 1.00 1.00 C ATOM 0 H VAL A 37 -1.494 9.563 -1.568 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.112 12.002 -2.194 1.00 1.00 H new ATOM 0 HB VAL A 37 -3.277 10.196 0.270 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.262 11.584 0.834 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -3.788 12.577 0.735 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.964 12.594 -0.600 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.517 9.537 -0.630 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -5.210 10.503 -2.093 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.214 9.069 -1.748 1.00 1.00 H new ATOM 540 N GLY A 38 -1.374 11.772 0.549 1.00 1.00 N ATOM 541 CA GLY A 38 -0.399 12.440 1.416 1.00 1.00 C ATOM 542 C GLY A 38 0.712 11.490 1.810 1.00 1.00 C ATOM 543 O GLY A 38 0.976 10.479 1.158 1.00 1.00 O ATOM 0 H GLY A 38 -1.883 11.016 1.006 1.00 1.00 H new ATOM 0 HA2 GLY A 38 0.021 13.304 0.900 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -0.897 12.814 2.310 1.00 1.00 H new ATOM 547 N GLU A 39 1.383 11.842 2.904 1.00 1.00 N ATOM 548 CA GLU A 39 2.497 11.038 3.418 1.00 1.00 C ATOM 549 C GLU A 39 2.506 11.046 4.947 1.00 1.00 C ATOM 550 O GLU A 39 2.122 12.030 5.579 1.00 1.00 O ATOM 551 CB GLU A 39 3.815 11.619 2.864 1.00 1.00 C ATOM 552 CG GLU A 39 4.056 13.093 3.380 1.00 1.00 C ATOM 553 CD GLU A 39 4.710 13.095 4.773 1.00 1.00 C ATOM 554 OE1 GLU A 39 5.790 12.540 4.893 1.00 1.00 O ATOM 555 OE2 GLU A 39 4.119 13.641 5.693 1.00 1.00 O ATOM 0 H GLU A 39 1.178 12.677 3.453 1.00 1.00 H new ATOM 0 HA GLU A 39 2.385 10.003 3.095 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.649 10.985 3.165 1.00 1.00 H new ATOM 0 HB3 GLU A 39 3.788 11.613 1.774 1.00 1.00 H new ATOM 0 HG2 GLU A 39 4.693 13.628 2.676 1.00 1.00 H new ATOM 0 HG3 GLU A 39 3.107 13.627 3.420 1.00 1.00 H new ATOM 562 N GLU A 40 2.956 9.941 5.531 1.00 1.00 N ATOM 563 CA GLU A 40 3.025 9.839 6.996 1.00 1.00 C ATOM 564 C GLU A 40 4.096 8.827 7.409 1.00 1.00 C ATOM 565 O GLU A 40 4.052 7.671 6.986 1.00 1.00 O ATOM 566 CB GLU A 40 1.649 9.433 7.557 1.00 1.00 C ATOM 567 CG GLU A 40 1.654 9.465 9.106 1.00 1.00 C ATOM 568 CD GLU A 40 0.270 9.108 9.652 1.00 1.00 C ATOM 569 OE1 GLU A 40 -0.684 9.744 9.237 1.00 1.00 O ATOM 570 OE2 GLU A 40 0.186 8.209 10.474 1.00 1.00 O ATOM 0 H GLU A 40 3.275 9.113 5.029 1.00 1.00 H new ATOM 0 HA GLU A 40 3.298 10.811 7.408 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.883 10.109 7.177 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.391 8.432 7.210 1.00 1.00 H new ATOM 0 HG2 GLU A 40 2.395 8.763 9.488 1.00 1.00 H new ATOM 0 HG3 GLU A 40 1.945 10.456 9.455 1.00 1.00 H new ATOM 577 N GLY A 41 5.043 9.259 8.236 1.00 1.00 N ATOM 578 CA GLY A 41 6.110 8.377 8.696 1.00 1.00 C ATOM 579 C GLY A 41 6.825 7.712 7.515 1.00 1.00 C ATOM 580 O GLY A 41 6.902 8.279 6.425 1.00 1.00 O ATOM 0 H GLY A 41 5.093 10.210 8.600 1.00 1.00 H new ATOM 0 HA2 GLY A 41 6.828 8.947 9.285 1.00 1.00 H new ATOM 0 HA3 GLY A 41 5.696 7.611 9.352 1.00 1.00 H new ATOM 584 N ALA A 42 7.341 6.507 7.741 1.00 1.00 N ATOM 