USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=20 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= -0.103 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.988 K(o=-1.1,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.876 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00136 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 -131:sc= 0.647! USER MOD Single : A 16 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.015) USER MOD Single : A 17 TYR OH : rot 139:sc= 0.213 USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc=-0.00678 (180deg=-0.146) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -59:sc= 0.266 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -50:sc= 1.28 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.36) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.104 -14.232 -18.131 1.00 0.00 N ATOM 2 CA GLY A 1 13.210 -14.795 -18.882 1.00 0.00 C ATOM 3 C GLY A 1 12.836 -16.086 -19.585 1.00 0.00 C ATOM 4 O GLY A 1 12.249 -16.064 -20.666 1.00 0.00 O ATOM 0 H1 GLY A 1 12.410 -13.352 -17.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.314 -14.028 -18.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.794 -14.912 -17.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.551 -14.069 -19.620 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.046 -14.981 -18.208 1.00 0.00 H new ATOM 8 N SER A 2 13.179 -17.213 -18.969 1.00 0.00 N ATOM 9 CA SER A 2 12.880 -18.519 -19.545 1.00 0.00 C ATOM 10 C SER A 2 11.706 -19.175 -18.824 1.00 0.00 C ATOM 11 O SER A 2 11.823 -19.583 -17.669 1.00 0.00 O ATOM 12 CB SER A 2 14.110 -19.426 -19.471 1.00 0.00 C ATOM 13 OG SER A 2 14.488 -19.664 -18.126 1.00 0.00 O ATOM 0 H SER A 2 13.664 -17.248 -18.072 1.00 0.00 H new ATOM 0 HA SER A 2 12.607 -18.374 -20.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.897 -20.374 -19.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.939 -18.965 -20.009 1.00 0.00 H new ATOM 0 HG SER A 2 13.687 -19.706 -17.564 1.00 0.00 H new ATOM 19 N SER A 3 10.576 -19.273 -19.516 1.00 0.00 N ATOM 20 CA SER A 3 9.378 -19.876 -18.942 1.00 0.00 C ATOM 21 C SER A 3 8.980 -19.169 -17.650 1.00 0.00 C ATOM 22 O SER A 3 8.741 -19.808 -16.627 1.00 0.00 O ATOM 23 CB SER A 3 9.610 -21.364 -18.671 1.00 0.00 C ATOM 24 OG SER A 3 10.358 -21.962 -19.716 1.00 0.00 O ATOM 0 H SER A 3 10.464 -18.943 -20.475 1.00 0.00 H new ATOM 0 HA SER A 3 8.566 -19.767 -19.661 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.138 -21.487 -17.725 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.651 -21.872 -18.569 1.00 0.00 H new ATOM 0 HG SER A 3 10.494 -22.912 -19.518 1.00 0.00 H new ATOM 30 N GLY A 4 8.911 -17.842 -17.707 1.00 0.00 N ATOM 31 CA GLY A 4 8.541 -17.068 -16.536 1.00 0.00 C ATOM 32 C GLY A 4 7.132 -16.517 -16.626 1.00 0.00 C ATOM 33 O GLY A 4 6.923 -15.406 -17.111 1.00 0.00 O ATOM 0 H GLY A 4 9.105 -17.290 -18.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.627 -17.695 -15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.243 -16.243 -16.413 1.00 0.00 H new ATOM 37 N SER A 5 6.163 -17.298 -16.158 1.00 0.00 N ATOM 38 CA SER A 5 4.765 -16.884 -16.193 1.00 0.00 C ATOM 39 C SER A 5 4.386 -16.140 -14.916 1.00 0.00 C ATOM 40 O SER A 5 4.994 -16.340 -13.865 1.00 0.00 O ATOM 41 CB SER A 5 3.855 -18.100 -16.377 1.00 0.00 C ATOM 42 OG SER A 5 2.489 -17.731 -16.303 1.00 0.00 O ATOM 0 H SER A 5 6.320 -18.220 -15.751 1.00 0.00 H new ATOM 0 HA SER A 5 4.633 -16.209 -17.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.057 -18.567 -17.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.076 -18.843 -15.611 1.00 0.00 H new ATOM 0 HG SER A 5 1.928 -18.525 -16.425 1.00 0.00 H new ATOM 48 N SER A 6 3.378 -15.280 -15.017 1.00 0.00 N ATOM 49 CA SER A 6 2.920 -14.502 -13.872 1.00 0.00 C ATOM 50 C SER A 6 1.397 -14.416 -13.848 1.00 0.00 C ATOM 51 O SER A 6 0.735 -14.638 -14.861 1.00 0.00 O ATOM 52 CB SER A 6 3.520 -13.095 -13.911 1.00 0.00 C ATOM 53 OG SER A 6 4.922 -13.133 -13.706 1.00 0.00 O ATOM 0 H SER A 6 2.863 -15.104 -15.880 1.00 0.00 H new ATOM 0 HA SER A 6 3.253 -15.007 -12.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.302 -12.630 -14.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.054 -12.476 -13.145 1.00 0.00 H new ATOM 0 HG SER A 6 5.282 -12.222 -13.737 1.00 0.00 H new ATOM 59 N GLY A 7 0.847 -14.092 -12.681 1.00 0.00 N ATOM 60 CA GLY A 7 -0.594 -13.983 -12.545 1.00 0.00 C ATOM 61 C GLY A 7 -1.003 -13.260 -11.277 1.00 0.00 C ATOM 62 O GLY A 7 -1.504 -13.878 -10.336 1.00 0.00 O ATOM 0 H GLY A 7 1.374 -13.903 -11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.998 -13.454 -13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.033 -14.981 -12.548 1.00 0.00 H new ATOM 66 N LEU A 8 -0.789 -11.950 -11.249 1.00 0.00 N ATOM 67 CA LEU A 8 -1.138 -11.142 -10.086 1.00 0.00 C ATOM 68 C LEU A 8 -2.480 -10.445 -10.289 1.00 0.00 C ATOM 69 O LEU A 8 -2.854 -10.116 -11.414 1.00 0.00 O ATOM 70 CB LEU A 8 -0.048 -10.104 -9.815 1.00 0.00 C ATOM 71 CG LEU A 8 1.380 -10.642 -9.716 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.385 -9.502 -9.777 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.560 -11.445 -8.436 1.00 0.00 C ATOM 0 H LEU A 8 -0.375 -11.424 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.221 -11.806 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.080 -9.357 -10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.287 -9.590 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 8 1.558 -11.303 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.396 -9.904 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.273 -8.968 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.208 -8.816 -8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.582 -11.820 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.362 -10.806 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.865 -12.285 -8.432 1.00 0.00 H new ATOM 85 N GLU A 9 -3.197 -10.222 -9.192 1.00 0.00 N ATOM 86 CA GLU A 9 -4.497 -9.563 -9.251 1.00 0.00 C ATOM 87 C GLU A 9 -4.342 -8.047 -9.162 1.00 0.00 C ATOM 88 O GLU A 9 -3.855 -7.521 -8.162 1.00 0.00 O ATOM 89 CB GLU A 9 -5.399 -10.062 -8.121 1.00 0.00 C ATOM 90 CG GLU A 9 -5.676 -11.555 -8.178 1.00 0.00 C ATOM 91 CD GLU A 9 -6.034 -12.134 -6.823 1.00 0.00 C ATOM 92 OE1 GLU A 9 -7.071 -11.726 -6.259 1.00 0.00 O ATOM 93 OE2 GLU A 9 -5.278 -12.994 -6.326 1.00 0.00 O ATOM 0 H GLU A 9 -2.900 -10.487 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.957 -9.809 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.934 -9.823 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.346 -9.524 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.492 -11.743 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.798 -12.069 -8.568 1.00 0.00 H new ATOM 100 N GLN A 10 -4.761 -7.353 -10.215 1.00 0.00 N ATOM 101 CA GLN A 10 -4.668 -5.898 -10.256 1.00 0.00 C ATOM 102 C GLN A 10 -5.827 -5.257 -9.500 1.00 0.00 C ATOM 103 O GLN A 10 -6.992 -5.449 -9.850 1.00 0.00 O ATOM 104 CB GLN A 10 -4.655 -5.407 -11.705 1.00 0.00 C ATOM 105 CG GLN A 10 -3.539 -6.011 -12.541 1.00 0.00 C ATOM 106 CD GLN A 10 -3.818 -5.934 -14.030 1.00 0.00 C ATOM 107 OE1 GLN A 10 -3.815 -6.949 -14.727 1.00 0.00 O ATOM 108 NE2 GLN A 10 -4.061 -4.726 -14.525 1.00 0.00 N ATOM 0 H GLN A 10 -5.168 -7.774 -11.050 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.736 -5.605 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.613 -5.642 -12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.556 -4.322 -11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.605 -5.493 -12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.399 -7.053 -12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.053 -3.912 -13.910 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.255 -4.612 -15.520 1.00 0.00 H new ATOM 117 N TYR A 11 -5.500 -4.495 -8.462 1.00 0.00 N ATOM 118 CA TYR A 11 -6.515 -3.828 -7.654 1.00 0.00 C ATOM 119 C TYR A 11 -6.529 -2.328 -7.929 1.00 0.00 C ATOM 120 O TYR A 11 -5.519 -1.748 -8.328 1.00 0.00 O ATOM 121 CB TYR A 11 -6.262 -4.083 -6.167 1.00 0.00 C ATOM 122 CG TYR A 11 -6.963 -5.313 -5.636 1.00 0.00 C ATOM 123 CD1 TYR A 11 -6.677 -6.574 -6.145 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.912 -5.214 -4.627 1.00 0.00 C ATOM 125 CE1 TYR A 11 -7.315 -7.701 -5.664 1.00 0.00 C ATOM 126 CE2 TYR A 11 -8.554 -6.335 -4.138 1.00 0.00 C ATOM 127 CZ TYR A 11 -8.253 -7.576 -4.660 1.00 0.00 C ATOM 128 OH TYR A 11 -8.892 -8.695 -4.177 1.00 0.00 O ATOM 0 H TYR A 11 -4.541 -4.324 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.488 -4.239 -7.925 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.190 -4.187 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.590 -3.214 -5.597 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.943 -6.675 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.152 -4.244 -4.218 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.081 -8.674 -6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.288 -6.240 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.521 -8.434 -3.472 1.00 0.00 H new ATOM 138 N VAL A 12 -7.683 -1.704 -7.711 1.00 0.00 N ATOM 139 CA VAL A 12 -7.831 -0.270 -7.933 1.00 0.00 C ATOM 140 C VAL A 12 -7.910 0.485 -6.611 1.00 0.00 C ATOM 141 O VAL A 12 -8.552 0.033 -5.662 1.00 0.00 O ATOM 142 CB VAL A 12 -9.088 0.042 -8.766 1.00 0.00 C ATOM 143 CG1 VAL A 12 -10.343 -0.391 -8.022 1.00 0.00 C ATOM 144 CG2 VAL A 12 -9.146 1.523 -9.108 1.00 0.00 C ATOM 0 H VAL A 12 -8.529 -2.169 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.949 0.058 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.034 -0.521 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.221 -0.163 -8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.302 -1.464 -7.833 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.406 0.143 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.041 1.726 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.177 2.108 -8.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.262 1.798 -9.684 1.00 0.00 H new ATOM 154 N VAL A 13 -7.252 1.639 -6.555 1.00 0.00 N ATOM 155 CA VAL A 13 -7.249 2.459 -5.349 1.00 0.00 C ATOM 156 C VAL A 13 -8.612 3.103 -5.119 1.00 0.00 C ATOM 157 O VAL A 13 -9.326 3.425 -6.068 1.00 0.00 O ATOM 158 CB VAL A 13 -6.178 3.563 -5.424 1.00 0.00 C ATOM 159 CG1 VAL A 13 -6.105 4.327 -4.111 1.00 0.00 C ATOM 160 CG2 VAL A 13 -4.824 2.968 -5.780 1.00 0.00 C ATOM 0 H VAL A 13 -6.715 2.027 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.019 1.796 -4.515 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.459 4.265 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.343 5.103 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.071 4.786 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.848 3.640 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.079 3.762 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.533 2.244 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.888 2.471 -6.748 1.00 0.00 H new ATOM 170 N VAL A 14 -8.966 3.288 -3.851 1.00 0.00 N ATOM 171 CA VAL A 14 -10.243 3.896 -3.495 1.00 0.00 C ATOM 172 C VAL A 14 -10.039 5.247 -2.819 1.00 0.00 C ATOM 173 O VAL A 14 -10.849 6.160 -2.976 1.00 0.00 O ATOM 174 CB VAL A 14 -11.057 2.983 -2.559 1.00 0.00 C ATOM 175 CG1 VAL A 14 -11.540 1.748 -3.304 1.00 0.00 C ATOM 176 CG2 VAL A 14 -10.229 2.592 -1.344 1.00 0.00 C ATOM 0 H VAL A 14 -8.387 3.026 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.796 4.038 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.931 3.534 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.113 1.115 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.172 2.051 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.682 1.192 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.820 1.947 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.335 2.059 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.938 3.489 -0.798 1.00 0.00 H new ATOM 186 N SER A 15 -8.950 5.367 -2.066 1.00 0.00 N ATOM 187 CA SER A 15 -8.640 6.606 -1.362 1.00 0.00 C ATOM 188 C SER A 15 -7.193 7.024 -1.607 1.00 0.00 C ATOM 189 O SER A 15 -6.335 6.189 -1.889 1.00 0.00 O ATOM 190 CB SER A 15 -8.888 6.441 0.138 1.00 0.00 C ATOM 191 OG SER A 15 -8.260 7.476 0.876 1.00 0.00 O ATOM 0 H SER A 15 -8.268 4.621 -1.928 1.00 0.00 H new ATOM 0 HA SER A 15 -9.295 7.387 -1.748 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.960 6.448 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.510 5.474 0.468 1.00 0.00 H new ATOM 0 HG SER A 15 -7.747 7.086 1.615 1.00 0.00 H new ATOM 197 N ASN A 16 -6.932 8.322 -1.498 1.00 0.00 N ATOM 198 CA ASN A 16 -5.589 8.852 -1.708 1.00 0.00 C ATOM 199 C ASN A 16 -4.710 8.605 -0.486 1.00 0.00 C ATOM 200 O ASN A 16 -4.992 9.099 0.605 1.00 0.00 O ATOM 201 CB ASN A 16 -5.651 10.350 -2.011 1.00 0.00 C ATOM 202 CG ASN A 16 -4.277 10.955 -2.223 1.00 0.00 C ATOM 203 OD1 ASN A 16 -3.675 11.497 -1.296 1.00 0.00 O ATOM 204 ND2 ASN A 16 -3.773 10.863 -3.448 1.00 0.00 N ATOM 0 H ASN A 16 -7.632 9.027 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.150 8.334 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.258 10.513 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.148 10.864 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.851 11.250 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.307 10.405 -4.186 1.00 0.00 H new ATOM 211 N TYR A 17 -3.643 7.837 -0.678 1.00 0.00 N ATOM 212 CA TYR A 17 -2.722 7.522 0.408 1.00 0.00 C ATOM 213 C TYR A 17 -1.634 8.586 0.525 1.00 0.00 C ATOM 214 O TYR A 17 -1.369 9.327 -0.421 1.00 0.00 O ATOM 215 CB TYR A 17 -2.087 6.149 0.185 1.00 0.00 C ATOM 216 CG TYR A 17 -1.548 5.518 1.449 1.00 0.00 C ATOM 217 CD1 TYR A 17 -2.388 4.832 2.318 1.00 0.00 C ATOM 218 CD2 TYR A 17 -0.201 5.609 1.775 1.00 0.00 C ATOM 219 CE1 TYR A 17 -1.900 4.254 3.474 1.00 0.00 C ATOM 220 CE2 TYR A 17 0.295 5.034 2.928 1.00 0.00 C ATOM 221 CZ TYR A 17 -0.558 4.357 3.775 1.00 0.00 C ATOM 222 OH TYR A 17 -0.068 3.784 4.926 1.00 0.00 O ATOM 0 H TYR A 17 -3.394 7.421 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.290 7.505 1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.828 5.483 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.276 6.246 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.440 4.749 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.470 6.139 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.566 3.724 4.139 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.345 5.114 3.166 1.00 0.00 H new ATOM 0 HH TYR A 17 0.792 3.354 4.737 1.00 0.00 H new ATOM 232 N LYS A 18 -1.006 8.653 1.694 1.00 0.00 N ATOM 233 CA LYS A 18 0.055 9.623 1.938 1.00 0.00 C ATOM 234 C LYS A 18 1.285 8.946 2.535 1.00 0.00 C ATOM 235 O LYS A 18 1.244 8.436 3.655 1.00 0.00 O ATOM 236 CB LYS A 18 -0.439 10.725 2.878 1.00 0.00 C ATOM 237 CG LYS A 18 0.525 11.892 3.007 1.00 0.00 C ATOM 238 CD LYS A 18 0.406 12.566 4.364 1.00 0.00 C ATOM 239 CE LYS A 18 -0.741 13.565 4.391 1.00 0.00 C ATOM 240 NZ LYS A 18 -2.034 12.915 4.744 1.00 0.00 N ATOM 0 H LYS A 18 -1.214 8.047 2.488 1.00 0.00 H new ATOM 0 HA LYS A 18 0.334 10.067 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.399 