USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 486 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 47 SER OG : rot 180:sc= -0.0642 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.928 K(o=-0.99,f=-2.1) USER MOD Set 2.1: A 39 ASN : amide:sc= -0.136 K(o=0.097,f=-3!) USER MOD Set 2.2: A 41 SER OG : rot 105:sc= 0.233 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.211 USER MOD Single : A 3 SER OG : rot 180:sc= -0.123 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -132:sc= 1.13 USER MOD Single : A 16 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.27) USER MOD Single : A 17 TYR OH : rot -45:sc= 0.144 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0197 (180deg=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.0013) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0877 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0.806 (180deg=0.806) USER MOD Single : A 48 THR OG1 : rot -67:sc= 1.38 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0753 X(o=-0.075,f=-0.048) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 150:sc= -0.0664 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.091 -13.777 -20.078 1.00 0.00 N ATOM 2 CA GLY A 1 13.331 -14.496 -20.303 1.00 0.00 C ATOM 3 C GLY A 1 13.594 -15.545 -19.240 1.00 0.00 C ATOM 4 O GLY A 1 13.268 -16.718 -19.422 1.00 0.00 O ATOM 0 H1 GLY A 1 11.957 -13.072 -20.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.295 -14.447 -20.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.131 -13.296 -19.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.297 -14.975 -21.281 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.159 -13.788 -20.323 1.00 0.00 H new ATOM 8 N SER A 2 14.186 -15.122 -18.127 1.00 0.00 N ATOM 9 CA SER A 2 14.498 -16.035 -17.033 1.00 0.00 C ATOM 10 C SER A 2 13.262 -16.301 -16.179 1.00 0.00 C ATOM 11 O SER A 2 12.942 -17.449 -15.871 1.00 0.00 O ATOM 12 CB SER A 2 15.618 -15.459 -16.165 1.00 0.00 C ATOM 13 OG SER A 2 15.176 -14.314 -15.456 1.00 0.00 O ATOM 0 H SER A 2 14.459 -14.154 -17.959 1.00 0.00 H new ATOM 0 HA SER A 2 14.831 -16.980 -17.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.963 -16.216 -15.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.470 -15.196 -16.792 1.00 0.00 H new ATOM 0 HG SER A 2 15.909 -13.966 -14.907 1.00 0.00 H new ATOM 19 N SER A 3 12.570 -15.230 -15.801 1.00 0.00 N ATOM 20 CA SER A 3 11.371 -15.346 -14.979 1.00 0.00 C ATOM 21 C SER A 3 10.135 -14.908 -15.757 1.00 0.00 C ATOM 22 O SER A 3 10.235 -14.191 -16.752 1.00 0.00 O ATOM 23 CB SER A 3 11.514 -14.504 -13.710 1.00 0.00 C ATOM 24 OG SER A 3 10.287 -14.433 -13.004 1.00 0.00 O ATOM 0 H SER A 3 12.819 -14.273 -16.051 1.00 0.00 H new ATOM 0 HA SER A 3 11.251 -16.393 -14.700 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.282 -14.936 -13.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.845 -13.499 -13.972 1.00 0.00 H new ATOM 0 HG SER A 3 10.405 -13.891 -12.196 1.00 0.00 H new ATOM 30 N GLY A 4 8.967 -15.345 -15.296 1.00 0.00 N ATOM 31 CA GLY A 4 7.726 -14.988 -15.960 1.00 0.00 C ATOM 32 C GLY A 4 6.559 -15.843 -15.506 1.00 0.00 C ATOM 33 O GLY A 4 6.585 -16.411 -14.414 1.00 0.00 O ATOM 0 H GLY A 4 8.858 -15.940 -14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.502 -13.939 -15.765 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.851 -15.092 -17.038 1.00 0.00 H new ATOM 37 N SER A 5 5.532 -15.932 -16.344 1.00 0.00 N ATOM 38 CA SER A 5 4.347 -16.718 -16.020 1.00 0.00 C ATOM 39 C SER A 5 3.796 -16.332 -14.651 1.00 0.00 C ATOM 40 O SER A 5 3.571 -17.188 -13.796 1.00 0.00 O ATOM 41 CB SER A 5 4.678 -18.212 -16.047 1.00 0.00 C ATOM 42 OG SER A 5 5.709 -18.489 -16.978 1.00 0.00 O ATOM 0 H SER A 5 5.496 -15.470 -17.253 1.00 0.00 H new ATOM 0 HA SER A 5 3.585 -16.508 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.984 -18.538 -15.053 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.786 -18.781 -16.308 1.00 0.00 H new ATOM 0 HG SER A 5 5.903 -19.450 -16.975 1.00 0.00 H new ATOM 48 N SER A 6 3.581 -15.035 -14.451 1.00 0.00 N ATOM 49 CA SER A 6 3.060 -14.533 -13.185 1.00 0.00 C ATOM 50 C SER A 6 1.536 -14.477 -13.209 1.00 0.00 C ATOM 51 O SER A 6 0.926 -14.311 -14.265 1.00 0.00 O ATOM 52 CB SER A 6 3.628 -13.143 -12.891 1.00 0.00 C ATOM 53 OG SER A 6 3.409 -12.262 -13.979 1.00 0.00 O ATOM 0 H SER A 6 3.760 -14.313 -15.149 1.00 0.00 H new ATOM 0 HA SER A 6 3.369 -15.218 -12.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.162 -12.739 -11.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.697 -13.219 -12.690 1.00 0.00 H new ATOM 0 HG SER A 6 3.780 -11.380 -13.766 1.00 0.00 H new ATOM 59 N GLY A 7 0.926 -14.618 -12.036 1.00 0.00 N ATOM 60 CA GLY A 7 -0.522 -14.582 -11.943 1.00 0.00 C ATOM 61 C GLY A 7 -1.009 -13.679 -10.827 1.00 0.00 C ATOM 62 O GLY A 7 -1.952 -14.018 -10.111 1.00 0.00 O ATOM 0 H GLY A 7 1.409 -14.757 -11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.935 -14.238 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.898 -15.592 -11.779 1.00 0.00 H new ATOM 66 N LEU A 8 -0.364 -12.528 -10.676 1.00 0.00 N ATOM 67 CA LEU A 8 -0.736 -11.573 -9.636 1.00 0.00 C ATOM 68 C LEU A 8 -2.044 -10.870 -9.985 1.00 0.00 C ATOM 69 O LEU A 8 -2.398 -10.745 -11.157 1.00 0.00 O ATOM 70 CB LEU A 8 0.376 -10.541 -9.444 1.00 0.00 C ATOM 71 CG LEU A 8 1.789 -11.100 -9.271 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.795 -9.969 -9.116 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.849 -12.037 -8.073 1.00 0.00 C ATOM 0 H LEU A 8 0.419 -12.233 -11.260 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.878 -12.123 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.375 -9.871 -10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.136 -9.937 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 8 2.046 -11.668 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.795 -10.386 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.771 -9.337 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.541 -9.373 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.862 -12.425 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.571 -11.492 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.157 -12.865 -8.224 1.00 0.00 H new ATOM 85 N GLU A 9 -2.755 -10.412 -8.960 1.00 0.00 N ATOM 86 CA GLU A 9 -4.023 -9.721 -9.159 1.00 0.00 C ATOM 87 C GLU A 9 -3.821 -8.208 -9.179 1.00 0.00 C ATOM 88 O GLU A 9 -2.973 -7.677 -8.462 1.00 0.00 O ATOM 89 CB GLU A 9 -5.015 -10.099 -8.057 1.00 0.00 C ATOM 90 CG GLU A 9 -5.241 -11.596 -7.929 1.00 0.00 C ATOM 91 CD GLU A 9 -5.858 -11.982 -6.599 1.00 0.00 C ATOM 92 OE1 GLU A 9 -5.989 -11.096 -5.728 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.208 -13.168 -6.428 1.00 0.00 O ATOM 0 H GLU A 9 -2.475 -10.507 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.427 -10.030 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.652 -9.712 -7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.969 -9.612 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.890 -11.932 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.290 -12.115 -8.048 1.00 0.00 H new ATOM 100 N GLN A 10 -4.604 -7.523 -10.005 1.00 0.00 N ATOM 101 CA GLN A 10 -4.510 -6.072 -10.119 1.00 0.00 C ATOM 102 C GLN A 10 -5.657 -5.392 -9.379 1.00 0.00 C ATOM 103 O GLN A 10 -6.826 -5.585 -9.714 1.00 0.00 O ATOM 104 CB GLN A 10 -4.518 -5.654 -11.591 1.00 0.00 C ATOM 105 CG GLN A 10 -3.298 -6.125 -12.364 1.00 0.00 C ATOM 106 CD GLN A 10 -3.493 -6.049 -13.866 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.404 -7.057 -14.567 1.00 0.00 O ATOM 108 NE2 GLN A 10 -3.760 -4.849 -14.368 1.00 0.00 N ATOM 0 H GLN A 10 -5.310 -7.949 -10.605 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.571 -5.757 -9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.415 -6.050 -12.068 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.579 -4.567 -11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.438 -5.518 -12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.069 -7.153 -12.083 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.825 -4.040 -13.750 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.900 -4.736 -15.372 1.00 0.00 H new ATOM 117 N TYR A 11 -5.314 -4.598 -8.371 1.00 0.00 N ATOM 118 CA TYR A 11 -6.316 -3.891 -7.581 1.00 0.00 C ATOM 119 C TYR A 11 -6.259 -2.390 -7.846 1.00 0.00 C ATOM 120 O TYR A 11 -5.193 -1.833 -8.105 1.00 0.00 O ATOM 121 CB TYR A 11 -6.105 -4.165 -6.090 1.00 0.00 C ATOM 122 CG TYR A 11 -6.792 -5.420 -5.602 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.541 -6.650 -6.198 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.692 -5.377 -4.545 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.167 -7.799 -5.756 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.322 -6.521 -4.095 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.056 -7.730 -4.704 1.00 0.00 C ATOM 128 OH TYR A 11 -8.681 -8.873 -4.260 1.00 0.00 O ATOM 0 H TYR A 11 -4.351 -4.428 -8.082 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.300 -4.257 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.036 -4.245 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.472 -3.314 -5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.844 -6.708 -7.021 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.903 -4.432 -4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.961 -8.747 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.019 -6.469 -3.271 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.275 -8.652 -3.512 1.00 0.00 H new ATOM 138 N VAL A 12 -7.417 -1.740 -7.780 1.00 0.00 N ATOM 139 CA VAL A 12 -7.501 -0.303 -8.011 1.00 0.00 C ATOM 140 C VAL A 12 -7.710 0.453 -6.704 1.00 0.00 C ATOM 141 O VAL A 12 -8.567 0.094 -5.896 1.00 0.00 O ATOM 142 CB VAL A 12 -8.648 0.043 -8.980 1.00 0.00 C ATOM 143 CG1 VAL A 12 -8.733 1.547 -9.191 1.00 0.00 C ATOM 144 CG2 VAL A 12 -8.462 -0.680 -10.305 1.00 0.00 C ATOM 0 H VAL A 12 -8.310 -2.186 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.554 0.002 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.587 -0.291 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.549 1.772 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.917 2.039 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.794 1.909 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.281 -0.424 -10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.516 -0.378 -10.754 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.456 -1.757 -10.134 1.00 0.00 H new ATOM 154 N VAL A 13 -6.919 1.502 -6.501 1.00 0.00 N ATOM 155 CA VAL A 13 -7.018 2.311 -5.291 1.00 0.00 C ATOM 156 C VAL A 13 -8.402 2.935 -5.159 1.00 0.00 C ATOM 157 O VAL A 13 -9.062 3.227 -6.157 1.00 0.00 O ATOM 158 CB VAL A 13 -5.959 3.429 -5.276 1.00 0.00 C ATOM 159 CG1 VAL A 13 -5.953 4.141 -3.932 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.583 2.864 -5.596 1.00 0.00 C ATOM 0 H VAL A 13 -6.203 1.812 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.842 1.643 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.215 4.158 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.198 4.928 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.933 4.581 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.723 3.426 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.847 3.668 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.316 2.114 -4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.599 2.405 -6.585 1.00 0.00 H new ATOM 170 N VAL A 14 -8.837 3.139 -3.919 1.00 0.00 N ATOM 171 CA VAL A 14 -10.143 3.730 -3.655 1.00 0.00 C ATOM 172 C VAL A 14 -10.006 5.064 -2.929 1.00 0.00 C ATOM 173 O VAL A 14 -10.859 5.942 -3.055 1.00 0.00 O ATOM 174 CB VAL A 14 -11.027 2.789 -2.815 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.440 1.574 -3.631 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.299 2.367 -1.547 1.00 0.00 C ATOM 0 H VAL A 14 -8.304 2.904 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.617 3.893 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.930 3.327 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.064 0.921 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.002 1.898 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.551 1.031 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.937 1.702 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.379 1.846 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.058 3.250 -0.955 1.00 0.00 H new ATOM 186 N SER A 15 -8.926 5.208 -2.168 1.00 0.00 N ATOM 187 CA SER A 15 -8.677 6.434 -1.418 1.00 0.00 C ATOM 188 C SER A 15 -7.241 6.910 -1.615 1.00 0.00 C ATOM 189 O SER A 15 -6.334 6.108 -1.833 1.00 0.00 O ATOM 190 CB SER A 15 -8.953 6.211 0.070 1.00 0.00 C ATOM 191 OG SER A 15 -8.410 7.261 0.852 1.00 0.00 O ATOM 0 H SER A 15 -8.209 4.491 -2.054 1.00 0.00 H new ATOM 0 HA SER A 15 -9.351 7.204 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.028 6.147 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.524 5.260 0.384 1.00 0.00 H new ATOM 0 HG SER A 15 -7.904 6.883 1.601 1.00 0.00 H new ATOM 197 N ASN A 16 -7.044 8.222 -1.538 1.00 0.00 N ATOM 198 CA ASN A 16 -5.718 8.807 -1.708 1.00 0.00 C ATOM 199 C ASN A 16 -4.832 8.506 -0.503 1.00 0.00 C ATOM 200 O ASN A 16 -5.225 8.734 0.641 1.00 0.00 O ATOM 201 CB ASN A 16 -5.828 10.319 -1.911 1.00 0.00 C ATOM 202 CG ASN A 16 -6.201 11.048 -0.634 1.00 0.00 C ATOM 203 OD1 ASN A 16 -7.380 11.220 -0.326 1.00 0.00 O ATOM 204 ND2 ASN A 16 -5.194 11.480 0.116 1.00 0.00 N ATOM 0 H ASN A 16 -7.785 8.900 -1.359 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.261 8.361 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.878 10.703 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.576 10.527 -2.676 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.383 11.977 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.231 11.315 -0.178 1.00 0.00 H new ATOM 211 N TYR A 17 -3.635 7.995 -0.769 1.00 0.00 N ATOM 212 CA TYR A 17 -2.694 7.661 0.293 1.00 0.00 C ATOM 213 C TYR A 17 -1.495 8.604 0.274 1.00 0.00 C ATOM 214 O TYR A 17 -1.067 9.062 -0.786 1.00 0.00 O ATOM 215 CB TYR A 17 -2.221 6.213 0.148 1.00 0.00 C ATOM 216 CG TYR A 17 -1.665 5.627 1.426 1.00 0.00 C ATOM 217 CD1 TYR A 17 -0.353 5.872 1.812 1.00 0.00 C ATOM 218 CD2 TYR A 17 -2.452 4.830 2.248 1.00 0.00 C ATOM 219 CE1 TYR A 17 0.160 5.337 2.978 1.00 0.00 C ATOM 220 CE2 TYR A 17 -1.948 4.293 3.417 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.642 4.549 3.777 1.00 0.00 C ATOM 222 OH TYR A 17 -0.135 4.016 4.941 1.00 0.00 O ATOM 0 H TYR A 17 -3.294 7.803 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.208 7.774 1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.056 5.599 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.456 6.165 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.277 6.491 1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.475 4.627 1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.183 5.535 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.574 3.676 4.045 1.00 0.00 H new ATOM 0 HH TYR A 17 0.755 3.643 4.770 1.00 0.00 H new ATOM 232 N LYS A 18 -0.956 8.889 1.454 1.00 0.00 N ATOM 233 CA LYS A 18 0.196 9.775 1.576 1.00 0.00 C ATOM 234 C LYS A 18 1.390 9.037 2.171 1.00 0.00 C ATOM 235 O LYS A 18 1.287 8.421 3.232 1.00 0.00 O ATOM 236 CB LYS A 18 -0.155 10.984 2.446 1.00 0.00 C ATOM 237 CG LYS A 18 0.882 12.092 2.395 1.00 0.00 C ATOM 238 CD LYS A 18 0.933 12.870 3.699 1.00 0.00 C ATOM 239 CE LYS A 18 -0.268 13.791 3.846 1.00 0.00 C ATOM 240 NZ LYS A 18 -1.419 13.103 