585 CA ALA A 42 8.041 5.761 6.682 1.00 1.00 C ATOM 586 C ALA A 42 7.033 4.986 5.828 1.00 1.00 C ATOM 587 O ALA A 42 7.363 3.924 5.299 1.00 1.00 O ATOM 588 CB ALA A 42 9.066 4.784 7.289 1.00 1.00 C ATOM 0 H ALA A 42 7.292 6.024 8.638 1.00 1.00 H new ATOM 0 HA ALA A 42 8.570 6.477 6.054 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.571 4.243 6.489 1.00 1.00 H new ATOM 0 HB2 ALA A 42 9.800 5.342 7.870 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.552 4.075 7.938 1.00 1.00 H new ATOM 594 N PHE A 43 5.820 5.513 5.699 1.00 1.00 N ATOM 595 CA PHE A 43 4.760 4.860 4.904 1.00 1.00 C ATOM 596 C PHE A 43 3.883 5.901 4.228 1.00 1.00 C ATOM 597 O PHE A 43 3.742 7.031 4.694 1.00 1.00 O ATOM 598 CB PHE A 43 3.888 3.974 5.808 1.00 1.00 C ATOM 599 CG PHE A 43 4.787 2.957 6.520 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.396 3.291 7.741 1.00 1.00 C ATOM 601 CD2 PHE A 43 5.017 1.685 5.959 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.218 2.368 8.396 1.00 1.00 C ATOM 603 CE2 PHE A 43 5.841 0.763 6.618 1.00 1.00 C ATOM 604 CZ PHE A 43 6.439 1.103 7.839 1.00 1.00 C ATOM 0 H PHE A 43 5.536 6.392 6.132 1.00 1.00 H new ATOM 0 HA PHE A 43 5.237 4.244 4.142 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.359 4.586 6.538 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.132 3.459 5.215 1.00 1.00 H new ATOM 0 HD1 PHE A 43 5.229 4.265 8.176 1.00 1.00 H new ATOM 0 HD2 PHE A 43 4.557 1.420 5.019 1.00 1.00 H new ATOM 0 HE1 PHE A 43 6.683 2.632 9.334 1.00 1.00 H new ATOM 0 HE2 PHE A 43 6.015 -0.211 6.185 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.069 0.390 8.349 1.00 1.00 H new ATOM 614 N TYR A 44 3.291 5.499 3.108 1.00 1.00 N ATOM 615 CA TYR A 44 2.392 6.370 2.319 1.00 1.00 C ATOM 616 C TYR A 44 0.945 5.879 2.438 1.00 1.00 C ATOM 617 O TYR A 44 0.659 4.692 2.592 1.00 1.00 O ATOM 618 CB TYR A 44 2.857 6.390 0.825 1.00 1.00 C ATOM 619 CG TYR A 44 3.681 7.667 0.522 1.00 1.00 C ATOM 620 CD1 TYR A 44 4.704 8.080 1.392 1.00 1.00 C ATOM 621 CD2 TYR A 44 3.393 8.446 -0.610 1.00 1.00 C ATOM 622 CE1 TYR A 44 5.426 9.247 1.124 1.00 1.00 C ATOM 623 CE2 TYR A 44 4.109 9.616 -0.867 1.00 1.00 C ATOM 624 CZ TYR A 44 5.126 10.012 0.000 1.00 1.00 C ATOM 625 OH TYR A 44 5.830 11.163 -0.254 1.00 1.00 O ATOM 0 H TYR A 44 3.413 4.566 2.713 1.00 1.00 H new ATOM 0 HA TYR A 44 2.437 7.387 2.709 1.00 1.00 H new ATOM 0 HB2 TYR A 44 3.458 5.505 0.615 1.00 1.00 H new ATOM 0 HB3 TYR A 44 1.988 6.348 0.168 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.933 7.495 2.270 1.00 1.00 H new ATOM 0 HD2 TYR A 44 2.611 8.137 -1.288 1.00 1.00 H new ATOM 0 HE1 TYR A 44 6.218 9.556 1.790 1.00 1.00 H new ATOM 0 HE2 TYR A 44 3.876 10.213 -1.736 1.00 1.00 H new ATOM 0 HH TYR A 44 5.496 11.576 -1.077 1.00 1.00 H new ATOM 635 N LYS A 45 0.029 6.840 2.363 1.00 1.00 N ATOM 636 CA LYS A 45 -1.396 6.553 2.464 1.00 1.00 C ATOM 637 C LYS A 45 -1.947 6.231 1.087 1.00 1.00 C ATOM 638 O LYS A 45 -1.582 6.826 0.073 1.00 1.00 O ATOM 639 CB LYS A 45 -2.126 7.780 3.018 1.00 1.00 C ATOM 640 CG LYS A 45 -1.578 8.144 4.415 1.00 1.00 C ATOM 