USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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 15 THR OG1 : rot 180:sc= 0.338 USER MOD Set 1.2: A 17 GLN : amide:sc= -8.01! C(o=-7.7!,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.0575 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.4!) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.116) USER MOD Single : A 26 CYS SG : rot 26:sc= 0.252 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc=-0.000821 USER MOD Single : A 32 SER OG : rot -57:sc= 0.411 USER MOD Single : A 34 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -6:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -1.07! (180deg=-1.51) USER MOD Single : A 42 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.9!) USER MOD Single : A 47 GLN : amide:sc= -0.0205 K(o=-0.02,f=-1.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.142) USER MOD Single : A 56 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.0706 (180deg=-0.496) USER MOD Single : A 61 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.28) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 42:sc= 0.401 USER MOD Single : A 83 TYR OH : rot 180:sc=-0.00817 USER MOD Single : A 84 ASN : amide:sc= -0.0875 K(o=-0.087,f=-2.4!) USER MOD Single : A 86 THR OG1 : rot 37:sc= 0.0436 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 95 SER OG : rot 34:sc= 0.299 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.819 1.881 26.057 1.00 0.00 N ATOM 2 CA GLY A 1 -20.517 1.927 24.786 1.00 0.00 C ATOM 3 C GLY A 1 -20.792 0.547 24.224 1.00 0.00 C ATOM 4 O GLY A 1 -20.088 -0.412 24.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.986 2.503 26.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.455 2.202 26.814 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.514 0.906 26.251 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.460 2.459 24.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.924 2.496 24.070 1.00 0.00 H new ATOM 8 N SER A 2 -21.819 0.443 23.387 1.00 0.00 N ATOM 9 CA SER A 2 -22.189 -0.832 22.785 1.00 0.00 C ATOM 10 C SER A 2 -21.189 -1.232 21.704 1.00 0.00 C ATOM 11 O SER A 2 -21.256 -0.752 20.572 1.00 0.00 O ATOM 12 CB SER A 2 -23.596 -0.749 22.189 1.00 0.00 C ATOM 13 OG SER A 2 -24.583 -0.787 23.205 1.00 0.00 O ATOM 0 H SER A 2 -22.410 1.227 23.110 1.00 0.00 H new ATOM 0 HA SER A 2 -22.177 -1.592 23.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.697 0.171 21.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.750 -1.576 21.496 1.00 0.00 H new ATOM 0 HG SER A 2 -25.473 -0.731 22.799 1.00 0.00 H new ATOM 19 N SER A 3 -20.262 -2.115 22.062 1.00 0.00 N ATOM 20 CA SER A 3 -19.245 -2.578 21.125 1.00 0.00 C ATOM 21 C SER A 3 -19.056 -4.088 21.231 1.00 0.00 C ATOM 22 O SER A 3 -19.084 -4.653 22.324 1.00 0.00 O ATOM 23 CB SER A 3 -17.917 -1.866 21.389 1.00 0.00 C ATOM 24 OG SER A 3 -17.118 -1.827 20.219 1.00 0.00 O ATOM 0 H SER A 3 -20.194 -2.524 22.994 1.00 0.00 H new ATOM 0 HA SER A 3 -19.581 -2.342 20.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.108 -0.851 21.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.377 -2.379 22.185 1.00 0.00 H new ATOM 0 HG SER A 3 -16.276 -1.365 20.413 1.00 0.00 H new ATOM 30 N GLY A 4 -18.864 -4.736 20.086 1.00 0.00 N ATOM 31 CA GLY A 4 -18.673 -6.175 20.071 1.00 0.00 C ATOM 32 C GLY A 4 -18.034 -6.661 18.785 1.00 0.00 C ATOM 33 O GLY A 4 -18.718 -7.176 17.900 1.00 0.00 O ATOM 0 H GLY A 4 -18.837 -4.291 19.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.048 -6.464 20.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.636 -6.668 20.204 1.00 0.00 H new ATOM 37 N SER A 5 -16.719 -6.497 18.681 1.00 0.00 N ATOM 38 CA SER A 5 -15.989 -6.919 17.492 1.00 0.00 C ATOM 39 C SER A 5 -16.621 -6.337 16.231 1.00 0.00 C ATOM 40 O SER A 5 -16.768 -7.027 15.222 1.00 0.00 O ATOM 41 CB SER A 5 -15.956 -8.446 17.402 1.00 0.00 C ATOM 42 OG SER A 5 -15.108 -8.997 18.395 1.00 0.00 O ATOM 0 H SER A 5 -16.138 -6.075 19.405 1.00 0.00 H new ATOM 0 HA SER A 5 -14.968 -6.545 17.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.965 -8.842 17.520 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.608 -8.748 16.414 1.00 0.00 H new ATOM 0 HG SER A 5 -15.105 -9.974 18.318 1.00 0.00 H new ATOM 48 N SER A 6 -16.994 -5.063 16.297 1.00 0.00 N ATOM 49 CA SER A 6 -17.614 -4.388 15.163 1.00 0.00 C ATOM 50 C SER A 6 -16.738 -3.242 14.667 1.00 0.00 C ATOM 51 O SER A 6 -16.560 -2.239 15.356 1.00 0.00 O ATOM 52 CB SER A 6 -18.995 -3.858 15.552 1.00 0.00 C ATOM 53 OG SER A 6 -19.930 -4.915 15.682 1.00 0.00 O ATOM 0 H SER A 6 -16.878 -4.477 17.124 1.00 0.00 H new ATOM 0 HA SER A 6 -17.724 -5.113 14.356 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.926 -3.312 16.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.342 -3.152 14.798 1.00 0.00 H new ATOM 0 HG SER A 6 -20.804 -4.550 15.933 1.00 0.00 H new ATOM 59 N GLY A 7 -16.191 -3.400 13.465 1.00 0.00 N ATOM 60 CA GLY A 7 -15.340 -2.372 12.896 1.00 0.00 C ATOM 61 C GLY A 7 -13.928 -2.863 12.643 1.00 0.00 C ATOM 62 O GLY A 7 -13.329 -3.519 13.496 1.00 0.00 O ATOM 0 H GLY A 7 -16.322 -4.222 12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.774 -2.023 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.309 -1.516 13.570 1.00 0.00 H new ATOM 66 N LEU A 8 -13.396 -2.548 11.467 1.00 0.00 N ATOM 67 CA LEU A 8 -12.045 -2.963 11.103 1.00 0.00 C ATOM 68 C LEU A 8 -11.021 -2.410 12.089 1.00 0.00 C ATOM 69 O LEU A 8 -10.821 -1.198 12.179 1.00 0.00 O ATOM 70 CB LEU A 8 -11.711 -2.493 9.686 1.00 0.00 C ATOM 71 CG LEU A 8 -10.428 -3.058 9.077 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.618 -4.516 8.688 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.002 -2.234 7.870 1.00 0.00 C ATOM 0 H LEU A 8 -13.879 -2.007 10.750 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.004 -4.052 11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.544 -2.752 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.638 -1.405 9.693 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.639 -3.003 9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.694 -4.901 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.875 -5.098 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.421 -4.595 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.087 -2.651 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.790 -2.257 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.823 -1.204 8.178 1.00 0.00 H new ATOM 85 N LYS A 9 -10.374 -3.306 12.826 1.00 0.00 N ATOM 86 CA LYS A 9 -9.367 -2.910 13.804 1.00 0.00 C ATOM 87 C LYS A 9 -7.961 -3.163 13.270 1.00 0.00 C ATOM 88 O LYS A 9 -7.457 -4.285 13.331 1.00 0.00 O ATOM 89 CB LYS A 9 -9.571 -3.672 15.114 1.00 0.00 C ATOM 90 CG LYS A 9 -8.587 -3.284 16.204 1.00 0.00 C ATOM 91 CD LYS A 9 -8.722 -4.181 17.423 1.00 0.00 C ATOM 92 CE LYS A 9 -9.899 -3.767 18.292 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.780 -4.301 19.678 1.00 0.00 N ATOM 0 H LYS A 9 -10.529 -4.312 12.765 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.479 -1.842 13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.585 -3.496 15.473 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.482 -4.741 14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.570 -3.346 15.816 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.755 -2.247 16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.851 -5.215 17.103 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.804 -4.141 18.009 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.961 -2.679 18.326 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.826 -4.125 17.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.601 -3.997 20.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.747 -5.340 19.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.909 -3.939 20.116 1.00 0.00 H new ATOM 107 N ILE A 10 -7.333 -2.114 12.748 1.00 0.00 N ATOM 108 CA ILE A 10 -5.985 -2.224 12.206 1.00 0.00 C ATOM 109 C ILE A 10 -5.015 -2.765 13.251 1.00 0.00 C ATOM 110 O ILE A 10 -4.648 -2.065 14.196 1.00 0.00 O ATOM 111 CB ILE A 10 -5.469 -0.864 11.700 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.474 -0.243 10.727 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.111 -1.026 11.035 1.00 0.00 C ATOM 114 CD1 ILE A 10 -6.834 -1.149 9.571 1.00 0.00 C ATOM 0 H ILE A 10 -7.737 -1.179 12.689 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.038 -2.919 11.368 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.356 -0.195 12.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.382 0.016 11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.061 0.686 10.335 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.760 -0.056 10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.399 -1.430 11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.199 -1.709 10.190 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.550 -0.644 8.922 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.935 -1.388 9.003 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.277 -2.069 9.954 1.00 0.00 H new ATOM 126 N LEU A 11 -4.601 -4.015 13.075 1.00 0.00 N ATOM 127 CA LEU A 11 -3.671 -4.651 14.002 1.00 0.00 C ATOM 128 C LEU A 11 -2.230 -4.270 13.674 1.00 0.00 C ATOM 129 O LEU A 11 -1.453 -3.914 14.561 1.00 0.00 O ATOM 130 CB LEU A 11 -3.832 -6.171 13.954 1.00 0.00 C ATOM 131 CG LEU A 11 -5.237 -6.706 14.232 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.285 -8.212 14.027 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.676 -6.344 15.644 1.00 0.00 C ATOM 0 H LEU A 11 -4.895 -4.608 12.299 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.901 -4.299 15.