11.095 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.613 10.298 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.546 11.539 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.325 12.619 2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.250 11.811 5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.340 13.076 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.521 14.351 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.829 14.043 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.733 13.104 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.893 11.889 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.380 13.298 5.647 1.00 0.00 H new ATOM 254 N LYS A 19 2.378 8.945 1.780 1.00 0.00 N ATOM 255 CA LYS A 19 3.621 8.333 2.235 1.00 0.00 C ATOM 256 C LYS A 19 4.038 8.891 3.592 1.00 0.00 C ATOM 257 O LYS A 19 3.972 10.098 3.824 1.00 0.00 O ATOM 258 CB LYS A 19 4.734 8.570 1.211 1.00 0.00 C ATOM 259 CG LYS A 19 4.917 10.031 0.839 1.00 0.00 C ATOM 260 CD LYS A 19 6.327 10.307 0.342 1.00 0.00 C ATOM 261 CE LYS A 19 6.491 9.915 -1.118 1.00 0.00 C ATOM 262 NZ LYS A 19 5.784 10.858 -2.028 1.00 0.00 N ATOM 0 H LYS A 19 2.429 9.361 0.850 1.00 0.00 H new ATOM 0 HA LYS A 19 3.452 7.261 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.672 8.185 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.514 7.999 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.198 10.304 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.706 10.657 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.556 11.366 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.043 9.755 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.551 9.892 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.105 8.907 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.119 10.717 -3.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.760 10.680 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.978 11.836 -1.733 1.00 0.00 H new ATOM 276 N GLN A 20 4.468 8.004 4.484 1.00 0.00 N ATOM 277 CA GLN A 20 4.896 8.410 5.818 1.00 0.00 C ATOM 278 C GLN A 20 6.224 7.757 6.185 1.00 0.00 C ATOM 279 O GLN A 20 7.119 8.409 6.722 1.00 0.00 O ATOM 280 CB GLN A 20 3.830 8.042 6.852 1.00 0.00 C ATOM 281 CG GLN A 20 2.690 9.045 6.934 1.00 0.00 C ATOM 282 CD GLN A 20 1.493 8.506 7.692 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.874 7.524 7.281 1.00 0.00 O ATOM 284 NE2 GLN A 20 1.159 9.149 8.805 1.00 0.00 N ATOM 0 H GLN A 20 4.529 7.001 4.308 1.00 0.00 H new ATOM 0 HA GLN A 20 5.032 9.491 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.423 7.061 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.300 7.958 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.045 9.954 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.382 9.323 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.700 9.959 9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.361 8.833 9.356 1.00 0.00 H new ATOM 293 N GLU A 21 6.344 6.466 5.893 1.00 0.00 N ATOM 294 CA GLU A 21 7.564 5.725 6.194 1.00 0.00 C ATOM 295 C GLU A 21 8.376 5.475 4.926 1.00 0.00 C ATOM 296 O GLU A 21 8.013 5.934 3.844 1.00 0.00 O ATOM 297 CB GLU A 21 7.225 4.393 6.867 1.00 0.00 C ATOM 298 CG GLU A 21 6.754 4.540 8.304 1.00 0.00 C ATOM 299 CD GLU A 21 7.770 5.245 9.182 1.00 0.00 C ATOM 300 OE1 GLU A 21 8.939 4.807 9.205 1.00 0.00 O ATOM 301 OE2 GLU A 21 7.396 6.234 9.846 1.00 0.00 O ATOM 0 H GLU A 21 5.612 5.912 5.449 1.00 0.00 H new ATOM 0 HA GLU A 21 8.165 6.326 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.450 3.890 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.105 3.750 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.817 5.097 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.545 3.553 8.717 1.00 0.00 H new ATOM 308 N ASN A 22 9.477 4.744 5.070 1.00 0.00 N ATOM 309 CA ASN A 22 10.341 4.434 3.938 1.00 0.00 C ATOM 310 C ASN A 22 9.703 3.378 3.040 1.00 0.00 C ATOM 311 O ASN A 22 9.950 3.342 1.834 1.00 0.00 O ATOM 312 CB ASN A 22 11.705 3.944 4.430 1.00 0.00 C ATOM 313 CG ASN A 22 12.748 3.938 3.329 1.00 0.00 C ATOM 314 OD1 ASN A 22 13.017 4.966 2.707 1.00 0.00 O ATOM 315 ND2 ASN A 22 13.342 2.776 3.084 1.00 0.00 N ATOM 0 H ASN A 22 9.791 4.356 5.959 1.00 0.00 H new ATOM 0 HA ASN A 22 10.478 5.346 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.045 4.582 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.602 2.937 4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.053 2.710 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.088 1.949 3.624 1.00 0.00 H new ATOM 322 N SER A 23 8.881 2.520 3.636 1.00 0.00 N ATOM 323 CA SER A 23 8.210 1.462 2.891 1.00 0.00 C ATOM 324 C SER A 23 6.737 1.799 2.676 1.00 0.00 C ATOM 325 O SER A 23 5.853 1.026 3.044 1.00 0.00 O ATOM 326 CB SER A 23 8.337 0.129 3.631 1.00 0.00 C ATOM 327 OG SER A 23 9.653 -0.387 3.531 1.00 0.00 O ATOM 0 H SER A 23 8.664 2.537 4.632 1.00 0.00 H new ATOM 0 HA SER A 23 8.691 1.376 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.076 0.266 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.629 -0.589 3.217 1.00 0.00 H new ATOM 0 HG SER A 23 9.708 -1.238 4.014 1.00 0.00 H new ATOM 333 N GLU A 24 6.483 2.958 2.077 1.00 0.00 N ATOM 334 CA GLU A 24 5.118 3.398 1.813 1.00 0.00 C ATOM 335 C GLU A 24 5.025 4.101 0.462 1.00 0.00 C ATOM 336 O GLU A 24 5.942 4.817 0.057 1.00 0.00 O ATOM 337 CB GLU A 24 4.638 4.336 2.923 1.00 0.00 C ATOM 338 CG GLU A 24 4.602 3.686 4.296 1.00 0.00 C ATOM 339 CD GLU A 24 3.588 2.562 4.383 1.00 0.00 C ATOM 340 OE1 GLU A 24 2.543 2.652 3.705 1.00 0.00 O ATOM 341 OE2 GLU A 24 3.840 1.592 5.128 1.00 0.00 O ATOM 0 H GLU A 24 7.204 3.609 1.766 1.00 0.00 H new ATOM 0 HA GLU A 24 4.477 2.517 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.293 5.207 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.640 4.698 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.592 3.297 4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.366 4.442 5.045 1.00 0.00 H new ATOM 348 N LEU A 25 3.911 3.892 -0.231 1.00 0.00 N ATOM 349 CA LEU A 25 3.696 4.505 -1.537 1.00 0.00 C ATOM 350 C LEU A 25 2.518 5.473 -1.497 1.00 0.00 C ATOM 351 O LEU A 25 1.480 5.179 -0.905 1.00 0.00 O ATOM 352 CB LEU A 25 3.449 3.427 -2.594 1.00 0.00 C ATOM 353 CG LEU A 25 4.695 2.742 -3.158 1.00 0.00 C ATOM 354 CD1 LEU A 25 4.305 1.657 -4.149 1.00 0.00 C ATOM 355 CD2 LEU A 25 5.612 3.763 -3.815 1.00 0.00 C ATOM 0 H LEU A 25 3.143 3.303 0.090 1.00 0.00 H new ATOM 0 HA LEU A 25 4.594 5.065 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.803 2.663 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.900 3.877 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 25 5.235 2.275 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.204 1.181 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.688 0.911 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.743 2.100 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.494 3.259 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.082 4.258 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.919 4.504 -3.077 1.00 0.00 H new ATOM 367 N SER A 26 2.686 6.628 -2.133 1.00 0.00 N ATOM 368 CA SER A 26 1.638 7.641 -2.169 1.00 0.00 C ATOM 369 C SER A 26 0.704 7.414 -3.354 1.00 0.00 C ATOM 370 O SER A 26 0.669 8.210 -4.293 1.00 0.00 O ATOM 371 CB SER A 26 2.252 9.040 -2.250 1.00 0.00 C ATOM 372 OG SER A 26 1.248 10.032 -2.365 1.00 0.00 O ATOM 0 H SER A 26 3.538 6.886 -2.631 1.00 0.00 H new ATOM 0 HA SER A 26 1.058 7.560 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.853 9.228 