4.494 1.00 0.00 N ATOM 0 H LYS A 18 -1.299 8.519 2.341 1.00 0.00 H new ATOM 0 HA LYS A 18 0.465 10.119 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.117 11.384 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.273 10.656 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.863 11.664 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.650 12.771 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.964 12.175 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.850 13.458 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.013 14.663 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.569 14.155 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.074 13.812 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.916 12.520 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.072 12.496 5.264 1.00 0.00 H new ATOM 254 N LYS A 19 2.524 9.103 1.482 1.00 0.00 N ATOM 255 CA LYS A 19 3.740 8.444 1.943 1.00 0.00 C ATOM 256 C LYS A 19 4.290 9.127 3.192 1.00 0.00 C ATOM 257 O LYS A 19 4.342 10.354 3.266 1.00 0.00 O ATOM 258 CB LYS A 19 4.799 8.449 0.838 1.00 0.00 C ATOM 259 CG LYS A 19 5.383 9.824 0.562 1.00 0.00 C ATOM 260 CD LYS A 19 6.103 9.865 -0.775 1.00 0.00 C ATOM 261 CE LYS A 19 7.455 9.172 -0.702 1.00 0.00 C ATOM 262 NZ LYS A 19 7.980 8.836 -2.054 1.00 0.00 N ATOM 0 H LYS A 19 2.626 9.607 0.601 1.00 0.00 H new ATOM 0 HA LYS A 19 3.491 7.413 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.605 7.770 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.357 8.060 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.586 10.567 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.077 10.092 1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.488 9.385 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.240 10.901 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.166 9.817 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.364 8.261 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.903 8.365 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.314 8.200 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.091 9.708 -2.610 1.00 0.00 H new ATOM 276 N GLN A 20 4.700 8.324 4.168 1.00 0.00 N ATOM 277 CA GLN A 20 5.246 8.852 5.412 1.00 0.00 C ATOM 278 C GLN A 20 6.566 8.171 5.760 1.00 0.00 C ATOM 279 O GLN A 20 7.512 8.821 6.203 1.00 0.00 O ATOM 280 CB GLN A 20 4.245 8.665 6.554 1.00 0.00 C ATOM 281 CG GLN A 20 3.119 9.686 6.549 1.00 0.00 C ATOM 282 CD GLN A 20 2.441 9.814 7.899 1.00 0.00 C ATOM 283 OE1 GLN A 20 2.905 9.257 8.894 1.00 0.00 O ATOM 284 NE2 GLN A 20 1.337 10.551 7.940 1.00 0.00 N ATOM 0 H GLN A 20 4.664 7.306 4.121 1.00 0.00 H new ATOM 0 HA GLN A 20 5.433 9.917 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.817 7.664 6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.775 8.726 7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.516 10.657 6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.379 9.402 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.988 10.995 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.838 10.673 8.821 1.00 0.00 H new ATOM 293 N GLU A 21 6.620 6.858 5.557 1.00 0.00 N ATOM 294 CA GLU A 21 7.823 6.089 5.851 1.00 0.00 C ATOM 295 C GLU A 21 8.460 5.563 4.568 1.00 0.00 C ATOM 296 O GLU A 21 7.820 5.519 3.518 1.00 0.00 O ATOM 297 CB GLU A 21 7.495 4.923 6.786 1.00 0.00 C ATOM 298 CG GLU A 21 8.667 4.486 7.649 1.00 0.00 C ATOM 299 CD GLU A 21 9.175 5.596 8.548 1.00 0.00 C ATOM 300 OE1 GLU A 21 8.340 6.272 9.185 1.00 0.00 O ATOM 301 OE2 GLU A 21 10.407 5.790 8.614 1.00 0.00 O ATOM 0 H GLU A 21 5.845 6.305 5.190 1.00 0.00 H new ATOM 0 HA GLU A 21 8.534 6.751 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.665 5.209 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.157 4.075 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.365 3.637 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.478 4.144 7.007 1.00 0.00 H new ATOM 308 N ASN A 22 9.725 5.165 4.662 1.00 0.00 N ATOM 309 CA ASN A 22 10.449 4.643 3.508 1.00 0.00 C ATOM 310 C ASN A 22 9.676 3.504 2.851 1.00 0.00 C ATOM 311 O ASN A 22 9.699 3.347 1.630 1.00 0.00 O ATOM 312 CB ASN A 22 11.837 4.157 3.929 1.00 0.00 C ATOM 313 CG ASN A 22 12.822 4.151 2.776 1.00 0.00 C ATOM 314 OD1 ASN A 22 13.376 3.109 2.424 1.00 0.00 O ATOM 315 ND2 ASN A 22 13.045 5.318 2.183 1.00 0.00 N ATOM 0 H ASN A 22 10.269 5.194 5.524 1.00 0.00 H new ATOM 0 HA ASN A 22 10.558 5.449 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.217 4.798 4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.757 3.151 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.698 5.377 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.563 6.156 2.509 1.00 0.00 H new ATOM 322 N SER A 23 8.992 2.710 3.670 1.00 0.00 N ATOM 323 CA SER A 23 8.215 1.583 3.169 1.00 0.00 C ATOM 324 C SER A 23 6.756 1.979 2.960 1.00 0.00 C ATOM 325 O SER A 23 5.844 1.255 3.356 1.00 0.00 O ATOM 326 CB SER A 23 8.302 0.404 4.141 1.00 0.00 C ATOM 327 OG SER A 23 7.946 0.800 5.454 1.00 0.00 O ATOM 0 H SER A 23 8.961 2.827 4.683 1.00 0.00 H new ATOM 0 HA SER A 23 8.633 1.284 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.642 -0.396 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.315 0.002 4.141 1.00 0.00 H new ATOM 0 HG SER A 23 8.008 0.029 6.056 1.00 0.00 H new ATOM 333 N GLU A 24 6.546 3.133 2.336 1.00 0.00 N ATOM 334 CA GLU A 24 5.199 3.626 2.076 1.00 0.00 C ATOM 335 C GLU A 24 5.125 4.317 0.717 1.00 0.00 C ATOM 336 O GLU A 24 6.056 5.016 0.312 1.00 0.00 O ATOM 337 CB GLU A 24 4.765 4.596 3.177 1.00 0.00 C ATOM 338 CG GLU A 24 4.726 3.968 4.560 1.00 0.00 C ATOM 339 CD GLU A 24 3.783 2.783 4.637 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.679 2.864 4.060 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.151 1.773 5.274 1.00 0.00 O ATOM 0 H GLU A 24 7.291 3.744 2.001 1.00 0.00 H new ATOM 0 HA GLU A 24 4.523 2.771 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.448 5.445 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.776 4.987 2.936 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.730 3.647 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.419 4.719 5.288 1.00 0.00 H new ATOM 348 N LEU A 25 4.014 4.117 0.018 1.00 0.00 N ATOM 349 CA LEU A 25 3.818 4.720 -1.296 1.00 0.00 C ATOM 350 C LEU A 25 2.689 5.745 -1.262 1.00 0.00 C ATOM 351 O LEU A 25 1.820 5.697 -0.391 1.00 0.00 O ATOM 352 CB LEU A 25 3.509 3.639 -2.334 1.00 0.00 C ATOM 353 CG LEU A 25 4.716 2.895 -2.907 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.265 1.816 -3.880 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.668 3.867 -3.588 1.00 0.00 C ATOM 0 H LEU A 25 3.235 3.542 0.339 1.00 0.00 H new ATOM 0 HA LEU A 25 4.740 5.231 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.839 2.909 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.966 4.100 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 25 5.247 2.415 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.137 1.297 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.624 1.103 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.710 2.274 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.521 3.320 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.149 4.376 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.017 4.602 -2.863 1.00 0.00 H new ATOM 367 N SER A 26 2.707 6.670 -2.216 1.00 0.00 N ATOM 368 CA SER A 26 1.686 7.708 -2.294 1.00 0.00 C ATOM 369 C SER A 26 0.738 7.450 -3.461 1.00 0.00 C ATOM 370 O SER A 26 0.773 8.153 -4.472 1.00 0.00 O ATOM 371 CB SER A 26 2.338 9.084 -2.446 1.00 0.00 C ATOM 372 OG SER A 26 2.949 9.495 -1.236 1.00 0.00 O ATOM 0 H SER A 26 3.418 6.722 -2.946 1.00 0.00 H new ATOM 0 HA SER A 26 1.110 7.687 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.083 