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.521 -6.518 12.969 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.147 -6.612 14.678 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.928 -6.242 13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.293 -8.575 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.014 -8.448 12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.582 -8.694 14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.678 -6.733 15.824 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.983 -6.780 16.364 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.682 -5.260 15.757 1.00 0.00 H new ATOM 145 N THR A 12 -1.880 -4.346 12.394 1.00 0.00 N ATOM 146 CA THR A 12 -0.534 -4.009 11.949 1.00 0.00 C ATOM 147 C THR A 12 -0.568 -2.982 10.823 1.00 0.00 C ATOM 148 O THR A 12 -0.571 -3.322 9.640 1.00 0.00 O ATOM 149 CB THR A 12 0.228 -5.258 11.467 1.00 0.00 C ATOM 150 OG1 THR A 12 0.180 -6.279 12.469 1.00 0.00 O ATOM 151 CG2 THR A 12 1.677 -4.919 11.149 1.00 0.00 C ATOM 0 H THR A 12 -2.510 -4.638 11.647 1.00 0.00 H new ATOM 0 HA THR A 12 -0.014 -3.585 12.808 1.00 0.00 H new ATOM 0 HB THR A 12 -0.252 -5.620 10.558 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.665 -7.070 12.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.195 -5.817 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.710 -4.163 10.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.165 -4.534 12.044 1.00 0.00 H new ATOM 159 N PRO A 13 -0.593 -1.694 11.196 1.00 0.00 N ATOM 160 CA PRO A 13 -0.626 -0.591 10.232 1.00 0.00 C ATOM 161 C PRO A 13 0.687 -0.446 9.471 1.00 0.00 C ATOM 162 O PRO A 13 1.751 -0.809 9.975 1.00 0.00 O ATOM 163 CB PRO A 13 -0.876 0.640 11.108 1.00 0.00 C ATOM 164 CG PRO A 13 -0.348 0.262 12.449 1.00 0.00 C ATOM 165 CD PRO A 13 -0.591 -1.215 12.589 1.00 0.00 C ATOM 0 HA PRO A 13 -1.384 -0.745 9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.364 1.518 10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.937 0.884 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.714 0.492 12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.855 0.817 13.238 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.189 -1.697 13.178 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.539 -1.421 13.086 1.00 0.00 H new ATOM 173 N LEU A 14 0.607 0.087 8.257 1.00 0.00 N ATOM 174 CA LEU A 14 1.791 0.281 7.427 1.00 0.00 C ATOM 175 C LEU A 14 2.854 1.080 8.173 1.00 0.00 C ATOM 176 O LEU A 14 2.590 1.650 9.232 1.00 0.00 O ATOM 177 CB LEU A 14 1.416 0.997 6.128 1.00 0.00 C ATOM 178 CG LEU A 14 0.264 0.382 5.331 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.424 1.441 4.484 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.769 -0.758 4.458 1.00 0.00 C ATOM 0 H LEU A 14 -0.265 0.393 7.825 1.00 0.00 H new ATOM 0 HA LEU A 14 2.202 -0.700 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.156 2.028 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.297 1.030 5.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.465 -0.021 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.241 0.985 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.820 2.224 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.295 1.874 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.064 -1.184 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.518 -0.379 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.215 -1.528 5.087 1.00 0.00 H new ATOM 192 N THR A 15 4.059 1.121 7.612 1.00 0.00 N ATOM 193 CA THR A 15 5.162 1.851 8.222 1.00 0.00 C ATOM 194 C THR A 15 5.981 2.590 7.171 1.00 0.00 C ATOM 195 O THR A 15 5.938 2.254 5.987 1.00 0.00 O ATOM 196 CB THR A 15 6.091 0.909 9.011 1.00 0.00 C ATOM 197 OG1 THR A 15 6.425 -0.232 8.213 1.00 0.00 O ATOM 198 CG2 THR A 15 5.430 0.454 10.304 1.00 0.00 C ATOM 0 H THR A 15 4.295 0.656 6.735 1.00 0.00 H new ATOM 0 HA THR A 15 4.721 2.574 8.909 1.00 0.00 H new ATOM 0 HB THR A 15 7.000 1.457 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.017 -0.825 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.105 -0.210 10.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.204 1.323 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.506 -0.077 10.073 1.00 0.00 H new ATOM 206 N ASP A 16 6.728 3.598 7.609 1.00 0.00 N ATOM 207 CA ASP A 16 7.559 4.384 6.705 1.00 0.00 C ATOM 208 C ASP A 16 8.724 3.553 6.177 1.00 0.00 C ATOM 209 O ASP A 16 9.575 3.103 6.944 1.00 0.00 O ATOM 210 CB ASP A 16 8.087 5.631 7.417 1.00 0.00 C ATOM 211 CG ASP A 16 8.523 5.343 8.840 1.00 0.00 C ATOM 212 OD1 ASP A 16 7.642 5.129 9.699 1.00 0.00 O ATOM 213 OD2 ASP A 16 9.745 5.331 9.095 1.00 0.00 O ATOM 0 H ASP A 16 6.775 3.890 8.585 1.00 0.00 H new ATOM 0 HA ASP A 16 6.943 4.691 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.930 6.037 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.312 6.397 7.425 1.00 0.00 H new ATOM 218 N GLN A 17 8.755 3.353 4.863 1.00 0.00 N ATOM 219 CA GLN A 17 9.814 2.575 4.234 1.00 0.00 C ATOM 220 C GLN A 17 10.626 3.437 3.273 1.00 0.00 C ATOM 221 O GLN A 17 10.072 4.246 2.528 1.00 0.00 O ATOM 222 CB GLN A 17 9.223 1.378 3.488 1.00 0.00 C ATOM 223 CG GLN A 17 9.075 0.135 4.351 1.00 0.00 C ATOM 224 CD GLN A 17 8.171 0.359 5.547 1.00 0.00 C ATOM 225 OE1 GLN A 17 8.604 0.871 6.580 1.00 0.00 O ATOM 226 NE2 GLN A 17 6.907 -0.024 5.414 1.00 0.00 N ATOM 0 H GLN A 17 8.058 3.719 4.214 1.00 0.00 H new ATOM 0 HA GLN A 17 10.478 2.213 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.246 1.654 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.858 1.143 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.675 -0.678 3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.059 -0.181 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.591 -0.444 4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.252 0.102 6.186 1.00 0.00 H new ATOM 235 N THR A 18 11.944 3.259 3.295 1.00 0.00 N ATOM 236 CA THR A 18 12.832 4.022 2.427 1.00 0.00 C ATOM 237 C THR A 18 13.696 3.098 1.576 1.00 0.00 C ATOM 238 O THR A 18 14.451 2.279 2.101 1.00 0.00 O ATOM 239 CB THR A 18 13.747 4.956 3.241 1.00 0.00 C ATOM 240 OG1 THR A 18 12.963 5.951 3.908 1.00 0.00 O ATOM 241 CG2 THR A 18 14.771 5.630 2.341 1.00 0.00 C ATOM 0 H THR A 18 12.419 2.593 3.904 1.00 0.00 H new ATOM 0 HA THR A 18 12.198 4.624 1.776 1.00 0.00 H new ATOM 0 HB THR A 18 14.276 4.355 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.552 6.540 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.406 6.285 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.386 4.871 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.256 6.218 1.581 1.00 0.00 H new ATOM 249 N VAL A 19 13.581 3.235 0.259 1.00 0.00 N ATOM 250 CA VAL A 19 14.354 2.413 -0.665 1.00 0.00 C ATOM 251 C VAL A 19 14.854 3.237 -1.846 1.00 0.00 C ATOM 252 O VAL A 19 14.193 4.177 -2.285 1.00 0.00 O ATOM 253 CB VAL A 19 13.521 1.230 -1.194 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.049 0.353 -0.045 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.341 1.733 -2.012 1.00 0.00 C ATOM 0 H VAL A 19 12.960 3.907 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 19 15.208 2.027 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 19 14.153 0.625 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.462 -0.477 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.913 -0.036 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.433 0.943 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.764 0.884 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.706 2.361 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.706 2.315 -2.858 1.00 0.00 H new ATOM 265 N ASN A 20 16.027 2.876 -2.358 1.00 0.00 N ATOM 266 CA ASN A 20 16.616 3.582 -3.489 1.00 0.00 C ATOM 267 C ASN A 20 15.731 3.463 -4.726 1.00 0.00 C ATOM 268 O ASN A 20 14.702 2.787 -4.704 1.00 0.00 O ATOM 269 CB ASN A 20 18.011 3.030 -3.791 1.00 0.00 C ATOM 270 CG ASN A 20 18.984 3.261 -2.651 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.803 2.738 -1.551 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.022 4.048 -2.909 1.00 0.00 N ATOM 0 H ASN A 20 16.587 2.099 -2.007 1.00 0.00 H new ATOM 0 HA ASN A 20 16.699 4.636 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 20 17.940 1.961 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.397 3.501 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.710 4.240 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.132 4.460 -3.836 1.00 0.00 H new ATOM 279 N LEU A 21 16.139 4.123 -5.805 1.00 0.00 N ATOM 280 CA LEU A 21 15.384 4.091 -7.053 1.00 0.00 C ATOM 281 C LEU A 21 15.595 2.769 -7.783 1.00 0.00 C ATOM 282 O LEU A 21 16.723 2.297 -7.922 1.00 0.00 O ATOM 283 CB LEU A 21 15.800 5.256 -7.953 1.00 0.00 C ATOM 284 CG LEU A 21 14.741 5.753 -8.938 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.964 7.221 -9.265 1.00 0.00 C ATOM 286 CD2 LEU A 21 14.759 4.914 -10.208 1.00 0.00 C ATOM 0 H LEU A 21 16.988 4.687 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 21 14.325 4.186 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.098 6.091 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.682 4.955 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 21 13.761 5.650 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.201 7.557 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.901 7.811 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.950 7.349 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.999 5.282 -10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.740 4.985 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.551 3.873 -9.960 1.00 0.00 H new ATOM 298 N GLY A 22 14.501 2.175 -8.250 1.00 0.00 N ATOM 299 CA GLY A 22 14.588 0.914 -8.962 1.00 0.00 C ATOM 300 C GLY A 22 14.495 -0.283 -8.036 1.00 0.00 C ATOM 301 O GLY A 22 14.295 -1.412 -8.486 1.00 0.00 O ATOM 0 H GLY A 22 13.556 2.545 -8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.788 0.861 