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.923 9.097 -3.107 1.00 0.00 H new ATOM 0 HG SER A 26 0.713 9.864 -3.169 1.00 0.00 H new ATOM 378 N LEU A 27 -0.051 6.322 -3.303 1.00 0.00 N ATOM 379 CA LEU A 27 -0.987 5.989 -4.372 1.00 0.00 C ATOM 380 C LEU A 27 -2.028 7.089 -4.547 1.00 0.00 C ATOM 381 O LEU A 27 -2.168 7.966 -3.695 1.00 0.00 O ATOM 382 CB LEU A 27 -1.679 4.658 -4.073 1.00 0.00 C ATOM 383 CG LEU A 27 -0.767 3.508 -3.644 1.00 0.00 C ATOM 384 CD1 LEU A 27 -1.564 2.221 -3.496 1.00 0.00 C ATOM 385 CD2 LEU A 27 0.365 3.324 -4.644 1.00 0.00 C ATOM 0 H LEU A 27 -0.034 5.652 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.423 5.898 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.416 4.823 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.226 4.348 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.333 3.756 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.898 1.414 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.339 2.358 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.027 1.968 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.004 2.501 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.050 3.099 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.953 4.240 -4.700 1.00 0.00 H new ATOM 397 N GLN A 28 -2.758 7.034 -5.656 1.00 0.00 N ATOM 398 CA GLN A 28 -3.789 8.026 -5.942 1.00 0.00 C ATOM 399 C GLN A 28 -5.127 7.353 -6.227 1.00 0.00 C ATOM 400 O GLN A 28 -5.175 6.246 -6.762 1.00 0.00 O ATOM 401 CB GLN A 28 -3.376 8.893 -7.133 1.00 0.00 C ATOM 402 CG GLN A 28 -4.083 10.238 -7.180 1.00 0.00 C ATOM 403 CD GLN A 28 -3.622 11.099 -8.340 1.00 0.00 C ATOM 404 OE1 GLN A 28 -2.423 11.242 -8.583 1.00 0.00 O ATOM 405 NE2 GLN A 28 -4.573 11.678 -9.063 1.00 0.00 N ATOM 0 H GLN A 28 -2.655 6.314 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.902 8.660 -5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.299 9.059 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.583 8.351 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.158 10.077 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.907 10.770 -6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.554 11.532 -8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.322 12.269 -9.856 1.00 0.00 H new ATOM 414 N ALA A 29 -6.213 8.030 -5.866 1.00 0.00 N ATOM 415 CA ALA A 29 -7.552 7.498 -6.085 1.00 0.00 C ATOM 416 C ALA A 29 -7.783 7.182 -7.558 1.00 0.00 C ATOM 417 O ALA A 29 -7.650 8.051 -8.419 1.00 0.00 O ATOM 418 CB ALA A 29 -8.599 8.483 -5.584 1.00 0.00 C ATOM 0 H ALA A 29 -6.191 8.947 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.644 6.569 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.595 8.073 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.455 8.656 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.498 9.426 -6.122 1.00 0.00 H new ATOM 424 N GLY A 30 -8.130 5.930 -7.843 1.00 0.00 N ATOM 425 CA GLY A 30 -8.373 5.521 -9.214 1.00 0.00 C ATOM 426 C GLY A 30 -7.187 4.799 -9.823 1.00 0.00 C ATOM 427 O GLY A 30 -7.333 4.070 -10.803 1.00 0.00 O ATOM 0 H GLY A 30 -8.247 5.192 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.246 4.870 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.608 6.399 -9.816 1.00 0.00 H new ATOM 431 N GLU A 31 -6.009 5.005 -9.241 1.00 0.00 N ATOM 432 CA GLU A 31 -4.793 4.370 -9.735 1.00 0.00 C ATOM 433 C GLU A 31 -4.896 2.850 -9.641 1.00 0.00 C ATOM 434 O GLU A 31 -5.651 2.317 -8.828 1.00 0.00 O ATOM 435 CB GLU A 31 -3.578 4.859 -8.944 1.00 0.00 C ATOM 436 CG GLU A 31 -2.287 4.850 -9.744 1.00 0.00 C ATOM 437 CD GLU A 31 -2.318 5.815 -10.914 1.00 0.00 C ATOM 438 OE1 GLU A 31 -2.696 6.987 -10.707 1.00 0.00 O ATOM 439 OE2 GLU A 31 -1.964 5.397 -12.036 1.00 0.00 O ATOM 0 H GLU A 31 -5.872 5.606 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.670 4.645 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.769 5.872 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.453 4.231 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.456 5.107 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.101 3.842 -10.114 1.00 0.00 H new ATOM 446 N VAL A 32 -4.132 2.158 -10.480 1.00 0.00 N ATOM 447 CA VAL A 32 -4.136 0.700 -10.493 1.00 0.00 C ATOM 448 C VAL A 32 -2.778 0.143 -10.082 1.00 0.00 C ATOM 449 O VAL A 32 -1.735 0.648 -10.499 1.00 0.00 O ATOM 450 CB VAL A 32 -4.503 0.152 -11.885 1.00 0.00 C ATOM 451 CG1 VAL A 32 -4.540 -1.369 -11.867 1.00 0.00 C ATOM 452 CG2 VAL A 32 -5.837 0.720 -12.346 1.00 0.00 C ATOM 0 H VAL A 32 -3.502 2.584 -11.160 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.890 0.379 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.736 0.465 -12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.801 -1.738 -12.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.560 -1.753 -11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.285 -1.706 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.081 0.322 -13.331 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.616 0.439 -11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.771 1.807 -12.400 1.00 0.00 H new ATOM 462 N VAL A 33 -2.797 -0.902 -9.260 1.00 0.00 N ATOM 463 CA VAL A 33 -1.567 -1.530 -8.793 1.00 0.00 C ATOM 464 C VAL A 33 -1.610 -3.040 -8.994 1.00 0.00 C ATOM 465 O VAL A 33 -2.582 -3.579 -9.525 1.00 0.00 O ATOM 466 CB VAL A 33 -1.313 -1.228 -7.304 1.00 0.00 C ATOM 467 CG1 VAL A 33 -1.285 0.273 -7.060 1.00 0.00 C ATOM 468 CG2 VAL A 33 -2.370 -1.898 -6.438 1.00 0.00 C ATOM 0 H VAL A 33 -3.651 -1.331 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.753 -1.111 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.339 -1.634 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.104 0.466 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.488 0.723 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.242 0.707 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.176 -1.675 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.356 -1.523 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.336 -2.977 -6.592 1.00 0.00 H new ATOM 478 N ASP A 34 -0.551 -3.719 -8.567 1.00 0.00 N ATOM 479 CA ASP A 34 -0.468 -5.169 -8.698 1.00 0.00 C ATOM 480 C ASP A 34 -0.122 -5.817 -7.361 1.00 0.00 C ATOM 481 O ASP A 34 1.005 -5.706 -6.878 1.00 0.00 O ATOM 482 CB ASP A 34 0.578 -5.548 -9.748 1.00 0.00 C ATOM 483 CG ASP A 34 0.030 -5.482 -11.160 1.00 0.00 C ATOM 484 OD1 ASP A 34 -0.539 -6.493 -11.623 1.00 0.00 O ATOM 485 OD2 ASP A 34 0.171 -4.421 -11.803 1.00 0.00 O ATOM 0 H ASP A 34 0.262 -3.288 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.443 -5.537 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.434 -4.879 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.940 -6.557 -9.549 1.00 0.00 H new ATOM 490 N VAL A 35 -1.100 -6.493 -6.767 1.00 0.00 N ATOM 491 CA VAL A 35 -0.900 -7.159 -5.485 1.00 0.00 C ATOM 492 C VAL A 35 0.025 -8.362 -5.630 1.00 0.00 C ATOM 493 O VAL A 35 -0.336 -9.364 -6.248 1.00 0.00 O ATOM 494 CB VAL A 35 -2.237 -7.623 -4.879 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.030 -8.149 -3.467 1.00 0.00 C ATOM 496 CG2 VAL A 35 -3.250 -6.488 -4.890 1.00 0.00 C ATOM 0 H VAL A 35 -2.039 -6.594 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.441 -6.430 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.629 -8.436 -5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.986 -8.472 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.341 -8.993 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.614 -7.359 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.189 -6.834 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.867 -5.653 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.421 -6.163 -5.916 1.00 0.00 H new ATOM 506 N ILE A 36 1.218 -8.257 -5.055 1.00 0.00 N ATOM 507 CA ILE A 36 2.195 -9.337 -5.119 1.00 0.00 C ATOM 508 C ILE A 36 2.080 -10.254 -3.906 1.00 0.00 C ATOM 509 O ILE A 36 1.957 -11.471 -4.045 1.00 0.00 O ATOM 510 CB ILE A 36 3.633 -8.792 -5.202 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.781 -7.863 -6.408 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.630 -9.939 -5.284 1.00 0.00 C ATOM 513 CD1 ILE A 36 5.072 -7.074 -6.409 1.00 0.00 C ATOM 0 H ILE A 36 1.532 -7.435 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 36 1.978 -9.905 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 36 3.841 -8.219 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.726 -8.455 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.941 -7.169 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.642 -9.538 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.538 -10.565 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.425 -10.537 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.109 -6.437 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.121 -6.455 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.918 -7.761 -6.422 1.00 0.00 H new ATOM 525 N GLU A 37 2.118 -9.661 -2.717 1.00 0.00 N ATOM 526 CA GLU A 37 2.017 -10.426 -1.479 1.00 0.00 C ATOM 527 C GLU A 37 0.913 -9.869 -0.584 1.00 0.00 C ATOM 528 O GLU A 37 0.481 -8.728 -0.749 1.00 0.00 O ATOM 529 CB GLU A 37 3.352 -10.408 -0.732 1.00 0.00 C ATOM 530 CG GLU A 37 4.284 -11.542 -1.125 1.00 0.00 C ATOM 531 CD GLU A 37 5.746 -11.195 -0.917 1.00 0.00 C ATOM 532 OE1 GLU A 37 6.155 -10.087 -1.324 1.00 0.00 O ATOM 533 OE2 GLU A 37 6.479 -12.029 -0.348 1.00 0.00 O ATOM 0 H GLU A 37 2.218 -8.655 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 37 1.767 -11.455 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.851 -9.457 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.160 -10.461 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.038 -12.428 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.120 -11.795 -2.172 1.00 0.00 H new ATOM 540 N LYS A 38 0.461 -10.683 0.364 1.00 0.00 N ATOM 541 CA LYS A 38 -0.591 -10.274 1.286 1.00 0.00 C ATOM 542 C LYS A 38 -0.242 -10.666 2.718 1.00 0.00 C ATOM 543 O LYS A 38 0.453 -11.655 2.949 1.00 0.00 O ATOM 544 CB LYS A 38 -1.925 -10.906 0.884 1.00 0.00 C ATOM 545 CG LYS A 38 -2.333 -10.604 -0.548 1.00 0.00 C ATOM 546 CD LYS A 38 -3.435 -11.537 -1.022 1.00 0.00 C ATOM 547 CE LYS A 38 -3.720 -11.354 -2.505 1.00 0.00 C ATOM 548 NZ LYS A 38 -4.595 -12.435 -3.038 1.00 0.00 N ATOM 0 H LYS A 38 0.807 -11.631 0.514 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.681 -9.189 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.860 -11.986 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.704 -10.550 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.673 -9.571 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.467 -10.701 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.146 -12.570 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.344 -11.349 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.197 -10.387 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.780 -11.342 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.766 -12.275 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.129 -13.355 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.502 -12.430 -2.529 1.00 0.00 H new ATOM 562 N ASN A 39 -0.730 -9.886 3.677 1.00 0.00 N ATOM 563 CA ASN A 39 -0.470 -10.154 5.087 1.00 0.00 C ATOM 564 C ASN A 39 -1.776 -10.295 5.863 1.00 0.00 C ATOM 565 O ASN A 39 -2.766 -9.632 5.557 1.00 0.00 O ATOM 566 CB ASN A 39 0.378 -9.033 5.692 1.00 0.00 C ATOM 567 CG ASN A 39 1.515 -9.564 6.544 1.00 0.00 C ATOM 568 OD1 ASN A 39 2.679 -9.509 6.148 1.00 0.00 O ATOM 569 ND2 ASN A 39 1.181 -10.084 7.720 1.00 0.00 N ATOM 0 H ASN A 39 -1.308 -9.063 3.504 1.00 0.00 H new ATOM 0 HA ASN A 39 0.078 -11.094 5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.785 -8.416 4.891 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.257 -8.388 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.903 -10.459 8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.203 -10.109 8.007 1.00 0.00 H new ATOM 576 N GLU A 40 -1.769 -11.164 6.870 1.00 0.00 N ATOM 577 CA GLU A 40 -2.953 -11.391 7.690 1.00 0.00 C ATOM 578 C GLU A 40 -3.392 -10.104 8.381 1.00 0.00 C ATOM 579 O GLU A 40 -4.586 -9.836 8.517 1.00 0.00 O ATOM 580 CB GLU A 40 -2.676 -12.475 8.735 1.00 0.00 C ATOM 581 CG GLU A 40 -1.580 -12.105 9.720 1.00 0.00 C ATOM 582 CD GLU A 40 -1.268 -13.225 10.693 1.00 0.00 C ATOM 583 OE1 GLU A 40 -2.073 -13.443 11.623 1.00 0.00 O ATOM 584 OE2 GLU A 40 -0.220 -13.883 10.525 1.00 0.00 O ATOM 0 H GLU A 40 -0.957 -11.721 7.137 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.758 -11.724 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.594 -12.680 9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.398 -13.397 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.676 -11.844 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.882 -11.218 10.277 1.00 0.00 H new ATOM 591 N SER A 41 -2.418 -9.310 8.816 1.00 0.00 N ATOM 592 CA SER A 41 -2.703 -8.053 9.497 1.00 0.00 C ATOM 593 C SER A 41 -3.555 -7.141 8.619 1.00 0.00 C ATOM 594 O SER A 41 -4.389 -6.385 9.116 1.00 0.00 O ATOM 595 CB SER A 41 -1.400 -7.345 9.873 1.00 0.00 C ATOM 596 OG SER A 41 -1.632 -5.983 10.189 1.00 0.00 O ATOM 0 H SER A 41 -1.425 -9.516 8.709 1.00 0.00 H new ATOM 0 HA SER A 41 -3.261 -8.279 10.406 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.943 -7.847 10.726 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.693 -7.414 9.046 1.00 0.00 H new ATOM 0 HG SER A 41 -0.784 -5.553 10.427 1.00 0.00 H new ATOM 602 N GLY A 42 -3.339 -7.219 7.310 1.00 0.00 N ATOM 603 CA GLY A 42 -4.093 -6.396 6.383 1.00 0.00 C ATOM 604 C GLY A 42 -3.200 -5.631 5.426 1.00 0.00 C ATOM 605 O GLY A 42 -3.646 -5.192 4.367 1.00 0.00 O ATOM 0 H GLY A 42 -2.655 -7.838 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.774 -7.028 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.706 -5.691 6.944 1.00 0.00 H new ATOM 609 N TRP A 43 -1.936 -5.470 5.801 1.00 0.00 N ATOM 610 CA TRP A 43 -0.978 -4.751 4.969 1.00 0.00 C ATOM 611 C TRP A 43 -0.628 -5.556 3.722 1.00 0.00 C ATOM 612 O TRP A 43 0.111 -6.538 3.793 1.00 0.00 O ATOM 613 CB TRP A 43 0.292 -4.445 5.766 1.00 0.00 C ATOM 614 CG TRP A 43 0.145 -3.272 6.688 1.00 0.00 C ATOM 615 CD1 TRP A 43 -0.198 -3.307 8.010 1.00 0.00 C ATOM 616 CD2 TRP A 43 0.336 -1.893 6.357 1.00 0.00 C ATOM 617 NE1 TRP A 43 -0.232 -2.032 8.520 1.00 0.00 N ATOM 618 CE2 TRP A 43 0.092 -1.146 7.527 1.00 0.00 C ATOM 619 CE3 TRP A 43 0.690 -1.215 5.188 1.00 0.00 C ATOM 620 CZ2 TRP A 43 0.191 0.242 7.557 1.00 0.00 C ATOM 621 CZ3 TRP A 43 0.788 0.163 5.220 1.00 0.00 C ATOM 622 CH2 TRP A 43 0.540 0.880 6.398 1.00 0.00 C ATOM 0 H TRP A 43 -1.551 -5.827 6.675 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.438 -3.813 4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.568 -5.324 6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.111 -4.253 5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.411 -4.205 8.571 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.461 -1.785 9.483 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.884 -1.758 4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.001 0.796 8.