641 CD LYS A 45 -2.396 9.313 5.050 1.00 1.00 C ATOM 642 CE LYS A 45 -2.178 10.650 4.293 1.00 1.00 C ATOM 643 NZ LYS A 45 -0.720 10.905 4.182 1.00 1.00 N ATOM 0 H LYS A 45 0.250 7.827 2.232 1.00 1.00 H new ATOM 0 HA LYS A 45 -1.546 5.703 3.129 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -2.000 8.624 2.339 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -3.195 7.578 3.081 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -1.621 7.270 5.065 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -0.529 8.431 4.335 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -3.456 9.060 5.042 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -2.105 9.435 6.093 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -2.629 10.600 3.302 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -2.665 11.468 4.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -0.559 11.905 3.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -0.259 10.685 5.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -0.318 10.304 3.434 1.00 1.00 H new ATOM 657 N ILE A 46 -2.842 5.247 1.065 1.00 1.00 N ATOM 658 CA ILE A 46 -3.445 4.812 -0.182 1.00 1.00 C ATOM 659 C ILE A 46 -4.849 4.292 0.082 1.00 1.00 C ATOM 660 O ILE A 46 -5.276 4.156 1.229 1.00 1.00 O ATOM 661 CB ILE A 46 -2.565 3.721 -0.847 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.347 2.536 0.149 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.178 4.303 -1.292 1.00 1.00 C ATOM 664 CD1 ILE A 46 -1.651 1.355 -0.534 1.00 1.00 C ATOM 0 H ILE A 46 -3.161 4.742 1.892 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.512 5.657 -0.867 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.084 3.362 -1.736 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -1.748 2.874 0.994 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.308 2.213 0.549 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.584 3.515 -1.754 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.335 5.108 -2.010 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -0.650 4.691 -0.421 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -1.514 0.548 0.185 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.264 1.002 -1.363 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -0.679 1.674 -0.911 1.00 1.00 H new ATOM 676 N GLU A 47 -5.564 3.988 -0.996 1.00 1.00 N ATOM 677 CA GLU A 47 -6.924 3.455 -0.880 1.00 1.00 C ATOM 678 C GLU A 47 -7.204 2.476 -2.012 1.00 1.00 C ATOM 679 O GLU A 47 -7.371 2.868 -3.168 1.00 1.00 O ATOM 680 CB GLU A 47 -7.946 4.613 -0.921 1.00 1.00 C ATOM 681 CG GLU A 47 -9.365 4.093 -0.594 1.00 1.00 C ATOM 682 CD GLU A 47 -10.366 5.244 -0.609 1.00 1.00 C ATOM 683 OE1 GLU A 47 -10.764 5.637 -1.688 1.00 1.00 O ATOM 684 OE2 GLU A 47 -10.710 5.717 0.464 1.00 1.00 O ATOM 0 H GLU A 47 -5.232 4.099 -1.954 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.017 2.929 0.070 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -7.660 5.384 -0.205 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -7.940 5.077 -1.908 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -9.659 3.336 -1.321 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -9.367 3.612 0.384 1.00 1.00 H new ATOM 691 N TYR A 48 -7.264 1.194 -1.665 1.00 1.00 N ATOM 692 CA TYR A 48 -7.531 0.139 -2.646 1.00 1.00 C ATOM 693 C TYR A 48 -8.482 -0.896 -2.055 1.00 1.00 C ATOM 694 O TYR A 48 -8.654 -0.989 -0.839 1.00 1.00 O ATOM 695 CB TYR A 48 -6.204 -0.513 -3.084 1.00 1.00 C ATOM 696 CG TYR A 48 -6.454 -1.451 -4.283 1.00 1.00 C ATOM 697 CD1 TYR A 48 -6.770 -0.893 -5.538 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.398 -2.856 -4.146 1.00 1.00 C ATOM 699 CE1 TYR A 48 -7.029 -1.728 -6.636 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.654 -3.681 -5.254 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.970 -3.114 -6.491 1.00 1.00 C ATOM 702 OH TYR A 48 -7.220 -3.932 -7.569 1.00 1.00 O ATOM 0 H TYR A 48 -7.132 0.857 -0.711 1.00 1.00 H new ATOM 0 HA TYR A 48 -8.008 0.573 -3.525 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.482 0.257 -3.357 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.773 -1.074 -2.255 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -6.813 0.180 -5.655 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.158 -3.296 -3.189 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -7.274 -1.296 -7.595 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.606 -4.755 -5.149 1.00 1.00 H new ATOM 0 HH TYR A 48 -7.136 -4.869 -7.295 1.00 1.00 H new ATOM 712 N LYS A 49 -9.085 -1.689 -2.935 1.00 1.00 N ATOM 713 CA LYS A 49 -10.015 -2.725 -2.527 1.00 1.00 C ATOM 714 C LYS A 49 -11.207 -2.121 -1.749 1.00 1.00 C ATOM 715 O LYS A 49 -11.923 -2.832 -1.044 1.00 1.00 O ATOM 716 CB LYS A 49 -9.254 -3.793 -1.658 1.00 1.00 C ATOM 717 CG LYS A 49 -9.718 -5.216 -2.008 1.00 1.00 C ATOM 718 CD LYS A 49 -8.946 -6.262 -1.163 1.00 1.00 C ATOM 719 CE LYS A 49 -9.466 -7.670 -1.484 1.00 1.00 C ATOM 720 NZ LYS A 49 -9.262 -7.942 -2.930 1.00 1.00 N ATOM 0 H LYS A 49 -8.941 -1.629 -3.943 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.420 -3.213 -3.414 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.180 -3.705 -1.824 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -9.430 -3.599 -0.600 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.788 -5.311 -1.826 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -9.557 -5.407 -3.069 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.879 -6.200 -1.376 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -9.072 -6.051 -0.101 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -8.940 -8.412 -0.883 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -10.524 -7.748 -1.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -9.319 -8.966 -3.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.998 -7.457 -3.