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.530 0.874 -9.509 1.00 0.00 H new ATOM 305 N LYS A 23 14.641 -0.037 -6.739 1.00 0.00 N ATOM 306 CA LYS A 23 14.573 -1.103 -5.746 1.00 0.00 C ATOM 307 C LYS A 23 13.147 -1.625 -5.605 1.00 0.00 C ATOM 308 O LYS A 23 12.185 -0.910 -5.882 1.00 0.00 O ATOM 309 CB LYS A 23 15.079 -0.599 -4.392 1.00 0.00 C ATOM 310 CG LYS A 23 16.593 -0.599 -4.271 1.00 0.00 C ATOM 311 CD LYS A 23 17.114 -1.936 -3.771 1.00 0.00 C ATOM 312 CE LYS A 23 18.584 -2.124 -4.110 1.00 0.00 C ATOM 313 NZ LYS A 23 19.419 -1.003 -3.597 1.00 0.00 N ATOM 0 H LYS A 23 14.807 0.891 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 23 15.209 -1.921 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.710 0.414 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.660 -1.222 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.036 -0.375 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.904 0.192 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.978 -2.000 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.531 -2.743 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.937 -3.064 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.701 -2.199 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.425 -1.232 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.191 -0.133 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.225 -0.860 -2.585 1.00 0.00 H new ATOM 327 N GLU A 24 13.019 -2.875 -5.170 1.00 0.00 N ATOM 328 CA GLU A 24 11.709 -3.491 -4.992 1.00 0.00 C ATOM 329 C GLU A 24 11.109 -3.112 -3.641 1.00 0.00 C ATOM 330 O GLU A 24 11.470 -3.679 -2.609 1.00 0.00 O ATOM 331 CB GLU A 24 11.817 -5.013 -5.106 1.00 0.00 C ATOM 332 CG GLU A 24 10.473 -5.710 -5.231 1.00 0.00 C ATOM 333 CD GLU A 24 10.604 -7.153 -5.678 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.389 -7.898 -5.055 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.922 -7.537 -6.651 1.00 0.00 O ATOM 0 H GLU A 24 13.806 -3.480 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 24 11.052 -3.121 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.428 -5.262 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.337 -5.399 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.960 -5.676 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.851 -5.168 -5.944 1.00 0.00 H new ATOM 342 N ILE A 25 10.192 -2.151 -3.655 1.00 0.00 N ATOM 343 CA ILE A 25 9.542 -1.697 -2.432 1.00 0.00 C ATOM 344 C ILE A 25 8.654 -2.788 -1.844 1.00 0.00 C ATOM 345 O ILE A 25 7.955 -3.494 -2.573 1.00 0.00 O ATOM 346 CB ILE A 25 8.692 -0.437 -2.681 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.540 0.657 -3.334 1.00 0.00 C ATOM 348 CG2 ILE A 25 8.089 0.061 -1.376 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.746 1.583 -4.228 1.00 0.00 C ATOM 0 H ILE A 25 9.882 -1.671 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 25 10.335 -1.456 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 25 7.879 -0.694 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.024 1.245 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.332 0.191 -3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.491 0.952 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.455 -0.716 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.888 0.304 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.411 2.333 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.284 1.007 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.971 2.077 -3.643 1.00 0.00 H new ATOM 361 N CYS A 26 8.685 -2.920 -0.523 1.00 0.00 N ATOM 362 CA CYS A 26 7.882 -3.925 0.164 1.00 0.00 C ATOM 363 C CYS A 26 7.000 -3.281 1.229 1.00 0.00 C ATOM 364 O CYS A 26 7.472 -2.487 2.044 1.00 0.00 O ATOM 365 CB CYS A 26 8.785 -4.981 0.802 1.00 0.00 C ATOM 366 SG CYS A 26 9.868 -4.339 2.100 1.00 0.00 S ATOM 0 H CYS A 26 9.257 -2.344 0.094 1.00 0.00 H new ATOM 0 HA CYS A 26 7.238 -4.406 -0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.162 -5.771 1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.398 -5.437 0.025 1.00 0.00 H new ATOM 0 HG CYS A 26 9.328 -3.283 2.633 1.00 0.00 H new ATOM 372 N LEU A 27 5.718 -3.628 1.217 1.00 0.00 N ATOM 373 CA LEU A 27 4.768 -3.083 2.181 1.00 0.00 C ATOM 374 C LEU A 27 3.707 -4.117 2.544 1.00 0.00 C ATOM 375 O LEU A 27 3.036 -4.667 1.671 1.00 0.00 O ATOM 376 CB LEU A 27 4.102 -1.827 1.616 1.00 0.00 C ATOM 377 CG LEU A 27 5.002 -0.601 1.463 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.416 0.367 0.447 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.199 0.087 2.806 1.00 0.00 C ATOM 0 H LEU A 27 5.312 -4.284 0.550 1.00 0.00 H new ATOM 0 HA LEU A 27 5.316 -2.820 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.684 -2.070 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.266 -1.561 2.263 1.00 0.00 H new ATOM 0 HG LEU A 27 5.975 -0.931 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.070 1.234 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.327 -0.129 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.430 0.691 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.842 0.958 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.233 0.404 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.664 -0.608 3.506 1.00 0.00 H new ATOM 391 N LYS A 28 3.559 -4.375 3.839 1.00 0.00 N ATOM 392 CA LYS A 28 2.577 -5.339 4.320 1.00 0.00 C ATOM 393 C LYS A 28 1.944 -4.867 5.626 1.00 0.00 C ATOM 394 O LYS A 28 2.622 -4.307 6.488 1.00 0.00 O ATOM 395 CB LYS A 28 3.232 -6.707 4.524 1.00 0.00 C ATOM 396 CG LYS A 28 2.357 -7.695 5.276 1.00 0.00 C ATOM 397 CD LYS A 28 3.135 -8.938 5.674 1.00 0.00 C ATOM 398 CE LYS A 28 3.951 -8.705 6.936 1.00 0.00 C ATOM 399 NZ LYS A 28 4.207 -9.973 7.673 1.00 0.00 N ATOM 0 H LYS A 28 4.107 -3.929 4.575 1.00 0.00 H new ATOM 0 HA LYS A 28 1.793 -5.427 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.486 -7.127 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.167 -6.575 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.951 -7.218 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.509 -7.979 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.444 -9.765 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.798 -9.230 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.901 -8.239 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.423 -8.007 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.766 -9.772 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.301 -10.405 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.733 -10.630 7.062 1.00 0.00 H new ATOM 413 N CYS A 29 0.643 -5.097 5.764 1.00 0.00 N ATOM 414 CA CYS A 29 -0.080 -4.696 6.966 1.00 0.00 C ATOM 415 C CYS A 29 -1.082 -5.768 7.380 1.00 0.00 C ATOM 416 O CYS A 29 -1.384 -6.680 6.611 1.00 0.00 O ATOM 417 CB CYS A 29 -0.803 -3.368 6.731 1.00 0.00 C ATOM 418 SG CYS A 29 -1.822 -3.337 5.237 1.00 0.00 S ATOM 0 H CYS A 29 0.068 -5.558 5.059 1.00 0.00 H new ATOM 0 HA CYS A 29 0.644 -4.570 7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.434 -3.153 7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.063 -2.570 6.670 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.394 -2.175 5.126 1.00 0.00 H new ATOM 424 N GLU A 30 -1.593 -5.652 8.602 1.00 0.00 N ATOM 425 CA GLU A 30 -2.559 -6.614 9.120 1.00 0.00 C ATOM 426 C GLU A 30 -3.860 -5.920 9.515 1.00 0.00 C ATOM 427 O GLU A 30 -3.850 -4.779 9.980 1.00 0.00 O ATOM 428 CB GLU A 30 -1.978 -7.356 10.325 1.00 0.00 C ATOM 429 CG GLU A 30 -2.746 -8.615 10.692 1.00 0.00 C ATOM 430 CD GLU A 30 -2.152 -9.331 11.890 1.00 0.00 C ATOM 431 OE1 GLU A 30 -2.348 -8.851 13.026 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.493 -10.373 11.691 1.00 0.00 O ATOM 0 H GLU A 30 -1.354 -4.902 9.251 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.776 -7.333 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.942 -7.621 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.966 -6.684 11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.783 -8.355 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.757 -9.292 9.838 1.00 0.00 H new ATOM 439 N ILE A 31 -4.976 -6.615 9.326 1.00 0.00 N ATOM 440 CA ILE A 31 -6.284 -6.066 9.663 1.00 0.00 C ATOM 441 C ILE A 31 -7.154 -7.107 10.360 1.00 0.00 C ATOM 442 O ILE A 31 -6.963 -8.310 10.182 1.00 0.00 O ATOM 443 CB ILE A 31 -7.019 -5.554 8.411 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.208 -6.690 7.404 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.251 -4.402 7.780 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.274 -6.408 6.368 1.00 0.00 C ATOM 0 H ILE A 31 -5.001 -7.559 8.941 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.110 -5.229 10.340 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.002 -5.190 8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.261 -6.877 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.468 -7.602 7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.783 -4.051 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.163 -3.587 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.256 -4.742 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.353 -7.256 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.231 -6.250 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.006 -5.514 5.804 1.00 0.00 H new ATOM 458 N SER A 32 -8.111 -6.636 11.152 1.00 0.00 N ATOM 459 CA SER A 32 -9.010 -7.526 11.877 1.00 0.00 C ATOM 460 C SER A 32 -10.267 -7.812 11.061 1.00 0.00 C ATOM 461 O SER A 32 -11.380 -7.781 11.585 1.00 0.00 O ATOM 462 CB SER A 32 -9.392 -6.911 13.225 1.00 0.00 C ATOM 463 OG SER A 32 -10.103 -7.840 14.026 1.00 0.00 O ATOM 0 H SER A 32 -8.284 -5.643 11.308 1.00 0.00 H new ATOM 0 HA SER A 32 -8.488 -8.467 12.049 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.492 -6.588 13.749 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.003 -6.023 13.063 1.00 0.00 H new ATOM 0 HG SER A 32 -10.896 -8.151 13.541 1.00 0.00 H new ATOM 469 N GLU A 33 -10.079 -8.089 9.775 1.00 0.00 N ATOM 470 CA GLU A 33 -11.198 -8.379 8.885 1.00 0.00 C ATOM 471 C GLU A 33 -10.712 -9.039 7.598 1.00 0.00 C ATOM 472 O GLU A 33 -9.575 -8.835 7.174 1.00 0.00 O ATOM 473 CB GLU A 33 -11.962 -7.095 8.556 1.00 0.00 C ATOM 474 CG GLU A 33 -13.401 -7.336 8.129 1.00 0.00 C ATOM 475 CD GLU A 33 -14.150 -8.240 9.088 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.566 -7.751 10.160 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.321 -9.435 8.768 1.00 0.00 O ATOM 0 H GLU A 33 -9.164 -8.119 9.326 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.867 -9.070 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.955 -6.444 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.439 -6.565 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.920 -6.380 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.411 -7.780 7.134 1.00 0.00 H new ATOM 484 N ASN A 34 -11.582 -9.833 6.982 1.00 0.00 N ATOM 485 CA ASN A 34 -11.243 -10.524 5.744 1.00 0.00 C ATOM 486 C ASN A 34 -11.999 -9.926 4.561 1.00 0.00 C ATOM 487 O ASN A 34 -12.798 -10.605 3.915 1.00 0.00 O ATOM 488 CB ASN A 34 -11.560 -12.016 5.865 1.00 0.00 C ATOM 489 CG ASN A 34 -10.884 -12.656 7.062 1.00 0.00 C ATOM 490 OD1 ASN A 34 -11.175 -12.316 8.209 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.974 -13.587 6.799 1.00 0.00 N ATOM 0 H ASN A 34 -12.527 -10.014 7.320 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.174 -10.399 5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.639 -12.150 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.243 -12.527 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.484 -14.052 7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.765 -13.837 5.833 1.00 0.00 H new ATOM 498 N ILE A 35 -11.741 -8.653 4.284 1.00 0.00 N ATOM 499 CA ILE A 35 -12.396 -7.964 3.178 1.00 0.00 C ATOM 500 C ILE A 35 -11.372 -7.340 2.236 1.00 0.00 C ATOM 501 O ILE A 35 -10.304 -6.888 2.650 1.00 0.00 O ATOM 502 CB ILE A 35 -13.348 -6.865 3.685 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.592 -5.877 4.577 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.516 -7.482 4.439 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.951 -4.740 3.812 1.00 0.00 C ATOM 0 H ILE A 35 -11.083 -8.077 4.810 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.974 -8.713 2.637 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.742 -6.322 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.281 -5.465 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.820 -6.414 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.180 -6.692 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.066 -8.149 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.141 -8.047 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.433 -4.080 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.237 -5.142 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.721 -4.178 3.283 1.00 0.00 H new ATOM 517 N PRO A 36 -11.704 -7.312 0.937 1.00 0.00 N ATOM 518 CA PRO A 36 -10.828 -6.744 -0.092 1.00 0.00 C ATOM 519 C PRO A 36 -10.719 -5.227 0.013 1.00 0.00 C ATOM 520 O PRO A 36 -11.727 -4.521 0.019 1.00 0.00 O ATOM 521 CB PRO A 36 -11.515 -7.141 -1.401 1.00 0.00 C ATOM 522 CG PRO A 36 -12.949 -7.315 -1.039 1.00 0.00 C ATOM 523 CD PRO A 36 -12.960 -7.833 0.372 1.00 0.00 C ATOM 0 HA PRO A 36 -9.805 -7.109 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.390 -6.372 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.094 -8.062 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.487 -6.370 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.440 -8.015 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.828 -7.475 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.992 -8.922 0.400 1.00 0.00 H new ATOM 531 N GLY A 37 -9.488 -4.730 0.096 1.00 0.00 N ATOM 532 CA GLY A 37 -9.271 -3.299 0.200 1.00 0.00 C ATOM 533 C GLY A 37 -8.606 -2.723 -1.035 1.00 0.00 C ATOM 534 O GLY A 37 -8.272 -3.453 -1.968 1.00 0.00 O ATOM 0 H GLY A 37 -8.638 -5.293 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.227 -2.800 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.652 -3.091 1.073 1.00 0.00 H new ATOM 538 N LYS A 38 -8.413 -1.408 -1.042 1.00 0.00 N ATOM 539 CA LYS A 38 -7.784 -0.733 -2.170 1.00 0.00 C ATOM 540 C LYS A 38 -6.760 0.291 -1.690 1.00 0.00 C ATOM 541 O LYS A 38 -6.995 1.006 -0.716 1.00 0.00 O ATOM 542 CB LYS A 38 -8.843 -0.044 -3.034 1.00 0.00 C ATOM 543 CG LYS A 38 -9.977 -0.963 -3.454 1.00 0.00 C ATOM 544 CD LYS A 38 -11.094 -0.194 -4.139 1.00 0.00 C ATOM 545 CE LYS A 38 -10.734 0.150 -5.577 1.00 0.00 C ATOM 546 NZ LYS A 38 -11.733 1.063 -6.196 1.00 0.00 N ATOM 0 H LYS A 38 -8.684 -0.789 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.268 -1.484 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.256 0.801 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.365 0.361 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.595 -1.729 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.372 -1.478 -2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.008 -0.787 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.299 0.722 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.750 0.618 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.667 -0.766 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.452 1.273 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.668 0.607 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.779 1.948 -5.652 1.00 0.00 H new ATOM 560 N TRP A 39 -5.627 0.356 -2.380 1.00 0.00 N ATOM 561 CA TRP A 39 -4.569 1.294 -2.023 1.00 0.00 C ATOM 562 C TRP A 39 -4.725 2.606 -2.785 1.00 0.00 C ATOM 563 O TRP A 39 -5.305 2.640 -3.871 1.00 0.00 O ATOM 564 CB TRP A 39 -3.198 0.681 -2.313 1.00 0.00 C ATOM 565 CG TRP A 39 -2.941 -0.586 -1.555 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.598 -1.774 -1.699 1.00 0.00 C ATOM 567 CD2 TRP A 39 -1.958 -0.790 -0.534 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.084 -2.705 -0.829 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.076 -2.126 -0.104 1.00 0.00 C ATOM 570 CE3 TRP A 39 -0.989 0.025 0.057 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.261 -2.662 0.890 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.182 -0.508 1.043 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.321 -1.841 1.451 1.00 0.00 C ATOM 0 H TRP A 39 -5.417 -0.229 -3.189 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.647 1.504 -0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.117 0.480 -3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.424 1.407 -2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.404 -1.955 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.401 -3.670 -0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.873 1.053 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.367 -3.689 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.569 0.114 1.508 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.327 -2.228 2.224 1.00 0.00 H new ATOM 584 N THR A 40 -4.203 3.685 -2.210 1.00 0.00 N ATOM 585 CA THR A 40 -4.285 4.999 -2.835 1.00 0.00 C ATOM 586 C THR A 40 -2.988 5.778 -2.650 1.00 0.00 C ATOM 587 O THR A 40 -2.386 5.756 -1.577 1.00 0.00 O ATOM 588 CB THR A 40 -5.452 5.823 -2.258 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.358 5.873 -0.830 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.790 5.224 -2.662 1.00 0.00 C ATOM 0 H THR A 40 -3.719 3.674 -1.312 1.00 0.00 H new ATOM 0 HA THR A 40 -4.457 4.833 -3.898 1.00 0.00 H new ATOM 0 HB THR A 40 -5.388 6.833 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.630 5.290 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.598 5.823 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.871 5.215 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.861 4.204 -2.284 1.00 0.00 H new ATOM 598 N LYS A 41 -2.562 6.466 -3.704 1.00 0.00 N ATOM 599 CA LYS A 41 -1.336 7.254 -3.659 1.00 0.00 C ATOM 600 C LYS A 41 -1.640 8.742 -3.799 1.00 0.00 C ATOM 601 O LYS A 41 -2.550 9.133 -4.529 1.00 0.00 O ATOM 602 CB LYS A 41 -0.379 6.812 -4.769 1.00 0.00 C ATOM 603 CG LYS A 41 0.966 7.515 -4.728 1.00 0.00 C ATOM 604 CD LYS A 41 1.753 7.287 -6.008 1.00 0.00 C ATOM 605 CE LYS A 41 2.773 8.392 -6.240 1.00 0.00 C ATOM 606 NZ LYS A 41 3.382 8.309 -7.596 1.00 0.00 N ATOM 0 H LYS A 41 -3.048 6.494 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.862 7.087 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.220 5.736 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.847 6.997 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.815 8.584 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.541 7.152 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.263 6.325 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.068 7.240 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.292 9.362 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.557 8.327 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.226 8.915 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.653 7.325 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.693 8.629 -8.306 1.00 0.00 H new ATOM 620 N ASN A 42 -0.872 9.567 -3.095 1.00 0.00 N ATOM 621 CA ASN A 42 -1.059 11.013 -3.141 1.00 0.00 C ATOM 622 C ASN A 42 -2.538 11.365 -3.274 1.00 0.00 C ATOM 623 O ASN A 42 -2.908 12.256 -4.038 1.00 0.00 O ATOM 624 CB ASN A 42 -0.274 11.612 -4.309 1.00 0.00 C ATOM 625 CG ASN A 42 1.226 11.511 -4.110 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.700 11.249 -3.005 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.981 11.719 -5.183 1.00 0.00 N ATOM 0 H ASN A 42 -0.114 9.259 