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.060 0.697 4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.626 1.957 6.391 1.00 0.00 H new ATOM 633 N TRP A 44 -1.163 -5.134 2.582 1.00 0.00 N ATOM 634 CA TRP A 44 -0.906 -5.817 1.319 1.00 0.00 C ATOM 635 C TRP A 44 0.302 -5.214 0.610 1.00 0.00 C ATOM 636 O TRP A 44 0.574 -4.020 0.733 1.00 0.00 O ATOM 637 CB TRP A 44 -2.136 -5.737 0.414 1.00 0.00 C ATOM 638 CG TRP A 44 -3.185 -6.755 0.746 1.00 0.00 C ATOM 639 CD1 TRP A 44 -3.426 -7.313 1.969 1.00 0.00 C ATOM 640 CD2 TRP A 44 -4.133 -7.335 -0.156 1.00 0.00 C ATOM 641 NE1 TRP A 44 -4.467 -8.206 1.881 1.00 0.00 N ATOM 642 CE2 TRP A 44 -4.918 -8.238 0.588 1.00 0.00 C ATOM 643 CE3 TRP A 44 -4.395 -7.180 -1.520 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -5.945 -8.980 0.012 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -5.415 -7.918 -2.090 1.00 0.00 C ATOM 646 CH2 TRP A 44 -6.181 -8.808 -1.325 1.00 0.00 C ATOM 0 H TRP A 44 -1.777 -4.323 2.506 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.691 -6.863 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.570 -4.740 0.490 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.825 -5.871 -0.622 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.879 -7.086 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.843 -8.756 2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.811 -6.496 -2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.535 -9.668 0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.625 -7.807 -3.143 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.973 -9.369 -1.800 1.00 0.00 H new ATOM 657 N PHE A 45 1.024 -6.047 -0.132 1.00 0.00 N ATOM 658 CA PHE A 45 2.204 -5.596 -0.860 1.00 0.00 C ATOM 659 C PHE A 45 1.891 -5.410 -2.341 1.00 0.00 C ATOM 660 O PHE A 45 1.660 -6.379 -3.065 1.00 0.00 O ATOM 661 CB PHE A 45 3.348 -6.598 -0.690 1.00 0.00 C ATOM 662 CG PHE A 45 4.641 -6.141 -1.305 1.00 0.00 C ATOM 663 CD1 PHE A 45 5.113 -4.858 -1.083 1.00 0.00 C ATOM 664 CD2 PHE A 45 5.383 -6.996 -2.104 1.00 0.00 C ATOM 665 CE1 PHE A 45 6.302 -4.435 -1.648 1.00 0.00 C ATOM 666 CE2 PHE A 45 6.572 -6.579 -2.671 1.00 0.00 C ATOM 667 CZ PHE A 45 7.033 -5.297 -2.442 1.00 0.00 C ATOM 0 H PHE A 45 0.812 -7.038 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 45 2.509 -4.634 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.505 -6.781 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.058 -7.548 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.546 -4.180 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.028 -8.000 -2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.659 -3.432 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.141 -7.255 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.963 -4.969 -2.883 1.00 0.00 H new ATOM 677 N VAL A 46 1.885 -4.157 -2.786 1.00 0.00 N ATOM 678 CA VAL A 46 1.600 -3.843 -4.181 1.00 0.00 C ATOM 679 C VAL A 46 2.829 -3.268 -4.876 1.00 0.00 C ATOM 680 O VAL A 46 3.762 -2.800 -4.224 1.00 0.00 O ATOM 681 CB VAL A 46 0.438 -2.840 -4.305 1.00 0.00 C ATOM 682 CG1 VAL A 46 -0.803 -3.373 -3.605 1.00 0.00 C ATOM 683 CG2 VAL A 46 0.840 -1.487 -3.739 1.00 0.00 C ATOM 0 H VAL A 46 2.074 -3.343 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 46 1.316 -4.778 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 46 0.203 -2.710 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.614 -2.651 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.101 -4.317 -4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.585 -3.533 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.007 -0.790 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.102 -1.596 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.699 -1.103 -4.289 1.00 0.00 H new ATOM 693 N SER A 47 2.823 -3.305 -6.205 1.00 0.00 N ATOM 694 CA SER A 47 3.939 -2.790 -6.990 1.00 0.00 C ATOM 695 C SER A 47 3.438 -1.948 -8.159 1.00 0.00 C ATOM 696 O SER A 47 2.634 -2.407 -8.972 1.00 0.00 O ATOM 697 CB SER A 47 4.799 -3.943 -7.509 1.00 0.00 C ATOM 698 OG SER A 47 5.464 -3.584 -8.708 1.00 0.00 O ATOM 0 H SER A 47 2.057 -3.686 -6.761 1.00 0.00 H new ATOM 0 HA SER A 47 4.545 -2.157 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.532 -4.223 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.173 -4.818 -7.685 1.00 0.00 H new ATOM 0 HG SER A 47 6.008 -4.338 -9.018 1.00 0.00 H new ATOM 704 N THR A 48 3.918 -0.711 -8.238 1.00 0.00 N ATOM 705 CA THR A 48 3.520 0.197 -9.306 1.00 0.00 C ATOM 706 C THR A 48 4.644 0.382 -10.319 1.00 0.00 C ATOM 707 O THR A 48 5.796 0.040 -10.051 1.00 0.00 O ATOM 708 CB THR A 48 3.114 1.575 -8.749 1.00 0.00 C ATOM 709 OG1 THR A 48 4.241 2.204 -8.129 1.00 0.00 O ATOM 710 CG2 THR A 48 1.983 1.440 -7.741 1.00 0.00 C ATOM 0 H THR A 48 4.584 -0.315 -7.574 1.00 0.00 H new ATOM 0 HA THR A 48 2.660 -0.255 -9.801 1.00 0.00 H new ATOM 0 HB THR A 48 2.767 2.190 -9.579 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.667 1.575 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.714 2.426 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.117 0.988 -8.224 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.307 0.809 -6.913 1.00 0.00 H new ATOM 718 N SER A 49 4.303 0.927 -11.482 1.00 0.00 N ATOM 719 CA SER A 49 5.283 1.154 -12.537 1.00 0.00 C ATOM 720 C SER A 49 6.445 2.001 -12.025 1.00 0.00 C ATOM 721 O SER A 49 7.568 1.895 -12.518 1.00 0.00 O ATOM 722 CB SER A 49 4.625 1.842 -13.735 1.00 0.00 C ATOM 723 OG SER A 49 5.558 2.643 -14.438 1.00 0.00 O ATOM 0 H SER A 49 3.355 1.220 -11.718 1.00 0.00 H new ATOM 0 HA SER A 49 5.672 0.186 -12.852 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.208 1.091 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.795 2.460 -13.393 1.00 0.00 H new ATOM 0 HG SER A 49 5.114 3.071 -15.200 1.00 0.00 H new ATOM 729 N GLU A 50 6.165 2.840 -11.033 1.00 0.00 N ATOM 730 CA GLU A 50 7.186 3.706 -10.454 1.00 0.00 C ATOM 731 C GLU A 50 8.041 2.941 -9.448 1.00 0.00 C ATOM 732 O GLU A 50 9.238 2.749 -9.655 1.00 0.00 O ATOM 733 CB GLU A 50 6.537 4.914 -9.776 1.00 0.00 C ATOM 734 CG GLU A 50 5.801 5.831 -10.738 1.00 0.00 C ATOM 735 CD GLU A 50 5.263 7.077 -10.062 1.00 0.00 C ATOM 736 OE1 GLU A 50 5.416 7.195 -8.828 1.00 0.00 O ATOM 737 OE2 GLU A 50 4.690 7.933 -10.767 1.00 0.00 O ATOM 0 H GLU A 50 5.240 2.939 -10.614 1.00 0.00 H new ATOM 0 HA GLU A 50 7.831 4.055 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.838 4.562 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.307 5.487 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.475 6.122 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.975 5.285 -11.194 1.00 0.00 H new ATOM 744 N GLU A 51 7.416 2.509 -8.357 1.00 0.00 N ATOM 745 CA GLU A 51 8.120 1.767 -7.318 1.00 0.00 C ATOM 746 C GLU A 51 7.178 0.798 -6.608 1.00 0.00 C ATOM 747 O GLU A 51 6.004 0.688 -6.961 1.00 0.00 O ATOM 748 CB GLU A 51 8.738 2.730 -6.302 1.00 0.00 C ATOM 749 CG GLU A 51 9.680 3.747 -6.924 1.00 0.00 C ATOM 750 CD GLU A 51 10.555 4.437 -5.895 1.00 0.00 C ATOM 751 OE1 GLU A 51 10.955 3.774 -4.915 1.00 0.00 O ATOM 752 OE2 GLU A 51 10.841 5.640 -6.071 1.00 0.00 O ATOM 0 H GLU A 51 6.425 2.660 -8.170 1.00 0.00 H new ATOM 0 HA GLU A 51 8.915 1.192 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.939 3.258 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.281 2.155 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.313 3.249 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.097 4.496 -7.461 1.00 0.00 H new ATOM 759 N GLN A 52 7.702 0.099 -5.607 1.00 0.00 N ATOM 760 CA GLN A 52 6.909 -0.861 -4.849 1.00 0.00 C ATOM 761 C GLN A 52 6.897 -0.507 -3.366 1.00 0.00 C ATOM 762 O GLN A 52 7.901 -0.052 -2.818 