9.051 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.587 9.815 -2.744 1.00 0.00 H new ATOM 0 HG SER A 26 3.360 10.376 -1.360 1.00 0.00 H new ATOM 378 N LEU A 27 -0.109 6.437 -3.314 1.00 0.00 N ATOM 379 CA LEU A 27 -1.069 6.085 -4.355 1.00 0.00 C ATOM 380 C LEU A 27 -2.080 7.207 -4.566 1.00 0.00 C ATOM 381 O LEU A 27 -2.103 8.183 -3.816 1.00 0.00 O ATOM 382 CB LEU A 27 -1.795 4.790 -3.989 1.00 0.00 C ATOM 383 CG LEU A 27 -0.920 3.660 -3.444 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.747 2.403 -3.225 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.240 3.381 -4.388 1.00 0.00 C ATOM 0 H LEU A 27 -0.151 5.845 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.521 5.936 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.558 5.022 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.314 4.425 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.512 3.973 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.108 1.610 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.542 2.611 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.185 2.086 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.852 2.574 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.147 3.089 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.848 4.280 -4.493 1.00 0.00 H new ATOM 397 N GLN A 28 -2.915 7.059 -5.589 1.00 0.00 N ATOM 398 CA GLN A 28 -3.930 8.060 -5.897 1.00 0.00 C ATOM 399 C GLN A 28 -5.267 7.399 -6.218 1.00 0.00 C ATOM 400 O GLN A 28 -5.312 6.340 -6.843 1.00 0.00 O ATOM 401 CB GLN A 28 -3.481 8.927 -7.074 1.00 0.00 C ATOM 402 CG GLN A 28 -2.634 10.121 -6.662 1.00 0.00 C ATOM 403 CD GLN A 28 -2.147 10.929 -7.849 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.940 11.538 -8.567 1.00 0.00 O ATOM 405 NE2 GLN A 28 -0.837 10.937 -8.062 1.00 0.00 N ATOM 0 H GLN A 28 -2.909 6.256 -6.218 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.059 8.692 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.912 8.312 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.361 9.284 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.217 10.765 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.776 9.772 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.216 10.418 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.451 11.462 -8.846 1.00 0.00 H new ATOM 414 N ALA A 29 -6.353 8.031 -5.786 1.00 0.00 N ATOM 415 CA ALA A 29 -7.690 7.505 -6.029 1.00 0.00 C ATOM 416 C ALA A 29 -7.907 7.219 -7.511 1.00 0.00 C ATOM 417 O ALA A 29 -7.967 8.137 -8.328 1.00 0.00 O ATOM 418 CB ALA A 29 -8.742 8.479 -5.518 1.00 0.00 C ATOM 0 H ALA A 29 -6.333 8.908 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.787 6.565 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.736 8.073 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.609 8.630 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.636 9.433 -6.035 1.00 0.00 H new ATOM 424 N GLY A 30 -8.023 5.939 -7.852 1.00 0.00 N ATOM 425 CA GLY A 30 -8.231 5.556 -9.236 1.00 0.00 C ATOM 426 C GLY A 30 -7.036 4.832 -9.822 1.00 0.00 C ATOM 427 O GLY A 30 -7.163 4.114 -10.813 1.00 0.00 O ATOM 0 H GLY A 30 -7.977 5.161 -7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.110 4.915 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.439 6.447 -9.829 1.00 0.00 H new ATOM 431 N GLU A 31 -5.871 5.022 -9.210 1.00 0.00 N ATOM 432 CA GLU A 31 -4.648 4.382 -9.680 1.00 0.00 C ATOM 433 C GLU A 31 -4.753 2.864 -9.575 1.00 0.00 C ATOM 434 O GLU A 31 -5.430 2.336 -8.693 1.00 0.00 O ATOM 435 CB GLU A 31 -3.445 4.878 -8.875 1.00 0.00 C ATOM 436 CG GLU A 31 -2.145 4.880 -9.662 1.00 0.00 C ATOM 437 CD GLU A 31 -2.233 5.704 -10.932 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.065 6.939 -10.852 1.00 0.00 O ATOM 439 OE2 GLU A 31 -2.470 5.113 -12.007 1.00 0.00 O ATOM 0 H GLU A 31 -5.749 5.614 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.509 4.647 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.647 5.889 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.325 4.249 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.345 5.272 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.877 3.855 -9.917 1.00 0.00 H new ATOM 446 N VAL A 32 -4.078 2.166 -10.483 1.00 0.00 N ATOM 447 CA VAL A 32 -4.094 0.708 -10.493 1.00 0.00 C ATOM 448 C VAL A 32 -2.746 0.140 -10.063 1.00 0.00 C ATOM 449 O VAL A 32 -1.694 0.627 -10.478 1.00 0.00 O ATOM 450 CB VAL A 32 -4.447 0.160 -11.889 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.535 -1.358 -11.860 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.749 0.769 -12.386 1.00 0.00 C ATOM 0 H VAL A 32 -3.513 2.587 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.860 0.396 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.654 0.440 -12.582 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.785 -1.727 -12.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.576 -1.772 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.307 -1.664 -11.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.983 0.371 -13.373 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.554 0.521 -11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.644 1.852 -12.447 1.00 0.00 H new ATOM 462 N VAL A 33 -2.785 -0.893 -9.227 1.00 0.00 N ATOM 463 CA VAL A 33 -1.566 -1.529 -8.741 1.00 0.00 C ATOM 464 C VAL A 33 -1.638 -3.044 -8.894 1.00 0.00 C ATOM 465 O VAL A 33 -2.669 -3.590 -9.287 1.00 0.00 O ATOM 466 CB VAL A 33 -1.306 -1.185 -7.262 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.228 0.322 -7.070 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.385 -1.789 -6.377 1.00 0.00 C ATOM 0 H VAL A 33 -3.647 -1.307 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.745 -1.145 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.347 -1.614 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.044 0.546 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.415 0.724 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.169 0.777 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.185 -1.536 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.358 -1.392 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.386 -2.873 -6.493 1.00 0.00 H new ATOM 478 N ASP A 34 -0.537 -3.718 -8.580 1.00 0.00 N ATOM 479 CA ASP A 34 -0.475 -5.171 -8.681 1.00 0.00 C ATOM 480 C ASP A 34 -0.097 -5.793 -7.341 1.00 0.00 C ATOM 481 O ASP A 34 1.029 -5.636 -6.867 1.00 0.00 O ATOM 482 CB ASP A 34 0.533 -5.587 -9.753 1.00 0.00 C ATOM 483 CG ASP A 34 0.028 -5.320 -11.158 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.533 -4.229 -11.390 1.00 0.00 O ATOM 485 OD2 ASP A 34 0.194 -6.203 -12.025 1.00 0.00 O ATOM 0 H ASP A 34 0.325 -3.281 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.464 -5.533 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.468 -5.048 -9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.756 -6.649 -9.646 1.00 0.00 H new ATOM 490 N VAL A 35 -1.045 -6.500 -6.733 1.00 0.00 N ATOM 491 CA VAL A 35 -0.811 -7.146 -5.447 1.00 0.00 C ATOM 492 C VAL A 35 0.167 -8.308 -5.585 1.00 0.00 C ATOM 493 O VAL A 35 -0.077 -9.250 -6.339 1.00 0.00 O ATOM 494 CB VAL A 35 -2.125 -7.665 -4.833 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.886 -8.188 -3.424 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.181 -6.571 -4.833 1.00 0.00 C ATOM 0 H VAL A 35 -1.982 -6.640 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.383 -6.392 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.490 -8.491 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.825 -8.550 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.164 -9.004 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.497 -7.384 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.103 -6.955 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.827 -5.723 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.372 -6.249 -5.857 1.00 0.00 H new ATOM 506 N ILE A 36 1.272 -8.234 -4.852 1.00 0.00 N ATOM 507 CA ILE A 36 2.286 -9.280 -4.892 1.00 0.00 C ATOM 508 C ILE A 36 2.144 -10.228 -3.706 1.00 0.00 C ATOM 509 O ILE A 36 2.034 -11.442 -3.880 1.00 0.00 O ATOM 510 CB ILE A 36 3.707 -8.687 -4.893 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.891 -7.747 -6.086 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.745 -9.799 -4.924 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.150 -6.912 -6.010 1.00 0.00 C ATOM 0 H ILE A 36 1.488 -7.461 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 36 2.132 -9.834 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 36 3.845 -8.112 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.911 -8.336 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.028 -7.084 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.744 -9.364 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.626 -10.433 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.610 -10.398 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.214 -6.270 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.124 -6.296 -5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.020 -7.568 -5.975 1.00 0.00 H new ATOM 525 N GLU A 37 2.146 -9.666 -2.502 1.00 0.00 N ATOM 526 CA GLU A 37 2.016 -10.462 -1.287 1.00 0.00 C ATOM 527 C GLU A 37 0.897 -9.923 -0.400 1.00 0.00 C ATOM 528 O GLU A 37 0.630 -8.722 -0.379 1.00 0.00 O ATOM 529 CB GLU A 37 3.336 -10.471 -0.513 1.00 0.00 C ATOM 530 CG GLU A 37 4.308 -11.541 -0.981 1.00 0.00 C ATOM 531 CD GLU A 37 5.755 -11.164 -0.730 1.00 0.00 C ATOM 532 OE1 GLU A 37 5.995 -10.238 0.073 1.00 0.00 O ATOM 533 OE2 GLU A 37 6.647 -11.794 -1.336 1.00 0.00 O ATOM 0 H GLU A 37 2.236 -8.663 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 37 1.766 -11.483 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.810 -9.494 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.126 -10.621 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.086 -12.477 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.162 -11.718 -2.047 1.00 0.00 H new ATOM 540 N LYS A 38 0.245 -10.821 0.330 1.00 0.00 N ATOM 541 CA LYS A 38 -0.845 -10.439 1.220 1.00 0.00 C ATOM 542 C LYS A 38 -0.552 -10.867 2.655 1.00 0.00 C ATOM 543 O LYS A 38 -0.296 -12.040 2.922 1.00 0.00 O ATOM 544 CB LYS A 38 -2.159 -11.064 0.749 1.00 0.00 C ATOM 545 CG LYS A 38 -2.546 -10.673 -0.667 1.00 0.00 C ATOM 546 CD LYS A 38 -3.306 -11.787 -1.366 1.00 0.00 C ATOM 547 CE LYS A 38 -3.832 -11.339 -2.721 1.00 0.00 C ATOM 548 NZ LYS A 38 -5.091 -12.045 -3.088 1.00 0.00 N ATOM 0 H LYS A 38 0.453 -11.820 0.323 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.937 -9.353 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.077 -12.149 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.957 -10.768 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.160 -9.773 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.649 -10.431 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.652 -12.649 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.138 -12.109 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.010 -10.264 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.076 -11.525 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.417 -11.712 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.915 -13.069 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.821 -11.847 -2.374 1.00 0.00 H new ATOM 562 N ASN A 39 -0.593 -9.908 3.574 1.00 0.00 N ATOM 563 CA ASN A 39 -0.332 -10.186 4.981 1.00 0.00 C ATOM 564 C ASN A 39 -1.635 -10.424 5.739 1.00 0.00 C ATOM 565 O ASN A 39 -2.592 -9.662 5.601 1.00 0.00 O ATOM 566 CB ASN A 39 0.437 -9.027 5.618 1.00 0.00 C ATOM 567 CG ASN A 39 1.170 -9.443 6.879 1.00 0.00 C ATOM 568 OD1 ASN A 39 0.961 -8.871 7.949 1.00 0.00 O ATOM 569 ND2 ASN A 39 2.034 -10.445 6.758 1.00 0.00 N ATOM 0 H ASN A 39 -0.805 -8.931 3.369 1.00 0.00 H new ATOM 0 HA ASN A 39 0.273 -11.091 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.154 -8.631 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.257 -8.220 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.556 -10.769 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.175 -10.890 5.851 1.00 0.00 H new ATOM 576 N GLU A 40 -1.663 -11.485 6.539 1.00 0.00 N ATOM 577 CA GLU A 40 -2.849 -11.822 7.318 1.00 0.00 C ATOM 578 C GLU A 40 -3.307 -10.631 8.154 1.00 0.00 C ATOM 579 O GLU A 40 -4.496 -10.476 8.434 1.00 0.00 O ATOM 580 CB GLU A 40 -2.564 -13.019 8.229 1.00 0.00 C ATOM 581 CG GLU A 40 -3.815 -13.636 8.831 1.00 0.00 C ATOM 582 CD GLU A 40 -3.577 -15.035 9.365 1.00 0.00 C ATOM 583 OE1 GLU A 40 -3.217 -15.162 10.555 1.00 0.00 O ATOM 584 OE2 GLU A 40 -3.749 -16.002 8.595 1.00 0.00 O ATOM 0 H GLU A 40 -0.879 -12.125 6.665 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.647 -12.084 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.032 -13.780 7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.901 -12.702 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.177 -13.000 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.599 -13.668 8.075 1.00 0.00 H new ATOM 591 N SER A 41 -2.356 -9.792 8.551 1.00 0.00 N ATOM 592 CA SER A 41 -2.660 -8.617 9.358 1.00 0.00 C ATOM 593 C SER A 41 -3.575 -7.659 8.601 1.00 0.00 C ATOM 594 O SER A 41 -4.400 -6.969 9.198 1.00 0.00 O ATOM 595 CB SER A 41 -1.370 -7.898 9.758 1.00 0.00 C ATOM 596 OG SER A 41 -0.523 -8.751 10.509 1.00 0.00 O ATOM 0 H SER A 41 -1.367 -9.905 8.326 1.00 0.00 H new ATOM 0 HA SER A 41 -3.176 -8.950 10.258 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.848 -7.557 8.864 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.611 -7.011 10.344 1.00 0.00 H new ATOM 0 HG SER A 41 0.222 -9.050 9.947 1.00 0.00 H new ATOM 602 N GLY A 42 -3.423 -7.624 7.281 1.00 0.00 N ATOM 603 CA GLY A 42 -4.241 -6.749 6.462 1.00 0.00 C ATOM 604 C GLY A 42 -3.417 -5.916 5.500 1.00 0.00 C ATOM 605 O GLY A 42 -3.932 -5.423 4.497 1.00 0.00 O ATOM 0 H GLY A 42 -2.747 -8.186 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.956 -7.348 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.819 -6.087 7.108 1.00 0.00 H new ATOM 609 N TRP A 43 -2.134 -5.758 5.807 1.00 0.00 N ATOM 610 CA TRP A 43 -1.237 -4.977 4.963 1.00 0.00 C ATOM 611 C TRP A 43 -0.869 -5.749 3.700 1.00 0.00 C ATOM 612 O TRP A 43 -0.309 -6.843 3.771 1.00 0.00 O ATOM 613 CB TRP A 43 0.029 -4.606 5.735 1.00 0.00 C ATOM 614 CG TRP A 43 -0.195 -3.544 6.769 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.653 -3.724 8.043 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.026 -2.138 6.615 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.730 -2.515 8.690 1.00 0.00 N ATOM 618 CE2 TRP A 43 -0.318 -1.526 7.836 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.482 -1.336 5.565 1.00 0.00 C ATOM 620 CZ2 TRP A 43 -0.220 -0.151 8.034 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.579 0.028 5.763 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.230 0.609 6.989 1.00 0.00 C ATOM 0 H TRP A 43 -1.692 -6.160 6.634 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.756 -4.064 4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.424 -5.498 6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.788 -4.264 5.031 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.916 -4.677 8.478 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.043 -2.376 9.651 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.754 -1.775 4.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.489 0.299 8.