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.686 11.433 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.551 11.099 -5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.552 12.659 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.997 11.664 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.545 11.934 -6.080 1.00 0.00 H new ATOM 634 N GLY A 43 -3.379 10.660 -2.523 1.00 0.00 N ATOM 635 CA GLY A 43 -4.807 10.913 -2.571 1.00 0.00 C ATOM 636 C GLY A 43 -5.414 10.560 -3.914 1.00 0.00 C ATOM 637 O GLY A 43 -6.250 11.297 -4.439 1.00 0.00 O ATOM 0 H GLY A 43 -3.097 9.918 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.301 10.336 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.994 11.965 -2.357 1.00 0.00 H new ATOM 641 N LEU A 44 -4.992 9.432 -4.474 1.00 0.00 N ATOM 642 CA LEU A 44 -5.498 8.983 -5.767 1.00 0.00 C ATOM 643 C LEU A 44 -5.594 7.462 -5.815 1.00 0.00 C ATOM 644 O LEU A 44 -4.826 6.746 -5.173 1.00 0.00 O ATOM 645 CB LEU A 44 -4.593 9.484 -6.893 1.00 0.00 C ATOM 646 CG LEU A 44 -4.428 11.001 -6.998 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.174 11.349 -7.784 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.656 11.628 -7.643 1.00 0.00 C ATOM 0 H LEU A 44 -4.301 8.811 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.498 9.396 -5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.606 9.040 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.987 9.115 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.324 11.406 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.074 12.432 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.302 10.933 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.246 10.931 -8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.521 12.708 -7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.791 11.217 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.536 11.409 -7.039 1.00 0.00 H new ATOM 660 N PRO A 45 -6.560 6.954 -6.596 1.00 0.00 N ATOM 661 CA PRO A 45 -6.778 5.513 -6.750 1.00 0.00 C ATOM 662 C PRO A 45 -5.655 4.837 -7.530 1.00 0.00 C ATOM 663 O PRO A 45 -5.490 5.070 -8.727 1.00 0.00 O ATOM 664 CB PRO A 45 -8.093 5.434 -7.528 1.00 0.00 C ATOM 665 CG PRO A 45 -8.172 6.723 -8.270 1.00 0.00 C ATOM 666 CD PRO A 45 -7.512 7.749 -7.390 1.00 0.00 C ATOM 0 HA PRO A 45 -6.805 5.000 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.099 4.584 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.943 5.311 -6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.666 6.651 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.208 6.993 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.005 8.515 -7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.236 8.260 -6.756 1.00 0.00 H new ATOM 674 N VAL A 46 -4.886 3.997 -6.843 1.00 0.00 N ATOM 675 CA VAL A 46 -3.780 3.286 -7.472 1.00 0.00 C ATOM 676 C VAL A 46 -4.286 2.296 -8.516 1.00 0.00 C ATOM 677 O VAL A 46 -5.209 1.525 -8.257 1.00 0.00 O ATOM 678 CB VAL A 46 -2.934 2.529 -6.431 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.815 1.756 -7.111 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.375 3.494 -5.397 1.00 0.00 C ATOM 0 H VAL A 46 -5.009 3.793 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.157 4.037 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.576 1.813 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.229 1.228 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.242 1.036 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.171 2.449 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.780 2.943 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.747 4.235 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.197 3.997 -4.887 1.00 0.00 H new ATOM 690 N GLN A 47 -3.674 2.324 -9.696 1.00 0.00 N ATOM 691 CA GLN A 47 -4.064 1.429 -10.779 1.00 0.00 C ATOM 692 C GLN A 47 -3.186 0.182 -10.796 1.00 0.00 C ATOM 693 O GLN A 47 -1.980 0.264 -11.026 1.00 0.00 O ATOM 694 CB GLN A 47 -3.970 2.151 -12.124 1.00 0.00 C ATOM 695 CG GLN A 47 -4.355 1.281 -13.310 1.00 0.00 C ATOM 696 CD GLN A 47 -5.844 1.306 -13.593 1.00 0.00 C ATOM 697 OE1 GLN A 47 -6.633 1.795 -12.785 1.00 0.00 O ATOM 698 NE2 GLN A 47 -6.236 0.778 -14.747 1.00 0.00 N ATOM 0 H GLN A 47 -2.907 2.956 -9.926 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.096 1.123 -10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.617 3.028 -12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.950 2.510 -12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.815 1.619 -14.194 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.042 0.254 -13.119 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.547 0.383 -15.387 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.226 0.767 -14.993 1.00 0.00 H new ATOM 707 N GLU A 48 -3.800 -0.971 -10.551 1.00 0.00 N ATOM 708 CA GLU A 48 -3.074 -2.235 -10.537 1.00 0.00 C ATOM 709 C GLU A 48 -2.563 -2.584 -11.932 1.00 0.00 C ATOM 710 O GLU A 48 -3.317 -2.559 -12.905 1.00 0.00 O ATOM 711 CB GLU A 48 -3.971 -3.359 -10.015 1.00 0.00 C ATOM 712 CG GLU A 48 -4.110 -3.373 -8.502 1.00 0.00 C ATOM 713 CD GLU A 48 -5.006 -4.493 -8.009 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.507 -5.625 -7.845 1.00 0.00 O ATOM 715 OE2 GLU A 48 -6.208 -4.235 -7.786 1.00 0.00 O ATOM 0 H GLU A 48 -4.798 -1.056 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.218 -2.125 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.960 -3.260 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.567 -4.317 -10.343 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.123 -3.477 -8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.513 -2.417 -8.169 1.00 0.00 H new ATOM 722 N SER A 49 -1.277 -2.909 -12.021 1.00 0.00 N ATOM 723 CA SER A 49 -0.664 -3.259 -13.297 1.00 0.00 C ATOM 724 C SER A 49 0.395 -4.342 -13.112 1.00 0.00 C ATOM 725 O SER A 49 0.619 -4.823 -12.001 1.00 0.00 O ATOM 726 CB SER A 49 -0.037 -2.022 -13.942 1.00 0.00 C ATOM 727 OG SER A 49 -1.017 -1.033 -14.206 1.00 0.00 O ATOM 0 H SER A 49 -0.640 -2.937 -11.225 1.00 0.00 H new ATOM 0 HA SER A 49 -1.444 -3.646 -13.953 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.729 -1.613 -13.283 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.459 -2.304 -14.871 1.00 0.00 H new ATOM 0 HG SER A 49 -0.591 -0.252 -14.617 1.00 0.00 H new ATOM 733 N ASP A 50 1.044 -4.719 -14.208 1.00 0.00 N ATOM 734 CA ASP A 50 2.081 -5.744 -14.168 1.00 0.00 C ATOM 735 C ASP A 50 3.182 -5.365 -13.182 1.00 0.00 C ATOM 736 O ASP A 50 3.697 -6.214 -12.455 1.00 0.00 O ATOM 737 CB ASP A 50 2.676 -5.952 -15.561 1.00 0.00 C ATOM 738 CG ASP A 50 3.383 -4.715 -16.079 1.00 0.00 C ATOM 739 OD1 ASP A 50 2.697 -3.703 -16.336 1.00 0.00 O ATOM 740 OD2 ASP A 50 4.622 -4.758 -16.228 1.00 0.00 O ATOM 0 H ASP A 50 0.871 -4.330 -15.135 1.00 0.00 H new ATOM 0 HA ASP A 50 1.624 -6.676 -13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.380 -6.784 -15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.882 -6.230 -16.254 1.00 0.00 H new ATOM 745 N ARG A 51 3.538 -4.085 -13.164 1.00 0.00 N ATOM 746 CA ARG A 51 4.580 -3.594 -12.270 1.00 0.00 C ATOM 747 C ARG A 51 4.036 -3.402 -10.857 1.00 0.00 C ATOM 748 O ARG A 51 4.799 -3.303 -9.895 1.00 0.00 O ATOM 749 CB ARG A 51 5.150 -2.274 -12.792 1.00 0.00 C ATOM 750 CG ARG A 51 4.086 -1.239 -13.123 1.00 0.00 C ATOM 751 CD ARG A 51 4.682 0.155 -13.238 1.00 0.00 C ATOM 752 NE ARG A 51 4.912 0.762 -11.930 1.00 0.00 N ATOM 753 CZ ARG A 51 4.980 2.073 -11.730 1.00 0.00 C ATOM 754 NH1 ARG A 51 4.836 2.911 -12.748 1.00 0.00 N ATOM 755 NH2 ARG A 51 5.192 2.550 -10.510 1.00 0.00 N ATOM 0 H ARG A 51 3.120 -3.369 -13.758 1.00 0.00 H new ATOM 0 HA ARG A 51 5.376 -4.337 -12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.828 -1.860 -12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.743 -2.472 -13.685 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.597 -1.505 -14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.318 -1.245 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.624 0.102 -13.784 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.012 0.789 -13.819 1.00 0.00 H new ATOM 0 HE ARG A 51 5.027 0.145 -11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.673 2.549 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.889 3.918 -12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.303 1.909 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.244 3.557 -10.358 1.00 0.00 H new ATOM 769 N LEU A 52 2.714 -3.349 -10.739 1.00 0.00 N ATOM 770 CA LEU A 52 2.068 -3.168 -9.444 1.00 0.00 C ATOM 771 C LEU A 52 1.150 -4.344 -9.124 1.00 0.00 C ATOM 772 O LEU A 52 -0.027 -4.342 -9.486 1.00 0.00 O ATOM 773 CB LEU A 52 1.270 -1.864 -9.427 1.00 0.00 C ATOM 774 CG LEU A 52 1.120 -1.185 -8.065 1.00 0.00 C ATOM 775 CD1 LEU A 52 0.936 0.315 -8.233 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.048 -1.785 -7.296 1.00 0.00 C ATOM 0 H LEU A 52 2.068 -3.429 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 52 2.846 -3.120 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.747 -1.161 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.274 -2.066 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 52 2.032 -1.356 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.831 0.781 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.804 0.733 -8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.041 0.508 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.140 -1.290 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.968 -1.645 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.126 -2.850 -7.143 1.00 0.00 H new ATOM 788 N LYS A 53 1.695 -5.345 -8.443 1.00 0.00 N ATOM 789 CA LYS A 53 0.925 -6.527 -8.071 1.00 0.00 C ATOM 790 C LYS A 53 0.474 -6.446 -6.616 1.00 0.00 C ATOM 791 O LYS A 53 1.297 -6.378 -5.703 1.00 0.00 