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -8.326 -7.593 -3.220 1.00 1.00 H new ATOM 734 N GLY A 50 -11.382 -0.808 -1.868 1.00 1.00 N ATOM 735 CA GLY A 50 -12.475 -0.106 -1.165 1.00 1.00 C ATOM 736 C GLY A 50 -12.112 0.095 0.306 1.00 1.00 C ATOM 737 O GLY A 50 -12.864 0.705 1.066 1.00 1.00 O ATOM 0 H GLY A 50 -10.791 -0.204 -2.438 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.660 0.859 -1.637 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.397 -0.682 -1.244 1.00 1.00 H new ATOM 741 N SER A 51 -10.947 -0.413 0.695 1.00 1.00 N ATOM 742 CA SER A 51 -10.415 -0.325 2.084 1.00 1.00 C ATOM 743 C SER A 51 -9.147 0.520 2.117 1.00 1.00 C ATOM 744 O SER A 51 -8.651 0.981 1.087 1.00 1.00 O ATOM 745 CB SER A 51 -10.109 -1.732 2.657 1.00 1.00 C ATOM 746 OG SER A 51 -11.307 -2.502 2.656 1.00 1.00 O ATOM 0 H SER A 51 -10.324 -0.908 0.058 1.00 1.00 H new ATOM 0 HA SER A 51 -11.181 0.145 2.700 1.00 1.00 H new ATOM 0 HB2 SER A 51 -9.344 -2.225 2.057 1.00 1.00 H new ATOM 0 HB3 SER A 51 -9.715 -1.649 3.670 1.00 1.00 H new ATOM 0 HG SER A 51 -11.122 -3.395 3.015 1.00 1.00 H new ATOM 752 N HIS A 52 -8.630 0.728 3.324 1.00 1.00 N ATOM 753 CA HIS A 52 -7.406 1.539 3.525 1.00 1.00 C ATOM 754 C HIS A 52 -6.217 0.627 3.835 1.00 1.00 C ATOM 755 O HIS A 52 -6.340 -0.360 4.559 1.00 1.00 O ATOM 756 CB HIS A 52 -7.625 2.536 4.684 1.00 1.00 C ATOM 757 CG HIS A 52 -8.033 1.797 5.926 1.00 1.00 C ATOM 758 ND1 HIS A 52 -7.106 1.267 6.806 1.00 1.00 N ATOM 759 CD2 HIS A 52 -9.265 1.487 6.440 1.00 1.00 C ATOM 760 CE1 HIS A 52 -7.787 0.676 7.802 1.00 1.00 C ATOM 761 NE2 HIS A 52 -9.107 0.781 7.627 1.00 1.00 N ATOM 0 H HIS A 52 -9.029 0.352 4.184 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.193 2.095 2.612 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.710 3.098 4.869 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -8.394 3.259 4.412 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -10.212 1.750 5.992 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -7.324 0.177 8.641 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -9.842 0.420 8.235 1.00 1.00 H new ATOM 770 N GLY A 53 -5.063 0.980 3.281 1.00 1.00 N ATOM 771 CA GLY A 53 -3.841 0.202 3.482 1.00 1.00 C ATOM 772 C GLY A 53 -2.630 1.115 3.524 1.00 1.00 C ATOM 773 O GLY A 53 -2.696 2.279 3.131 1.00 1.00 O ATOM 0 H GLY A 53 -4.945 1.801 2.688 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.911 -0.362 4.412 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.729 -0.524 2.677 1.00 1.00 H new ATOM 777 N TYR A 54 -1.512 0.568 3.989 1.00 1.00 N ATOM 778 CA TYR A 54 -0.245 1.334 4.080 1.00 1.00 C ATOM 779 C TYR A 54 0.888 0.541 3.451 1.00 1.00 C ATOM 780 O TYR A 54 0.934 -0.686 3.527 1.00 1.00 O ATOM 781 CB TYR A 54 0.088 1.627 5.551 1.00 1.00 C ATOM 782 CG TYR A 54 -1.047 2.462 6.158 1.00 1.00 C ATOM 783 CD1 TYR A 54 -2.208 1.827 6.630 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.941 3.868 6.248 1.00 1.00 C ATOM 785 CE1 TYR A 54 -3.248 2.580 7.181 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.987 4.611 6.803 1.00 1.00 C ATOM 787 CZ TYR A 54 -3.134 3.967 7.267 1.00 1.00 C ATOM 788 OH TYR A 54 -4.154 4.709 7.817 1.00 1.00 O ATOM 0 H TYR A 54 -1.443 -0.397 4.311 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.365 2.276 3.544 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.208 0.695 6.104 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.033 2.165 5.624 