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.930 0.657 4.958 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.318 1.678 7.112 1.00 0.00 H new ATOM 633 N TRP A 44 -1.187 -5.172 2.546 1.00 0.00 N ATOM 634 CA TRP A 44 -0.889 -5.807 1.268 1.00 0.00 C ATOM 635 C TRP A 44 0.314 -5.149 0.600 1.00 0.00 C ATOM 636 O TRP A 44 0.536 -3.947 0.746 1.00 0.00 O ATOM 637 CB TRP A 44 -2.105 -5.733 0.342 1.00 0.00 C ATOM 638 CG TRP A 44 -3.178 -6.719 0.692 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.441 -7.242 1.926 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.132 -7.301 -0.203 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.499 -8.114 1.852 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.942 -8.168 0.556 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.381 -7.174 -1.572 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.981 -8.902 -0.009 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.413 -7.903 -2.132 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.203 -8.758 -1.352 1.00 0.00 C ATOM 0 H TRP A 44 -1.651 -4.267 2.470 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.649 -6.853 1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.521 -4.726 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.782 -5.907 -0.685 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.896 -7.004 2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.892 -8.637 2.635 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.778 -6.518 -2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.590 -9.562 0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.614 -7.812 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.002 -9.314 -1.819 1.00 0.00 H new ATOM 657 N PHE A 45 1.087 -5.944 -0.132 1.00 0.00 N ATOM 658 CA PHE A 45 2.268 -5.438 -0.821 1.00 0.00 C ATOM 659 C PHE A 45 2.014 -5.319 -2.321 1.00 0.00 C ATOM 660 O PHE A 45 2.150 -6.292 -3.064 1.00 0.00 O ATOM 661 CB PHE A 45 3.466 -6.355 -0.567 1.00 0.00 C ATOM 662 CG PHE A 45 4.745 -5.854 -1.173 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.192 -4.569 -0.914 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.500 -6.668 -2.002 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.369 -4.104 -1.472 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.678 -6.210 -2.562 1.00 0.00 C ATOM 667 CZ PHE A 45 7.113 -4.926 -2.296 1.00 0.00 C ATOM 0 H PHE A 45 0.917 -6.941 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 45 2.489 -4.446 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.604 -6.470 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.247 -7.345 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.615 -3.923 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.164 -7.672 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.706 -3.099 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.257 -6.855 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.033 -4.566 -2.732 1.00 0.00 H new ATOM 677 N VAL A 46 1.643 -4.121 -2.760 1.00 0.00 N ATOM 678 CA VAL A 46 1.369 -3.874 -4.170 1.00 0.00 C ATOM 679 C VAL A 46 2.588 -3.285 -4.871 1.00 0.00 C ATOM 680 O VAL A 46 3.476 -2.724 -4.229 1.00 0.00 O ATOM 681 CB VAL A 46 0.175 -2.918 -4.352 1.00 0.00 C ATOM 682 CG1 VAL A 46 -1.058 -3.465 -3.649 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.521 -1.530 -3.836 1.00 0.00 C ATOM 0 H VAL A 46 1.525 -3.306 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 46 1.125 -4.837 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.047 -2.840 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.892 -2.777 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.316 -4.437 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.851 -3.574 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.334 -0.868 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.770 -1.587 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.375 -1.139 -4.389 1.00 0.00 H new ATOM 693 N SER A 47 2.625 -3.415 -6.193 1.00 0.00 N ATOM 694 CA SER A 47 3.737 -2.899 -6.983 1.00 0.00 C ATOM 695 C SER A 47 3.231 -2.025 -8.127 1.00 0.00 C ATOM 696 O SER A 47 2.373 -2.438 -8.908 1.00 0.00 O ATOM 697 CB SER A 47 4.574 -4.052 -7.538 1.00 0.00 C ATOM 698 OG SER A 47 5.327 -3.639 -8.666 1.00 0.00 O ATOM 0 H SER A 47 1.897 -3.874 -6.740 1.00 0.00 H new ATOM 0 HA SER A 47 4.361 -2.288 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.246 -4.423 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.921 -4.879 -7.816 1.00 0.00 H new ATOM 0 HG SER A 47 5.855 -4.394 -9.001 1.00 0.00 H new ATOM 704 N THR A 48 3.770 -0.813 -8.219 1.00 0.00 N ATOM 705 CA THR A 48 3.374 0.121 -9.266 1.00 0.00 C ATOM 706 C THR A 48 4.504 0.337 -10.266 1.00 0.00 C ATOM 707 O THR A 48 5.658 0.010 -9.993 1.00 0.00 O ATOM 708 CB THR A 48 2.958 1.482 -8.677 1.00 0.00 C ATOM 709 OG1 THR A 48 4.114 2.191 -8.217 1.00 0.00 O ATOM 710 CG2 THR A 48 1.980 1.298 -7.526 1.00 0.00 C ATOM 0 H THR A 48 4.481 -0.456 -7.581 1.00 0.00 H new ATOM 0 HA THR A 48 2.519 -0.322 -9.778 1.00 0.00 H new ATOM 0 HB THR A 48 2.467 2.057 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.501 1.722 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.701 2.273 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.088 0.784 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.449 0.705 -6.741 1.00 0.00 H new ATOM 718 N SER A 49 4.163 0.891 -11.426 1.00 0.00 N ATOM 719 CA SER A 49 5.149 1.148 -12.469 1.00 0.00 C ATOM 720 C SER A 49 6.318 1.962 -11.922 1.00 0.00 C ATOM 721 O SER A 49 7.444 1.854 -12.407 1.00 0.00 O ATOM 722 CB SER A 49 4.502 1.887 -13.641 1.00 0.00 C ATOM 723 OG SER A 49 3.996 3.146 -13.234 1.00 0.00 O ATOM 0 H SER A 49 3.212 1.170 -11.667 1.00 0.00 H new ATOM 0 HA SER A 49 5.529 0.189 -12.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.235 2.026 -14.436 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.694 1.283 -14.054 1.00 0.00 H new ATOM 0 HG SER A 49 3.589 3.599 -14.002 1.00 0.00 H new ATOM 729 N GLU A 50 6.041 2.778 -10.910 1.00 0.00 N ATOM 730 CA GLU A 50 7.069 3.612 -10.298 1.00 0.00 C ATOM 731 C GLU A 50 7.893 2.810 -9.295 1.00 0.00 C ATOM 732 O GLU A 50 9.074 2.547 -9.517 1.00 0.00 O ATOM 733 CB GLU A 50 6.432 4.818 -9.604 1.00 0.00 C ATOM 734 CG GLU A 50 5.933 5.881 -10.568 1.00 0.00 C ATOM 735 CD GLU A 50 7.064 6.635 -11.241 1.00 0.00 C ATOM 736 OE1 GLU A 50 8.176 6.664 -10.675 1.00 0.00 O ATOM 737 OE2 GLU A 50 6.836 7.195 -12.334 1.00 0.00 O ATOM 0 H GLU A 50 5.114 2.879 -10.497 1.00 0.00 H new ATOM 0 HA GLU A 50 7.733 3.965 -11.087 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.598 4.475 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.162 5.265 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.310 5.412 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.301 6.587 -10.029 1.00 0.00 H new ATOM 744 N GLU A 51 7.261 2.427 -8.190 1.00 0.00 N ATOM 745 CA GLU A 51 7.936 1.657 -7.152 1.00 0.00 C ATOM 746 C GLU A 51 6.950 0.758 -6.413 1.00 0.00 C ATOM 747 O GLU A 51 5.757 0.749 -6.714 1.00 0.00 O ATOM 748 CB GLU A 51 8.630 2.594 -6.161 1.00 0.00 C ATOM 749 CG GLU A 51 9.861 3.280 -6.731 1.00 0.00 C ATOM 750 CD GLU A 51 10.875 2.295 -7.281 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.987 1.185 -6.720 1.00 0.00 O ATOM 752 OE2 GLU A 51 11.556 2.635 -8.270 1.00 0.00 O ATOM 0 H GLU A 51 6.283 2.637 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 51 8.685 1.028 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.920 3.354 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.918 2.025 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.557 3.964 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.330 3.882 -5.953 1.00 0.00 H new ATOM 759 N GLN A 52 7.458 0.002 -5.445 1.00 0.00 N ATOM 760 CA GLN A 52 6.623 -0.902 -4.663 1.00 0.00 C ATOM 761 C GLN A 52 6.597 -0.488 -3.196 1.00 0.00 C ATOM 762 O GLN A 52 7.557 0.089 -2.686 1.00 