O ATOM 792 CB LYS A 53 1.757 -7.792 -8.288 1.00 0.00 C ATOM 793 CG LYS A 53 0.925 -9.018 -8.621 1.00 0.00 C ATOM 794 CD LYS A 53 0.279 -8.899 -9.991 1.00 0.00 C ATOM 795 CE LYS A 53 -0.524 -10.143 -10.339 1.00 0.00 C ATOM 796 NZ LYS A 53 -1.670 -10.342 -9.409 1.00 0.00 N ATOM 0 H LYS A 53 2.668 -5.362 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 53 0.040 -6.568 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.467 -7.615 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.340 -7.992 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.556 -9.906 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.152 -9.151 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.373 -8.026 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.050 -8.739 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.895 -10.061 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.127 -11.017 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.305 -11.071 -9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.315 -10.646 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.192 -9.448 -9.305 1.00 0.00 H new ATOM 810 N VAL A 54 -0.839 -6.456 -6.407 1.00 0.00 N ATOM 811 CA VAL A 54 -1.399 -6.386 -5.062 1.00 0.00 C ATOM 812 C VAL A 54 -1.794 -7.770 -4.559 1.00 0.00 C ATOM 813 O VAL A 54 -2.809 -8.328 -4.976 1.00 0.00 O ATOM 814 CB VAL A 54 -2.632 -5.464 -5.015 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.225 -5.437 -3.615 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.265 -4.061 -5.475 1.00 0.00 C ATOM 0 H VAL A 54 -1.534 -6.512 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.623 -5.976 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.386 -5.859 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.095 -4.781 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.526 -6.445 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.480 -5.067 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.148 -3.423 -5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.493 -3.654 -4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.891 -4.100 -6.498 1.00 0.00 H new ATOM 826 N VAL A 55 -0.985 -8.320 -3.659 1.00 0.00 N ATOM 827 CA VAL A 55 -1.250 -9.639 -3.097 1.00 0.00 C ATOM 828 C VAL A 55 -1.954 -9.530 -1.749 1.00 0.00 C ATOM 829 O VAL A 55 -1.624 -8.669 -0.934 1.00 0.00 O ATOM 830 CB VAL A 55 0.050 -10.446 -2.922 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.237 -11.784 -2.259 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.740 -10.643 -4.263 1.00 0.00 C ATOM 0 H VAL A 55 -0.140 -7.872 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.899 -10.159 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 55 0.721 -9.883 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.693 -12.340 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.683 -11.616 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.927 -12.356 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.657 -11.215 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.076 -11.184 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.982 -9.671 -4.694 1.00 0.00 H new ATOM 842 N GLN A 56 -2.924 -10.409 -1.522 1.00 0.00 N ATOM 843 CA GLN A 56 -3.675 -10.412 -0.272 1.00 0.00 C ATOM 844 C GLN A 56 -3.667 -11.798 0.364 1.00 0.00 C ATOM 845 O GLN A 56 -3.923 -12.801 -0.303 1.00 0.00 O ATOM 846 CB GLN A 56 -5.115 -9.958 -0.517 1.00 0.00 C ATOM 847 CG GLN A 56 -5.949 -9.872 0.751 1.00 0.00 C ATOM 848 CD GLN A 56 -7.330 -9.296 0.503 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.607 -8.758 -0.569 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.205 -9.407 1.496 1.00 0.00 N ATOM 0 H GLN A 56 -3.209 -11.128 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.194 -9.715 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.102 -8.981 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.593 -10.650 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.047 -10.867 1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.428 -9.255 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.932 -9.861 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.150 -9.038 1.387 1.00 0.00 H new ATOM 859 N LYS A 57 -3.372 -11.847 1.659 1.00 0.00 N ATOM 860 CA LYS A 57 -3.332 -13.110 2.387 1.00 0.00 C ATOM 861 C LYS A 57 -4.221 -13.051 3.626 1.00 0.00 C ATOM 862 O LYS A 57 -3.820 -12.527 4.665 1.00 0.00 O ATOM 863 CB LYS A 57 -1.895 -13.443 2.793 1.00 0.00 C ATOM 864 CG LYS A 57 -1.067 -14.036 1.666 1.00 0.00 C ATOM 865 CD LYS A 57 0.369 -14.283 2.099 1.00 0.00 C ATOM 866 CE LYS A 57 1.070 -15.263 1.171 1.00 0.00 C ATOM 867 NZ LYS A 57 0.469 -16.624 1.245 1.00 0.00 N ATOM 0 H LYS A 57 -3.157 -11.027 2.226 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.707 -13.893 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.408 -12.536 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.915 -14.145 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.516 -14.974 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.079 -13.361 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.914 -13.339 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.381 -14.672 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.014 -14.896 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.127 -15.318 1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.167 -17.329 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.188 -16.827 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.368 -16.668 0.629 1.00 0.00 H new ATOM 881 N GLY A 58 -5.429 -13.595 3.509 1.00 0.00 N ATOM 882 CA GLY A 58 -6.353 -13.595 4.627 1.00 0.00 C ATOM 883 C GLY A 58 -6.521 -12.219 5.242 1.00 0.00 C ATOM 884 O GLY A 58 -7.172 -11.349 4.664 1.00 0.00 O ATOM 0 H GLY A 58 -5.783 -14.035 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.324 -13.961 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.997 -14.289 5.389 1.00 0.00 H new ATOM 888 N ARG A 59 -5.933 -12.023 6.417 1.00 0.00 N ATOM 889 CA ARG A 59 -6.023 -10.744 7.112 1.00 0.00 C ATOM 890 C ARG A 59 -4.707 -9.977 7.011 1.00 0.00 C ATOM 891 O ARG A 59 -4.206 -9.451 8.005 1.00 0.00 O ATOM 892 CB ARG A 59 -6.386 -10.962 8.582 1.00 0.00 C ATOM 893 CG ARG A 59 -7.881 -11.083 8.828 1.00 0.00 C ATOM 894 CD ARG A 59 -8.197 -11.158 10.313 1.00 0.00 C ATOM 895 NE ARG A 59 -8.167 -12.531 10.810 1.00 0.00 N ATOM 896 CZ ARG A 59 -8.750 -12.917 11.940 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.405 -12.037 12.686 1.00 0.00 N ATOM 898 NH2 ARG A 59 -8.679 -14.184 12.326 1.00 0.00 N ATOM 0 H ARG A 59 -5.389 -12.733 6.908 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.806 -10.154 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.893 -11.866 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.995 -10.132 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.394 -10.227 8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.262 -11.974 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.477 -10.556 10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.181 -10.727 10.496 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.671 -13.232 10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.462 -11.062 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.852 -12.336 13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.176 -14.864 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.127 -14.479 13.194 1.00 0.00 H new ATOM 912 N ILE A 60 -4.154 -9.919 5.804 1.00 0.00 N ATOM 913 CA ILE A 60 -2.898 -9.216 5.574 1.00 0.00 C ATOM 914 C ILE A 60 -2.776 -8.770 4.121 1.00 0.00 C ATOM 915 O ILE A 60 -2.867 -9.583 3.200 1.00 0.00 O ATOM 916 CB ILE A 60 -1.686 -10.097 5.932 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.754 -10.523 7.400 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.389 -9.353 5.650 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.608 -11.415 7.823 1.00 0.00 C ATOM 0 H ILE A 60 -4.556 -10.350 4.971 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.904 -8.339 6.222 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.710 -10.993 5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.762 -9.632 8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.694 -11.045 7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.458 -9.988 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.340 -9.095 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.355 -8.442 6.248 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.721 -11.678 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.612 -12.323 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.335 -10.888 7.680 1.00 0.00 H new ATOM 931 N HIS A 61 -2.568 -7.472 3.921 1.00 0.00 N ATOM 932 CA HIS A 61 -2.431 -6.917 2.579 1.00 0.00 C ATOM 933 C HIS A 61 -0.970 -6.613 2.264 1.00 0.00 C ATOM 934 O HIS A 61 -0.311 -5.863 2.985 1.00 0.00 O ATOM 935 CB HIS A 61 -3.270 -5.646 2.442 1.00 0.00 C ATOM 936 CG HIS A 61 -4.676 -5.902 1.994 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.083 -5.776 0.683 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.772 -6.281 2.692 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.369 -6.064 0.594 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.811 -6.375 1.799 1.00 0.00 N ATOM 0 H HIS A 61 -2.491 -6.785 4.671 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.791 -7.659 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.292 -5.130 3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.787 -4.976 1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.820 -6.474 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.959 -6.048 -0.311 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.768 -6.642 2.029 1.00 0.00 H new ATOM 949 N LYS A 62 -0.468 -7.200 1.182 1.00 0.00 N ATOM 950 CA LYS A 62 0.915 -6.992 0.770 1.00 