1.00 0.00 O ATOM 763 CB GLN A 52 7.458 -2.276 -5.044 1.00 0.00 C ATOM 764 CG GLN A 52 7.731 -2.628 -6.497 1.00 0.00 C ATOM 765 CD GLN A 52 8.078 -4.091 -6.688 1.00 0.00 C ATOM 766 OE1 GLN A 52 7.803 -4.924 -5.824 1.00 0.00 O ATOM 767 NE2 GLN A 52 8.685 -4.413 -7.825 1.00 0.00 N ATOM 0 H GLN A 52 8.672 0.179 -5.302 1.00 0.00 H new ATOM 0 HA GLN A 52 5.885 -0.822 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.381 -2.380 -4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.747 -2.992 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.854 -2.385 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.551 -2.013 -6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.894 -3.690 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.942 -5.383 -8.009 1.00 0.00 H new ATOM 776 N GLY A 53 5.754 -0.719 -2.720 1.00 0.00 N ATOM 777 CA GLY A 53 5.634 -0.417 -1.306 1.00 0.00 C ATOM 778 C GLY A 53 4.545 -1.226 -0.630 1.00 0.00 C ATOM 779 O GLY A 53 3.905 -2.067 -1.262 1.00 0.00 O ATOM 0 H GLY A 53 4.909 -1.095 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.587 -0.613 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.424 0.645 -1.181 1.00 0.00 H new ATOM 783 N TRP A 54 4.336 -0.975 0.657 1.00 0.00 N ATOM 784 CA TRP A 54 3.318 -1.689 1.419 1.00 0.00 C ATOM 785 C TRP A 54 2.172 -0.758 1.803 1.00 0.00 C ATOM 786 O TRP A 54 2.390 0.298 2.396 1.00 0.00 O ATOM 787 CB TRP A 54 3.932 -2.307 2.676 1.00 0.00 C ATOM 788 CG TRP A 54 4.750 -3.531 2.397 1.00 0.00 C ATOM 789 CD1 TRP A 54 6.024 -3.572 1.906 1.00 0.00 C ATOM 790 CD2 TRP A 54 4.350 -4.892 2.591 1.00 0.00 C ATOM 791 NE1 TRP A 54 6.439 -4.876 1.783 1.00 0.00 N ATOM 792 CE2 TRP A 54 5.431 -5.705 2.198 1.00 0.00 C ATOM 793 CE3 TRP A 54 3.184 -5.503 3.061 1.00 0.00 C ATOM 794 CZ2 TRP A 54 5.378 -7.095 2.259 1.00 0.00 C ATOM 795 CZ3 TRP A 54 3.133 -6.883 3.121 1.00 0.00 C ATOM 796 CH2 TRP A 54 4.224 -7.666 2.723 1.00 0.00 C ATOM 0 H TRP A 54 4.858 -0.283 1.195 1.00 0.00 H new ATOM 0 HA TRP A 54 2.920 -2.484 0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.559 -1.564 3.168 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.134 -2.563 3.373 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.618 -2.707 1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.350 -5.178 1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.338 -4.908 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.217 -7.701 1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.236 -7.366 3.481 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.153 -8.742 2.783 1.00 0.00 H new ATOM 807 N VAL A 55 0.951 -1.157 1.461 1.00 0.00 N ATOM 808 CA VAL A 55 -0.229 -0.359 1.771 1.00 0.00 C ATOM 809 C VAL A 55 -1.356 -1.232 2.310 1.00 0.00 C ATOM 810 O VAL A 55 -1.420 -2.435 2.056 1.00 0.00 O ATOM 811 CB VAL A 55 -0.732 0.403 0.531 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.136 1.623 0.265 1.00 0.00 C ATOM 813 CG2 VAL A 55 -0.763 -0.514 -0.682 1.00 0.00 C ATOM 0 H VAL A 55 0.753 -2.028 0.969 1.00 0.00 H new ATOM 0 HA VAL A 55 0.066 0.360 2.535 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.748 0.745 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.235 2.149 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.101 2.289 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.165 1.307 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.121 0.041 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.241 -0.889 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.431 -1.353 -0.487 1.00 0.00 H new ATOM 823 N PRO A 56 -2.270 -0.613 3.073 1.00 0.00 N ATOM 824 CA PRO A 56 -3.414 -1.315 3.664 1.00 0.00 C ATOM 825 C PRO A 56 -4.435 -1.743 2.616 1.00 0.00 C ATOM 826 O PRO A 56 -4.803 -0.962 1.739 1.00 0.00 O ATOM 827 CB PRO A 56 -4.020 -0.273 4.607 1.00 0.00 C ATOM 828 CG PRO A 56 -3.610 1.040 4.035 1.00 0.00 C ATOM 829 CD PRO A 56 -2.257 0.818 3.417 1.00 0.00 C ATOM 0 HA PRO A 56 -3.114 -2.237 4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.105 -0.364 4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.647 -0.395 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.328 1.382 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.565 1.806 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.111 1.442 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.453 1.057 4.113 1.00 0.00 H new ATOM 837 N ALA A 57 -4.890 -2.988 2.714 1.00 0.00 N ATOM 838 CA ALA A 57 -5.871 -3.519 1.776 1.00 0.00 C ATOM 839 C ALA A 57 -7.120 -2.644 1.734 1.00 0.00 C ATOM 840 O ALA A 57 -7.839 -2.618 0.734 1.00 0.00 O ATOM 841 CB ALA A 57 -6.237 -4.948 2.148 1.00 0.00 C ATOM 0 H ALA A 57 -4.595 -3.648 3.434 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.425 -3.517 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.971 -5.332 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.344 -5.572 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.660 -4.966 3.153 1.00 0.00 H new ATOM 847 N THR A 58 -7.373 -1.929 2.826 1.00 0.00 N ATOM 848 CA THR A 58 -8.536 -1.055 2.914 1.00 0.00 C ATOM 849 C THR A 58 -8.534 -0.023 1.793 1.00 0.00 C ATOM 850 O THR A 58 -9.585 0.486 1.402 1.00 0.00 O ATOM 851 CB THR A 58 -8.587 -0.325 4.269 1.00 0.00 C ATOM 852 OG1 THR A 58 -7.317 0.273 4.552 1.00 0.00 O ATOM 853 CG2 THR A 58 -8.962 -1.285 5.388 1.00 0.00 C ATOM 0 H THR A 58 -6.788 -1.938 3.662 1.00 0.00 H new ATOM 0 HA THR A 58 -9.417 -1.689 2.818 1.00 0.00 H new ATOM 0 HB THR A 58 -9.349 0.452 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.359 0.737 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.992 -0.746 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.943 -1.716 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.221 -2.082 5.447 1.00 0.00 H new ATOM 861 N TYR A 59 -7.348 0.283 1.278 1.00 0.00 N ATOM 862 CA TYR A 59 -7.209 1.257 0.202 1.00 0.00 C ATOM 863 C TYR A 59 -7.142 0.563 -1.155 1.00 0.00 C ATOM 864 O TYR A 59 -6.531 1.072 -2.096 1.00 0.00 O ATOM 865 CB TYR A 59 -5.957 2.109 0.415 1.00 0.00 C ATOM 866 CG TYR A 59 -6.141 3.212 1.433 1.00 0.00 C ATOM 867 CD1 TYR A 59 -6.352 2.918 2.775 1.00 0.00 C ATOM 868 CD2 TYR A 59 -6.105 4.548 1.053 1.00 0.00 C ATOM 869 CE1 TYR A 59 -6.521 3.922 3.708 1.00 0.00 C ATOM 870 CE2 TYR A 59 -6.272 5.559 1.980 1.00 0.00 C ATOM 871 CZ TYR A 59 -6.480 5.241 3.306 1.00 0.00 C ATOM 872 OH TYR A 59 -6.648 6.245 4.232 1.00 0.00 O ATOM 0 H TYR A 59 -6.469 -0.130 1.589 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.086 1.904 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.139 1.464 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.662 2.550 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.384 1.887 3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.944 4.801 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.684 3.676 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.240 6.592 1.668 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.590 7.115 3.785 1.00 0.00 H new ATOM 882 N LEU A 60 -7.773 -0.601 -1.249 1.00 0.00 N ATOM 883 CA LEU A 60 -7.787 -1.367 -2.491 1.00 0.00 C ATOM 884 C LEU A 60 -9.128 -2.066 -2.685 1.00 0.00 C ATOM 885 O LEU A 60 -9.710 -2.586 -1.734 1.00 0.00 O ATOM 886 CB LEU A 60 -6.656 -2.397 -2.490 1.00 0.00 C ATOM 887 CG LEU A 60 -5.279 -1.882 -2.072 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.329 -3.043 -1.820 1.00 0.00 C ATOM 889 CD2 LEU A 60 -4.714 -0.949 -3.133 1.00 0.00 C ATOM 0 H LEU A 60 -8.282 -1.036 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.638 -0.674 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.935 -3.212 