0.00 O ATOM 763 CB GLN A 52 7.131 -2.339 -4.791 1.00 0.00 C ATOM 764 CG GLN A 52 7.451 -2.746 -6.221 1.00 0.00 C ATOM 765 CD GLN A 52 7.764 -4.224 -6.350 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.469 -5.014 -5.453 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.364 -4.606 -7.472 1.00 0.00 N ATOM 0 H GLN A 52 8.444 -0.002 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 52 5.607 -0.847 -5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.026 -2.455 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.380 -3.018 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.605 -2.500 -6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.302 -2.166 -6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.590 -3.917 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.598 -5.588 -7.616 1.00 0.00 H new ATOM 776 N GLY A 53 5.491 -0.786 -2.521 1.00 0.00 N ATOM 777 CA GLY A 53 5.360 -0.437 -1.118 1.00 0.00 C ATOM 778 C GLY A 53 4.272 -1.229 -0.422 1.00 0.00 C ATOM 779 O GLY A 53 3.477 -1.909 -1.072 1.00 0.00 O ATOM 0 H GLY A 53 4.683 -1.263 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.310 -0.611 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.142 0.627 -1.031 1.00 0.00 H new ATOM 783 N TRP A 54 4.236 -1.144 0.902 1.00 0.00 N ATOM 784 CA TRP A 54 3.237 -1.861 1.687 1.00 0.00 C ATOM 785 C TRP A 54 2.096 -0.935 2.093 1.00 0.00 C ATOM 786 O TRP A 54 2.292 0.008 2.860 1.00 0.00 O ATOM 787 CB TRP A 54 3.881 -2.474 2.933 1.00 0.00 C ATOM 788 CG TRP A 54 4.703 -3.692 2.638 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.002 -3.722 2.218 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.280 -5.056 2.741 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.412 -5.023 2.053 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.375 -5.860 2.368 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.085 -5.676 3.113 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.307 -7.251 2.356 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.019 -7.056 3.100 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.124 -7.832 2.725 1.00 0.00 C ATOM 0 H TRP A 54 4.886 -0.586 1.455 1.00 0.00 H new ATOM 0 HA TRP A 54 2.829 -2.659 1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.512 -1.726 3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.099 -2.736 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.616 -2.852 2.042 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.339 -5.318 1.746 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.228 -5.087 3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.158 -7.850 2.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.099 -7.546 3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.041 -8.909 2.727 1.00 0.00 H new ATOM 807 N VAL A 55 0.904 -1.209 1.573 1.00 0.00 N ATOM 808 CA VAL A 55 -0.269 -0.400 1.883 1.00 0.00 C ATOM 809 C VAL A 55 -1.407 -1.264 2.416 1.00 0.00 C ATOM 810 O VAL A 55 -1.481 -2.466 2.158 1.00 0.00 O ATOM 811 CB VAL A 55 -0.762 0.371 0.644 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.118 1.585 0.386 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.796 -0.541 -0.572 1.00 0.00 C ATOM 0 H VAL A 55 0.725 -1.985 0.935 1.00 0.00 H new ATOM 0 HA VAL A 55 0.032 0.313 2.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.776 0.721 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.245 2.117 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.086 2.248 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.144 1.261 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.147 0.020 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.206 -0.923 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.472 -1.375 -0.382 1.00 0.00 H new ATOM 823 N PRO A 56 -2.317 -0.639 3.178 1.00 0.00 N ATOM 824 CA PRO A 56 -3.469 -1.332 3.762 1.00 0.00 C ATOM 825 C PRO A 56 -4.492 -1.747 2.710 1.00 0.00 C ATOM 826 O PRO A 56 -4.836 -0.966 1.823 1.00 0.00 O ATOM 827 CB PRO A 56 -4.069 -0.287 4.707 1.00 0.00 C ATOM 828 CG PRO A 56 -3.645 1.024 4.141 1.00 0.00 C ATOM 829 CD PRO A 56 -2.292 0.791 3.526 1.00 0.00 C ATOM 0 HA PRO A 56 -3.179 -2.259 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.155 -0.368 4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.701 -0.416 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.358 1.376 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.594 1.787 4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.137 1.416 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.488 1.020 4.225 1.00 0.00 H new ATOM 837 N ALA A 57 -4.974 -2.981 2.815 1.00 0.00 N ATOM 838 CA ALA A 57 -5.959 -3.499 1.873 1.00 0.00 C ATOM 839 C ALA A 57 -7.193 -2.605 1.823 1.00 0.00 C ATOM 840 O ALA A 57 -7.905 -2.567 0.819 1.00 0.00 O ATOM 841 CB ALA A 57 -6.349 -4.921 2.247 1.00 0.00 C ATOM 0 H ALA A 57 -4.699 -3.641 3.543 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.508 -3.507 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.085 -5.296 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.465 -5.559 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.777 -4.929 3.250 1.00 0.00 H new ATOM 847 N THR A 58 -7.442 -1.886 2.913 1.00 0.00 N ATOM 848 CA THR A 58 -8.592 -0.994 2.994 1.00 0.00 C ATOM 849 C THR A 58 -8.575 0.029 1.864 1.00 0.00 C ATOM 850 O THR A 58 -9.619 0.543 1.463 1.00 0.00 O ATOM 851 CB THR A 58 -8.632 -0.251 4.343 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.354 0.332 4.620 1.00 0.00 O ATOM 853 CG2 THR A 58 -9.020 -1.196 5.470 1.00 0.00 C ATOM 0 H THR A 58 -6.862 -1.904 3.752 1.00 0.00 H new ATOM 0 HA THR A 58 -9.482 -1.617 2.903 1.00 0.00 H new ATOM 0 HB THR A 58 -9.383 0.537 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.389 0.804 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.042 -0.649 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.007 -1.614 5.271 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.290 -2.003 5.536 1.00 0.00 H new ATOM 861 N TYR A 59 -7.384 0.319 1.353 1.00 0.00 N ATOM 862 CA TYR A 59 -7.231 1.282 0.269 1.00 0.00 C ATOM 863 C TYR A 59 -7.171 0.577 -1.082 1.00 0.00 C ATOM 864 O TYR A 59 -6.544 1.065 -2.024 1.00 0.00 O ATOM 865 CB TYR A 59 -5.967 2.119 0.476 1.00 0.00 C ATOM 866 CG TYR A 59 -6.140 3.237 1.480 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.350 2.963 2.826 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.093 4.568 1.082 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.508 3.981 3.746 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.250 5.592 1.995 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.457 5.294 3.326 1.00 0.00 C ATOM 872 OH TYR A 59 -6.614 6.311 4.239 1.00 0.00 O ATOM 0 H TYR A 59 -6.510 -0.099 1.672 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.100 1.940 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.159 1.466 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.662 2.544 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.390 1.936 3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.931 4.805 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.671 3.750 4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.211 6.621 1.669 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.550 7.175 3.781 1.00 0.00 H new ATOM 882 N LEU A 60 -7.827 -0.575 -1.170 1.00 0.00 N ATOM 883 CA LEU A 60 -7.850 -1.350 -2.406 1.00 0.00 C ATOM 884 C LEU A 60 -9.214 -2.001 -2.615 1.00 0.00 C ATOM 885 O LEU A 60 -9.950 -2.240 -1.660 1.00 0.00 O ATOM 886 CB LEU A 60 -6.759 -2.422 -2.380 1.00 0.00 C ATOM 887 CG LEU A 60 -5.367 -1.953 -1.956 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.465 -3.144 -1.675 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.756 -1.060 -3.027 1.00 0.00 C ATOM 0 H LEU A 60 -8.350 -0.993 