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.297 0.753 6.567 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -0.054 4.368 5.889 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -4.140 2.088 7.540 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.907 5.686 6.873 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.913 5.659 7.801 1.00 1.00 H new ATOM 798 N VAL A 55 1.812 1.264 2.826 1.00 1.00 N ATOM 799 CA VAL A 55 2.961 0.631 2.167 1.00 1.00 C ATOM 800 C VAL A 55 4.181 1.537 2.294 1.00 1.00 C ATOM 801 O VAL A 55 4.079 2.763 2.340 1.00 1.00 O ATOM 802 CB VAL A 55 2.651 0.346 0.666 1.00 1.00 C ATOM 803 CG1 VAL A 55 3.825 -0.428 -0.006 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.337 -0.484 0.543 1.00 1.00 C ATOM 0 H VAL A 55 1.793 2.282 2.759 1.00 1.00 H new ATOM 0 HA VAL A 55 3.166 -0.322 2.654 1.00 1.00 H new ATOM 0 HB VAL A 55 2.528 1.301 0.155 1.00 1.00 H new ATOM 0 HG11 VAL A 55 3.585 -0.615 -1.053 1.00 1.00 H new ATOM 0 HG12 VAL A 55 4.736 0.167 0.057 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.976 -1.378 0.507 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.127 -0.679 -0.509 1.00 1.00 H new ATOM 0 HG22 VAL A 55 1.454 -1.430 1.071 1.00 1.00 H new ATOM 0 HG23 VAL A 55 0.510 0.076 0.980 1.00 1.00 H new ATOM 814 N ALA A 56 5.348 0.904 2.336 1.00 1.00 N ATOM 815 CA ALA A 56 6.602 1.632 2.433 1.00 1.00 C ATOM 816 C ALA A 56 6.774 2.549 1.222 1.00 1.00 C ATOM 817 O ALA A 56 6.235 2.299 0.143 1.00 1.00 O ATOM 818 CB ALA A 56 7.771 0.635 2.497 1.00 1.00 C ATOM 0 H ALA A 56 5.449 -0.110 2.304 1.00 1.00 H new ATOM 0 HA ALA A 56 6.591 2.240 3.338 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.711 1.181 2.570 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.655 -0.006 3.371 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.776 0.022 1.596 1.00 1.00 H new ATOM 824 N LYS A 57 7.531 3.623 1.422 1.00 1.00 N ATOM 825 CA LYS A 57 7.814 4.597 0.341 1.00 1.00 C ATOM 826 C LYS A 57 9.223 4.416 -0.232 1.00 1.00 C ATOM 827 O LYS A 57 9.471 4.682 -1.408 1.00 1.00 O ATOM 828 CB LYS A 57 7.614 6.019 0.872 1.00 1.00 C ATOM 829 CG LYS A 57 8.511 6.250 2.100 1.00 1.00 C ATOM 830 CD LYS A 57 8.365 7.709 2.630 1.00 1.00 C ATOM 831 CE LYS A 57 9.525 8.054 3.612 1.00 1.00 C ATOM 832 NZ LYS A 57 10.722 8.414 2.811 1.00 1.00 N ATOM 0 H LYS A 57 7.965 3.852 2.316 1.00 1.00 H new ATOM 0 HA LYS A 57 7.117 4.418 -0.477 1.00 1.00 H new ATOM 0 HB2 LYS A 57 7.854 6.744 0.094 1.00 1.00 H new ATOM 0 HB3 LYS A 57 6.569 6.173 1.140 1.00 1.00 H new ATOM 0 HG2 LYS A 57 8.245 5.545 2.887 1.00 1.00 H new ATOM 0 HG3 LYS A 57 9.551 6.057 1.837 1.00 1.00 H new ATOM 0 HD2 LYS A 57 8.369 8.408 1.793 1.00 1.00 H new ATOM 0 HD3 LYS A 57 7.406 7.824 3.136 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.239 8.882 4.261 1.00 1.00 H new ATOM 0 HE3 LYS A 57 9.742 7.203 4.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 11.582 8.190 3.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 10.721 7.873 1.