0.00 C ATOM 951 C LYS A 62 0.980 -6.320 -0.598 1.00 0.00 C ATOM 952 O LYS A 62 0.233 -6.675 -1.511 1.00 0.00 O ATOM 953 CB LYS A 62 1.663 -8.326 0.730 1.00 0.00 C ATOM 954 CG LYS A 62 3.146 -8.183 0.437 1.00 0.00 C ATOM 955 CD LYS A 62 3.696 -9.411 -0.269 1.00 0.00 C ATOM 956 CE LYS A 62 3.745 -10.614 0.661 1.00 0.00 C ATOM 957 NZ LYS A 62 3.865 -11.893 -0.092 1.00 0.00 N ATOM 0 H LYS A 62 -0.999 -7.824 0.575 1.00 0.00 H new ATOM 0 HA LYS A 62 1.391 -6.337 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.537 -8.832 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.211 -8.964 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.312 -7.301 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.688 -8.025 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.075 -9.644 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.697 -9.199 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.590 -10.513 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.844 -10.636 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.895 -12.688 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.046 -12.003 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.738 -11.883 -0.657 1.00 0.00 H new ATOM 971 N LEU A 63 1.877 -5.350 -0.733 1.00 0.00 N ATOM 972 CA LEU A 63 2.040 -4.629 -1.991 1.00 0.00 C ATOM 973 C LEU A 63 3.501 -4.253 -2.218 1.00 0.00 C ATOM 974 O LEU A 63 4.104 -3.546 -1.410 1.00 0.00 O ATOM 975 CB LEU A 63 1.172 -3.370 -1.997 1.00 0.00 C ATOM 976 CG LEU A 63 1.093 -2.614 -3.324 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.234 -1.882 -3.444 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.255 -1.640 -3.453 1.00 0.00 C ATOM 0 H LEU A 63 2.503 -5.044 0.012 1.00 0.00 H new ATOM 0 HA LEU A 63 1.722 -5.286 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.161 -3.649 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.551 -2.688 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 63 1.159 -3.338 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.271 -1.350 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.052 -2.601 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.332 -1.169 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.183 -1.111 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.220 -0.922 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.196 -2.189 -3.414 1.00 0.00 H new ATOM 990 N VAL A 64 4.065 -4.730 -3.323 1.00 0.00 N ATOM 991 CA VAL A 64 5.454 -4.442 -3.658 1.00 0.00 C ATOM 992 C VAL A 64 5.588 -3.993 -5.109 1.00 0.00 C ATOM 993 O VAL A 64 5.009 -4.597 -6.012 1.00 0.00 O ATOM 994 CB VAL A 64 6.354 -5.671 -3.428 1.00 0.00 C ATOM 995 CG1 VAL A 64 6.276 -6.126 -1.978 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.964 -6.800 -4.371 1.00 0.00 C ATOM 0 H VAL A 64 3.581 -5.318 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 64 5.777 -3.636 -2.999 1.00 0.00 H new ATOM 0 HB VAL A 64 7.385 -5.390 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.918 -6.995 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.607 -5.318 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.247 -6.391 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.610 -7.660 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.927 -7.082 -4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.076 -6.467 -5.403 1.00 0.00 H new ATOM 1006 N ILE A 65 6.355 -2.930 -5.325 1.00 0.00 N ATOM 1007 CA ILE A 65 6.566 -2.400 -6.667 1.00 0.00 C ATOM 1008 C ILE A 65 7.802 -3.017 -7.312 1.00 0.00 C ATOM 1009 O ILE A 65 8.782 -3.323 -6.634 1.00 0.00 O ATOM 1010 CB ILE A 65 6.719 -0.868 -6.650 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.551 -0.225 -5.900 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.806 -0.328 -8.069 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.734 1.256 -5.652 1.00 0.00 C ATOM 0 H ILE A 65 6.841 -2.419 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 65 5.684 -2.661 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 65 7.643 -0.616 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.635 -0.379 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.421 -0.732 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.914 0.756 -8.040 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.668 -0.765 -8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.898 -0.588 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.868 1.645 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.632 1.417 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.834 1.775 -6.605 1.00 0.00 H new ATOM 1025 N ALA A 66 7.749 -3.194 -8.629 1.00 0.00 N ATOM 1026 CA ALA A 66 8.866 -3.770 -9.367 1.00 0.00 C ATOM 1027 C ALA A 66 10.031 -2.790 -9.453 1.00 0.00 C ATOM 1028 O ALA A 66 11.188 -3.171 -9.288 1.00 0.00 O ATOM 1029 CB ALA A 66 8.418 -4.185 -10.761 1.00 0.00 C ATOM 0 H ALA A 66 6.945 -2.947 -9.206 1.00 0.00 H new ATOM 0 HA ALA A 66 9.209 -4.654 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.262 -4.614 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.623 -4.927 -10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.048 -3.312 -11.299 1.00 0.00 H new ATOM 1035 N ASN A 67 9.716 -1.525 -9.714 1.00 0.00 N ATOM 1036 CA ASN A 67 10.738 -0.490 -9.824 1.00 0.00 C ATOM 1037 C ASN A 67 10.333 0.758 -9.046 1.00 0.00 C ATOM 1038 O ASN A 67 9.377 1.444 -9.406 1.00 0.00 O ATOM 1039 CB ASN A 67 10.978 -0.134 -11.292 1.00 0.00 C ATOM 1040 CG ASN A 67 11.654 -1.256 -12.056 1.00 0.00 C ATOM 1041 OD1 ASN A 67 11.002 -2.017 -12.770 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.970 -1.362 -11.909 1.00 0.00 N ATOM 0 H ASN A 67 8.762 -1.192 -9.853 1.00 0.00 H new ATOM 0 HA ASN A 67 11.662 -0.880 -9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.025 0.102 -11.766 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.594 0.764 -11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.480 -2.097 -12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.470 -0.708 -11.306 1.00 0.00 H new ATOM 1049 N ALA A 68 11.069 1.048 -7.977 1.00 0.00 N ATOM 1050 CA ALA A 68 10.789 2.214 -7.150 1.00 0.00 C ATOM 1051 C ALA A 68 11.087 3.506 -7.904 1.00 0.00 C ATOM 1052 O ALA A 68 12.172 4.075 -7.779 1.00 0.00 O ATOM 1053 CB ALA A 68 11.598 2.155 -5.862 1.00 0.00 C ATOM 0 H ALA A 68 11.864 0.490 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 68 9.728 2.205 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.379 3.033 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.334 1.254 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.661 2.136 -6.101 1.00 0.00 H new ATOM 1059 N LEU A 69 10.117 3.965 -8.687 1.00 0.00 N ATOM 1060 CA LEU A 69 10.275 5.190 -9.463 1.00 0.00 C ATOM 1061 C LEU A 69 10.032 6.420 -8.594 1.00 0.00 C ATOM 1062 O LEU A 69 9.274 6.369 -7.624 1.00 0.00 O ATOM 1063 CB LEU A 69 9.311 5.193 -10.651 1.00 0.00 C ATOM 1064 CG LEU A 69 9.602 4.174 -11.753 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.469 4.148 -12.767 1.00 0.00 C ATOM 1066 CD2 LEU A 69 10.924 4.490 -12.437 1.00 0.00 C ATOM 0 H LEU A 69 9.213 3.507 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 69 11.299 5.226 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.303 5.015 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.315 6.189 -11.094 1.00 0.00 H new ATOM 0 HG LEU A 69 9.679 3.187 -11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.693 3.417 -13.544 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.540 3.873 -12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.361 5.135 -13.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.114 3.754 -13.218 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.876 5.485 -12.879 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.730 4.457 -11.704 1.00 0.00 H new ATOM 1078 N THR A 70 10.680 7.526 -8.948 1.00 0.00 N ATOM 1079 CA THR A 70 10.534 8.769 -8.201 1.00 0.00 C ATOM 1080 C THR A 70 9.079 9.013 -7.818 1.00 0.00 C ATOM 1081 O THR A 70 8.790 9.528 -6.738 1.00 0.00 O ATOM 1082 CB THR A 70 11.048 9.974 -9.011 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.624 9.865 -10.374 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.566 10.058 -8.951 1.00 0.00 C ATOM 0 H THR A 70 11.311 7.586 -9.747 1.00 0.00 H new ATOM 0 HA THR A 70 11.133 8.666 -7.296 1.00 0.00 H new ATOM 0 HB THR A 70 10.632 10.882 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.953 10.636 -10.882 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.906 10.916 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.883 10.171 -7.914 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.997 9.147 -9.365 1.00 0.00 H new ATOM 1092 N GLU A 71 8.166 8.638 -8.709 1.00 0.00 N ATOM 1093 CA GLU A 71 6.740 8.817 -8.462 1.00 0.00 C ATOM 1094 C GLU A 71 6.343 8.225 -7.113 1.00 0.00 C ATOM 1095 O GLU A 71 5.570 8.823 -6.364 1.00 0.00 O ATOM 1096 CB GLU A 71 5.921 8.166 -9.578 1.00 0.00 C ATOM 1097 CG GLU A 71 6.615 8.180 -10.930 1.00 0.00 C ATOM 1098 CD GLU A 71 5.636 8.223 -12.088 1.00 0.00 C ATOM 1099 OE1 GLU A 71 5.256 9.337 -12.503 1.00 0.00 O ATOM 1100 OE2 GLU A 71 5.251 7.141 -12.578 1.00 0.00 O ATOM 0 H GLU A 71 8.388 8.209 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 71 6.532 9.887 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.702 7.134 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.965 8.683 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.276 9.045 -10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.242 7.293 -11.022 1.00 0.00 H new ATOM 1107 N ASP A 72 6.876 7.047 -6.811 1.00 0.00 N ATOM 1108 CA ASP A 72 6.578 6.373 -5.553 1.00 0.00 C ATOM 1109 C ASP A 72 6.788 7.313 -4.370 1.00 0.00 C ATOM 1110 O ASP A 72 6.151 7.165 -3.327 1.00 0.00 O ATOM 1111 CB ASP A 72 7.457 5.130 -5.395 1.00 0.00 C ATOM 1112 CG ASP A 72 7.730 4.796 -3.941 1.00 0.00 C