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.662 -0.669 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.074 -3.217 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.685 -2.861 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.464 -1.372 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.479 -2.791 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.895 -3.745 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.374 -3.752 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.765 -0.735 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.673 -1.616 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.392 -0.188 -3.180 1.00 0.00 H new ATOM 901 N GLU A 61 -9.541 -2.286 -3.872 1.00 0.00 N ATOM 902 CA GLU A 61 -10.816 -2.911 -4.205 1.00 0.00 C ATOM 903 C GLU A 61 -10.689 -3.769 -5.461 1.00 0.00 C ATOM 904 O GLU A 61 -10.290 -3.285 -6.519 1.00 0.00 O ATOM 905 CB GLU A 61 -11.893 -1.844 -4.410 1.00 0.00 C ATOM 906 CG GLU A 61 -13.294 -2.415 -4.558 1.00 0.00 C ATOM 907 CD GLU A 61 -14.373 -1.364 -4.380 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.166 -0.430 -3.579 1.00 0.00 O ATOM 909 OE2 GLU A 61 -15.426 -1.478 -5.043 1.00 0.00 O ATOM 0 H GLU A 61 -8.942 -2.094 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.105 -3.554 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.877 -1.156 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.651 -1.261 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.395 -2.871 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.439 -3.207 -3.824 1.00 0.00 H new ATOM 916 N ALA A 62 -11.030 -5.047 -5.333 1.00 0.00 N ATOM 917 CA ALA A 62 -10.957 -5.974 -6.456 1.00 0.00 C ATOM 918 C ALA A 62 -11.752 -5.455 -7.649 1.00 0.00 C ATOM 919 O ALA A 62 -12.982 -5.429 -7.621 1.00 0.00 O ATOM 920 CB ALA A 62 -11.460 -7.348 -6.041 1.00 0.00 C ATOM 0 H ALA A 62 -11.360 -5.464 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.913 -6.058 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.399 -8.029 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.846 -7.729 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.496 -7.272 -5.710 1.00 0.00 H new ATOM 926 N GLN A 63 -11.042 -5.041 -8.694 1.00 0.00 N ATOM 927 CA GLN A 63 -11.684 -4.522 -9.895 1.00 0.00 C ATOM 928 C GLN A 63 -12.736 -5.496 -10.416 1.00 0.00 C ATOM 929 O GLN A 63 -12.411 -6.598 -10.856 1.00 0.00 O ATOM 930 CB GLN A 63 -10.640 -4.252 -10.980 1.00 0.00 C ATOM 931 CG GLN A 63 -10.902 -2.984 -11.775 1.00 0.00 C ATOM 932 CD GLN A 63 -10.455 -3.097 -13.219 1.00 0.00 C ATOM 933 OE1 GLN A 63 -11.247 -3.426 -14.103 1.00 0.00 O ATOM 934 NE2 GLN A 63 -9.179 -2.823 -13.467 1.00 0.00 N ATOM 0 H GLN A 63 -10.023 -5.055 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.180 -3.586 -9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.656 -4.183 -10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.611 -5.100 -11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.967 -2.755 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.383 -2.150 -11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.558 -2.554 -12.704 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.821 -2.881 -14.420 1.00 0.00 H new ATOM 943 N ASN A 64 -13.997 -5.082 -10.361 1.00 0.00 N ATOM 944 CA ASN A 64 -15.098 -5.918 -10.825 1.00 0.00 C ATOM 945 C ASN A 64 -15.096 -6.023 -12.348 1.00 0.00 C ATOM 946 O ASN A 64 -14.626 -5.121 -13.041 1.00 0.00 O ATOM 947 CB ASN A 64 -16.435 -5.353 -10.343 1.00 0.00 C ATOM 948 CG ASN A 64 -17.565 -6.357 -10.466 1.00 0.00 C ATOM 949 OD1 ASN A 64 -18.547 -6.121 -11.170 1.00 0.00 O ATOM 950 ND2 ASN A 64 -17.431 -7.485 -9.778 1.00 0.00 N ATOM 0 H ASN A 64 -14.282 -4.172 -9.999 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.963 -6.916 -10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.341 -5.042 -9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.680 -4.462 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -18.159 -8.198 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.600 -7.638 -9.207 1.00 0.00 H new ATOM 957 N SER A 65 -15.625 -7.129 -12.860 1.00 0.00 N ATOM 958 CA SER A 65 -15.682 -7.354 -14.300 1.00 0.00 C ATOM 959 C SER A 65 -14.294 -7.241 -14.922 1.00 0.00 C ATOM 960 O SER A 65 -14.129 -6.667 -15.998 1.00 0.00 O ATOM 961 CB SER A 65 -16.631 -6.350 -14.956 1.00 0.00 C ATOM 962 OG SER A 65 -17.245 -6.905 -16.107 1.00 0.00 O ATOM 0 H SER A 65 -16.020 -7.884 -12.299 1.00 0.00 H new ATOM 0 HA SER A 65 -16.057 -8.363 -14.472 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.397 -6.048 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.080 -5.451 -15.232 1.00 0.00 H new ATOM 0 HG SER A 65 -17.848 -6.244 -16.507 1.00 0.00 H new ATOM 968 N GLY A 66 -13.298 -7.793 -14.237 1.00 0.00 N ATOM 969 CA GLY A 66 -11.936 -7.744 -14.737 1.00 0.00 C ATOM 970 C GLY A 66 -10.975 -8.545 -13.881 1.00 0.00 C ATOM 971 O GLY A 66 -10.106 -7.994 -13.204 1.00 0.00 O ATOM 0 H GLY A 66 -13.409 -8.274 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.913 -8.126 -15.758 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.604 -6.707 -14.777 1.00 0.00 H new ATOM 975 N PRO A 67 -11.127 -9.877 -13.902 1.00 0.00 N ATOM 976 CA PRO A 67 -10.275 -10.784 -13.126 1.00 0.00 C ATOM 977 C PRO A 67 -8.848 -10.839 -13.662 1.00 0.00 C ATOM 978 O PRO A 67 -8.518 -10.174 -14.644 1.00 0.00 O ATOM 979 CB PRO A 67 -10.961 -12.142 -13.289 1.00 0.00 C ATOM 980 CG PRO A 67 -11.707 -12.038 -14.574 1.00 0.00 C ATOM 981 CD PRO A 67 -12.141 -10.602 -14.685 1.00 0.00 C ATOM 0 HA PRO A 67 -10.176 -10.463 -12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.233 -12.952 -13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.634 -12.348 -12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.075 -12.321 -15.416 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.567 -12.707 -14.581 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.162 -10.268 -15.722 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.143 -10.453 -14.282 1.00 0.00 H new ATOM 989 N SER A 68 -8.007 -11.637 -13.012 1.00 0.00 N ATOM 990 CA SER A 68 -6.615 -11.777 -13.422 1.00 0.00 C ATOM 991 C SER A 68 -6.328 -13.198 -13.898 1.00 0.00 C ATOM 992 O SER A 68 -6.939 -14.157 -13.426 1.00 0.00 O ATOM 993 CB SER A 68 -5.682 -11.416 -12.264 1.00 0.00 C ATOM 994 OG SER A 68 -5.825 -12.330 -11.191 1.00 0.00 O ATOM 0 H SER A 68 -8.266 -12.196 -12.199 1.00 0.00 H new ATOM 0 HA SER A 68 -6.436 -11.093 -14.251 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.649 -11.417 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.901 -10.406 -11.917 1.00 0.00 H new ATOM 0 HG SER A 68 -4.974 -12.408 -10.712 1.00 0.00 H new ATOM 1000 N SER A 69 -5.395 -13.324 -14.835 1.00 0.00 N ATOM 1001 CA SER A 69 -5.029 -14.627 -15.378 1.00 0.00 C ATOM 1002 C SER A 69 -3.629 -15.030 -14.927 1.00 0.00 C ATOM 1003 O SER A 69 -2.829 -14.189 -14.520 1.00 0.00 O ATOM 1004 CB SER A 69 -5.097 -14.603 -16.907 1.00 0.00 C ATOM 1005 OG SER A 69 -4.988 -15.911 -17.443 1.00 0.00 O ATOM 0 H SER A 69 -4.879 -12.540 -15.234 1.00 0.00 H new ATOM 0 HA SER A 69 -5.739 -15.363 -15.001 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.038 -14.153 -17.225 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.296 -13.978 -17.300 1.00 0.00 H new ATOM 0 HG SER A 69 -5.036 -15.869 -18.421 1.00 0.00 H new ATOM 1011 N GLY A 70 -3.339 -16.326 -15.002 1.00 0.00 N ATOM 1012 CA GLY A 70 -2.036 -16.820 -14.598 1.00 0.00 C ATOM 1013 C GLY A 70 -1.989 -18.332 -14.514 1.00 0.00 C ATOM 1014 O GLY A 70 -1.971 -19.017 -15.536 1.00 0.00 O ATOM 0 H GLY A 70 -3.984 -17.042 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.284 -16.475 -15.308 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.776 -16.397 -13.628 1.00 0.00 H new TER 1018 GLY A 70