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 10.703 9.432 2.597 1.00 1.00 H new ATOM 846 N GLU A 58 10.144 3.978 0.621 1.00 1.00 N ATOM 847 CA GLU A 58 11.536 3.777 0.213 1.00 1.00 C ATOM 848 C GLU A 58 11.645 2.676 -0.834 1.00 1.00 C ATOM 849 O GLU A 58 12.509 2.705 -1.707 1.00 1.00 O ATOM 850 CB GLU A 58 12.391 3.431 1.460 1.00 1.00 C ATOM 851 CG GLU A 58 11.795 2.212 2.202 1.00 1.00 C ATOM 852 CD GLU A 58 12.636 1.858 3.430 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.840 2.042 3.374 1.00 1.00 O ATOM 854 OE2 GLU A 58 12.061 1.406 4.408 1.00 1.00 O ATOM 0 H GLU A 58 9.955 3.755 1.598 1.00 1.00 H new ATOM 0 HA GLU A 58 11.909 4.697 -0.237 1.00 1.00 H new ATOM 0 HB2 GLU A 58 13.416 3.215 1.158 1.00 1.00 H new ATOM 0 HB3 GLU A 58 12.431 4.289 2.131 1.00 1.00 H new ATOM 0 HG2 GLU A 58 10.772 2.431 2.507 1.00 1.00 H new ATOM 0 HG3 GLU A 58 11.750 1.357 1.528 1.00 1.00 H new ATOM 861 N TYR A 59 10.748 1.700 -0.733 1.00 1.00 N ATOM 862 CA TYR A 59 10.740 0.568 -1.681 1.00 1.00 C ATOM 863 C TYR A 59 10.461 1.077 -3.117 1.00 1.00 C ATOM 864 O TYR A 59 10.477 0.299 -4.071 1.00 1.00 O ATOM 865 CB TYR A 59 9.652 -0.484 -1.238 1.00 1.00 C ATOM 866 CG TYR A 59 8.337 -0.224 -2.002 1.00 1.00 C ATOM 867 CD1 TYR A 59 7.656 0.971 -1.784 1.00 1.00 C ATOM 868 CD2 TYR A 59 7.831 -1.145 -2.936 1.00 1.00 C ATOM 869 CE1 TYR A 59 6.469 1.252 -2.480 1.00 1.00 C ATOM 870 CE2 TYR A 59 6.646 -0.858 -3.632 1.00 1.00 C ATOM 871 CZ TYR A 59 5.971 0.341 -3.401 1.00 1.00 C ATOM 872 OH TYR A 59 4.799 0.608 -4.075 1.00 1.00 O ATOM 0 H TYR A 59 10.022 1.660 -0.017 1.00 1.00 H new ATOM 0 HA TYR A 59 11.717 0.084 -1.676 1.00 1.00 H new ATOM 0 HB2 TYR A 59 10.007 -1.495 -1.438 1.00 1.00 H new ATOM 0 HB3 TYR A 59 9.480 -0.414 -0.164 1.00 1.00 H new ATOM 0 HD1 TYR A 59 8.044 1.687 -1.074 1.00 1.00 H new ATOM 0 HD2 TYR A 59 8.353 -2.073 -3.118 1.00 1.00 H new ATOM 0 HE1 TYR A 59 5.943 2.178 -2.298 1.00 1.00 H new ATOM 0 HE2 TYR A 59 6.256 -1.567 -4.348 1.00 1.00 H new ATOM 0 HH TYR A 59 4.697 1.577 -4.183 1.00 1.00 H new ATOM 882 N ILE A 60 10.199 2.373 -3.245 1.00 1.00 N ATOM 883 CA ILE A 60 9.900 2.966 -4.564 1.00 1.00 C ATOM 884 C ILE A 60 11.224 3.174 -5.304 1.00 1.00 C ATOM 885 O ILE A 60 11.888 4.154 -5.023 1.00 1.00 O ATOM 886 CB ILE A 60 9.134 4.323 -4.392 1.00 1.00 C ATOM 887 CG1 ILE A 60 7.787 4.078 -3.611 1.00 1.00 C ATOM 888 CG2 ILE A 60 8.821 4.953 -5.780 1.00 1.00 C ATOM 889 CD1 ILE A 60 7.101 5.416 -3.244 1.00 1.00 C ATOM 890 OXT ILE A 60 11.556 2.342 -6.141 1.00 1.00 O ATOM 0 H ILE A 60 10.185 3.034 -2.469 1.00 1.00 H new ATOM 0 HA ILE A 60 9.258 2.300 -5.141 1.00 1.00 H new ATOM 0 HB ILE A 60 9.766 5.009 -3.828 1.00 1.00 H new ATOM 0 HG12 ILE A 60 7.114 3.477 -4.222 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.988 3.509 -2.704 1.00 1.00 H new ATOM 0 HG21 ILE A 60 8.289 5.894 -5.641 1.00 1.00 H new ATOM 0 HG22 ILE A 60 9.753 5.138 -6.314 1.00 1.00 H new ATOM 0 HG23 ILE A 60 8.201 4.268 -6.359 1.00 1.00 H new ATOM 0 HD11 ILE A 60 6.175 5.214 -2.706 1.00 1.00 H new ATOM 0 HD12 ILE A 60 7.766 6.005 -2.613 1.00 1.00 H new ATOM 0 HD13 ILE A 60 6.878 5.972 -4.154 1.00 1.00 H new TER 902 ILE A 60