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.575 -2.819 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.388 -1.321 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.354 -2.657 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.727 -3.673 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.224 -3.632 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.733 -0.592 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.619 -1.486 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.384 -0.100 -3.265 1.00 0.00 H new ATOM 901 N GLU A 61 -9.611 -2.077 -3.923 1.00 0.00 N ATOM 902 CA GLU A 61 -10.883 -2.714 -4.241 1.00 0.00 C ATOM 903 C GLU A 61 -10.721 -3.710 -5.386 1.00 0.00 C ATOM 904 O GLU A 61 -10.115 -3.401 -6.411 1.00 0.00 O ATOM 905 CB GLU A 61 -11.929 -1.660 -4.612 1.00 0.00 C ATOM 906 CG GLU A 61 -13.360 -2.122 -4.399 1.00 0.00 C ATOM 907 CD GLU A 61 -14.326 -0.967 -4.219 1.00 0.00 C ATOM 908 OE1 GLU A 61 -14.670 -0.319 -5.231 1.00 0.00 O ATOM 909 OE2 GLU A 61 -14.736 -0.709 -3.069 1.00 0.00 O ATOM 0 H GLU A 61 -9.141 -1.652 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.220 -3.254 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.754 -0.762 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.798 -1.382 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.674 -2.724 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.403 -2.767 -3.521 1.00 0.00 H new ATOM 916 N ALA A 62 -11.268 -4.908 -5.203 1.00 0.00 N ATOM 917 CA ALA A 62 -11.186 -5.949 -6.219 1.00 0.00 C ATOM 918 C ALA A 62 -11.950 -5.549 -7.477 1.00 0.00 C ATOM 919 O ALA A 62 -13.175 -5.656 -7.530 1.00 0.00 O ATOM 920 CB ALA A 62 -11.719 -7.264 -5.672 1.00 0.00 C ATOM 0 H ALA A 62 -11.773 -5.181 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.137 -6.078 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.652 -8.032 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.128 -7.564 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.760 -7.139 -5.374 1.00 0.00 H new ATOM 926 N GLN A 63 -11.219 -5.088 -8.486 1.00 0.00 N ATOM 927 CA GLN A 63 -11.829 -4.671 -9.743 1.00 0.00 C ATOM 928 C GLN A 63 -12.659 -5.799 -10.346 1.00 0.00 C ATOM 929 O GLN A 63 -12.119 -6.815 -10.783 1.00 0.00 O ATOM 930 CB GLN A 63 -10.753 -4.227 -10.735 1.00 0.00 C ATOM 931 CG GLN A 63 -10.336 -2.775 -10.572 1.00 0.00 C ATOM 932 CD GLN A 63 -9.365 -2.322 -11.644 1.00 0.00 C ATOM 933 OE1 GLN A 63 -9.739 -1.610 -12.576 1.00 0.00 O ATOM 934 NE2 GLN A 63 -8.109 -2.733 -11.518 1.00 0.00 N ATOM 0 H GLN A 63 -10.204 -4.994 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.490 -3.830 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.876 -4.863 -10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.121 -4.379 -11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.222 -2.141 -10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.878 -2.641 -9.592 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.842 -3.322 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.411 -2.459 -12.210 1.00 0.00 H new ATOM 943 N ASN A 64 -13.975 -5.614 -10.366 1.00 0.00 N ATOM 944 CA ASN A 64 -14.880 -6.617 -10.915 1.00 0.00 C ATOM 945 C ASN A 64 -14.895 -6.561 -12.439 1.00 0.00 C ATOM 946 O ASN A 64 -14.800 -5.487 -13.032 1.00 0.00 O ATOM 947 CB ASN A 64 -16.296 -6.409 -10.372 1.00 0.00 C ATOM 948 CG ASN A 64 -16.463 -6.957 -8.968 1.00 0.00 C ATOM 949 OD1 ASN A 64 -16.126 -8.109 -8.695 1.00 0.00 O ATOM 950 ND2 ASN A 64 -16.986 -6.131 -8.070 1.00 0.00 N ATOM 0 H ASN A 64 -14.438 -4.779 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.521 -7.600 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.530 -5.344 -10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.012 -6.894 -11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -17.123 -6.443 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -17.251 -5.184 -8.341 1.00 0.00 H new ATOM 957 N SER A 65 -15.014 -7.727 -13.068 1.00 0.00 N ATOM 958 CA SER A 65 -15.038 -7.811 -14.523 1.00 0.00 C ATOM 959 C SER A 65 -16.465 -7.990 -15.034 1.00 0.00 C ATOM 960 O SER A 65 -16.813 -7.517 -16.115 1.00 0.00 O ATOM 961 CB SER A 65 -14.164 -8.972 -15.002 1.00 0.00 C ATOM 962 OG SER A 65 -14.468 -9.320 -16.341 1.00 0.00 O ATOM 0 H SER A 65 -15.095 -8.626 -12.592 1.00 0.00 H new ATOM 0 HA SER A 65 -14.642 -6.877 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.112 -8.696 -14.924 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.315 -9.836 -14.355 1.00 0.00 H new ATOM 0 HG SER A 65 -13.895 -10.063 -16.624 1.00 0.00 H new ATOM 968 N GLY A 66 -17.287 -8.677 -14.247 1.00 0.00 N ATOM 969 CA GLY A 66 -18.666 -8.907 -14.635 1.00 0.00 C ATOM 970 C GLY A 66 -19.217 -10.204 -14.076 1.00 0.00 C ATOM 971 O GLY A 66 -19.418 -11.180 -14.798 1.00 0.00 O ATOM 0 H GLY A 66 -17.022 -9.078 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -19.281 -8.076 -14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.736 -8.925 -15.723 1.00 0.00 H new ATOM 975 N PRO A 67 -19.470 -10.225 -12.759 1.00 0.00 N ATOM 976 CA PRO A 67 -20.003 -11.406 -12.074 1.00 0.00 C ATOM 977 C PRO A 67 -21.451 -11.693 -12.456 1.00 0.00 C ATOM 978 O PRO A 67 -22.138 -10.835 -13.011 1.00 0.00 O ATOM 979 CB PRO A 67 -19.905 -11.032 -10.593 1.00 0.00 C ATOM 980 CG PRO A 67 -19.940 -9.543 -10.575 1.00 0.00 C ATOM 981 CD PRO A 67 -19.255 -9.097 -11.837 1.00 0.00 C ATOM 0 HA PRO A 67 -19.455 -12.311 -12.336 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -20.732 -11.454 -10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.985 -11.412 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -20.966 -9.177 -10.538 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -19.430 -9.151 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.687 -8.174 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.194 -8.908 -11.673 1.00 0.00 H new ATOM 989 N SER A 68 -21.910 -12.903 -12.154 1.00 0.00 N ATOM 990 CA SER A 68 -23.276 -13.304 -12.468 1.00 0.00 C ATOM 991 C SER A 68 -24.154 -13.266 -11.222 1.00 0.00 C ATOM 992 O SER A 68 -24.333 -14.277 -10.543 1.00 0.00 O ATOM 993 CB SER A 68 -23.291 -14.709 -13.074 1.00 0.00 C ATOM 994 OG SER A 68 -22.361 -15.556 -12.422 1.00 0.00 O ATOM 0 H SER A 68 -21.355 -13.623 -11.692 1.00 0.00 H new ATOM 0 HA SER A 68 -23.677 -12.598 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 68 -24.292 -15.133 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 68 -23.054 -14.653 -14.136 1.00 0.00 H new ATOM 0 HG SER A 68 -22.391 -16.448 -12.827 1.00 0.00 H new ATOM 1000 N SER A 69 -24.701 -12.091 -10.926 1.00 0.00 N ATOM 1001 CA SER A 69 -25.558 -11.918 -9.759 1.00 0.00 C ATOM 1002 C SER A 69 -26.914 -11.348 -10.161 1.00 0.00 C ATOM 1003 O SER A 69 -27.271 -10.235 -9.778 1.00 0.00 O ATOM 1004 CB SER A 69 -24.886 -10.996 -8.739 1.00 0.00 C ATOM 1005 OG SER A 69 -25.560 -11.038 -7.493 1.00 0.00 O ATOM 0 H SER A 69 -24.566 -11.244 -11.479 1.00 0.00 H new ATOM 0 HA SER A 69 -25.715 -12.897 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.846 -11.294 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.878 -9.974 -9.118 1.00 0.00 H new ATOM 0 HG SER A 69 -25.111 -10.442 -6.858 1.00 0.00 H new ATOM 1011 N GLY A 70 -27.668 -12.122 -10.936 1.00 0.00 N ATOM 1012 CA GLY A 70 -28.977 -11.678 -11.378 1.00 0.00 C ATOM 1013 C GLY A 70 -29.455 -12.419 -12.612 1.00 0.00 C ATOM 1014 O GLY A 70 -30.290 -13.318 -12.520 1.00 0.00 O ATOM 0 H GLY A 70 -27.396 -13.048 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -29.697 -11.819 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -28.942 -10.609 -11.590 1.00 0.00 H new TER 1018 GLY A 70