ATOM 1113 OD1 ASP A 72 6.756 4.606 -3.184 1.00 0.00 O ATOM 1114 OD2 ASP A 72 8.918 4.724 -3.562 1.00 0.00 O ATOM 0 H ASP A 72 7.517 6.539 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 72 5.531 6.069 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 72 6.970 4.281 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.403 5.289 -5.912 1.00 0.00 H new ATOM 1119 N GLU A 73 7.686 8.279 -4.540 1.00 0.00 N ATOM 1120 CA GLU A 73 7.981 9.241 -3.485 1.00 0.00 C ATOM 1121 C GLU A 73 6.775 10.136 -3.213 1.00 0.00 C ATOM 1122 O GLU A 73 6.386 10.946 -4.054 1.00 0.00 O ATOM 1123 CB GLU A 73 9.189 10.098 -3.868 1.00 0.00 C ATOM 1124 CG GLU A 73 9.715 10.954 -2.728 1.00 0.00 C ATOM 1125 CD GLU A 73 10.356 12.240 -3.212 1.00 0.00 C ATOM 1126 OE1 GLU A 73 10.931 12.235 -4.321 1.00 0.00 O ATOM 1127 OE2 GLU A 73 10.283 13.251 -2.483 1.00 0.00 O ATOM 0 H GLU A 73 8.221 8.416 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 73 8.213 8.685 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.989 9.447 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.915 10.746 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.895 11.194 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.445 10.382 -2.156 1.00 0.00 H new ATOM 1134 N GLY A 74 6.186 9.983 -2.031 1.00 0.00 N ATOM 1135 CA GLY A 74 5.030 10.782 -1.668 1.00 0.00 C ATOM 1136 C GLY A 74 4.342 10.273 -0.417 1.00 0.00 C ATOM 1137 O GLY A 74 4.883 10.378 0.684 1.00 0.00 O ATOM 0 H GLY A 74 6.489 9.320 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.341 11.815 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.319 10.783 -2.495 1.00 0.00 H new ATOM 1141 N ASP A 75 3.146 9.721 -0.585 1.00 0.00 N ATOM 1142 CA ASP A 75 2.382 9.194 0.540 1.00 0.00 C ATOM 1143 C ASP A 75 1.449 8.075 0.087 1.00 0.00 C ATOM 1144 O ASP A 75 0.895 8.122 -1.012 1.00 0.00 O ATOM 1145 CB ASP A 75 1.574 10.311 1.203 1.00 0.00 C ATOM 1146 CG ASP A 75 2.458 11.373 1.826 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.304 11.018 2.673 1.00 0.00 O ATOM 1148 OD2 ASP A 75 2.304 12.560 1.467 1.00 0.00 O ATOM 0 H ASP A 75 2.684 9.627 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 75 3.085 8.785 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.923 10.774 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.929 9.883 1.971 1.00 0.00 H new ATOM 1153 N TYR A 76 1.282 7.070 0.939 1.00 0.00 N ATOM 1154 CA TYR A 76 0.419 5.937 0.625 1.00 0.00 C ATOM 1155 C TYR A 76 -0.686 5.790 1.665 1.00 0.00 C ATOM 1156 O TYR A 76 -0.461 5.983 2.860 1.00 0.00 O ATOM 1157 CB TYR A 76 1.241 4.649 0.551 1.00 0.00 C ATOM 1158 CG TYR A 76 1.991 4.483 -0.751 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.002 5.365 -1.110 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.688 3.444 -1.623 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.690 5.218 -2.299 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.371 3.288 -2.813 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.371 4.178 -3.147 1.00 0.00 C ATOM 1164 OH TYR A 76 4.053 4.027 -4.333 1.00 0.00 O ATOM 0 H TYR A 76 1.733 7.016 1.852 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.043 6.122 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.954 4.635 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.577 3.796 0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.255 6.180 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.905 2.746 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.473 5.913 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.124 2.474 -3.478 1.00 0.00 H new ATOM 0 HH TYR A 76 5.009 4.181 -4.183 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.884 5.445 1.202 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.026 5.269 2.091 1.00 0.00 C ATOM 1176 C VAL A 77 -3.905 4.110 1.634 1.00 0.00 C ATOM 1177 O VAL A 77 -4.258 4.011 0.459 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.881 6.548 2.167 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.140 6.302 2.983 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.071 7.695 2.752 1.00 0.00 C ATOM 0 H VAL A 77 -2.088 5.282 0.216 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.625 5.049 3.081 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.182 6.824 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.731 7.217 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.728 5.512 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.865 6.001 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.690 8.591 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.739 7.431 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.203 7.886 2.121 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.255 3.235 2.571 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.092 2.081 2.265 1.00 0.00 C ATOM 1192 C PHE A 78 -6.487 2.248 2.861 1.00 0.00 C ATOM 1193 O PHE A 78 -6.636 2.580 4.036 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.448 0.800 2.798 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.395 -0.363 2.869 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.574 -1.195 1.776 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -6.107 -0.624 4.029 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.446 -2.266 1.839 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.980 -1.694 4.098 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.149 -2.516 3.002 1.00 0.00 C ATOM 0 H PHE A 78 -3.972 3.303 3.549 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.185 2.009 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.606 0.534 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.046 0.992 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.026 -1.005 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.978 0.016 4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.578 -2.907 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.529 -1.886 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.830 -3.353 3.053 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.506 2.017 2.040 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.889 2.140 2.485 1.00 0.00 C ATOM 1212 C ALA A 79 -9.703 0.910 2.096 1.00 0.00 C ATOM 1213 O ALA A 79 -9.742 0.505 0.934 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.520 3.398 1.906 1.00 0.00 C ATOM 0 H ALA A 79 -7.400 1.744 1.063 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.889 2.214 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.552 3.477 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.960 4.272 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.500 3.347 0.817 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.368 0.301 3.088 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.193 -0.891 2.873 1.00 0.00 C ATOM 1222 C PRO A 80 -12.459 -0.585 2.081 1.00 0.00 C ATOM 1223 O PRO A 80 -12.986 0.526 2.140 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.546 -1.339 4.294 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.458 -0.099 5.115 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.366 0.730 4.497 1.00 0.00 C ATOM 0 HA PRO A 80 -10.670 -1.649 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.546 -1.771 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.854 -2.101 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.406 0.439 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.229 -0.334 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.568 1.797 4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.403 0.544 4.972 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.943 -1.577 1.341 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.149 -1.413 0.537 1.00 0.00 C ATOM 1236 C ASP A 81 -15.395 -1.727 1.359 1.00 0.00 C ATOM 1237 O ASP A 81 -16.484 -1.900 0.811 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.093 -2.318 -0.694 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.951 -1.801 -1.832 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.839 -0.602 -2.161 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.735 -2.595 -2.394 1.00 0.00 O ATOM 0 H ASP A 81 -12.519 -2.503 1.281 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.202 -0.374 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.060 -2.404 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.423 -3.320 -0.420 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.228 -1.799 2.675 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.339 -2.090 3.572 1.00 0.00 C ATOM 1248 C ALA A 82 -16.460 -1.028 4.659 1.00 0.00 C ATOM 1249 O ALA A 82 -17.553 -0.761 5.161 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.168 -3.468 4.194 1.00 0.00 C ATOM 0 H ALA A 82 -14.333 -1.660 3.144 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.258 -2.079 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.005 -3.672 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.140 -4.221 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.237 -3.499 4.760 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.333 -0.426 5.020 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.312 0.605 6.051 1.00 0.00 C ATOM 1258 C TYR A 83 -14.657 1.881 5.532 1.00 0.00 C ATOM 1259 O TYR A 83 -14.249 1.956 4.374 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.568 0.103 7.289 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.953 -1.300 7.700 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.329 -2.406 7.135 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.942 -1.521 8.651 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.678 -3.690 7.507 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.296 -2.801 9.029 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.662 -3.883 8.454 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.013 -5.160 8.828 1.00 0.00 O ATOM 0 H TYR A 83 -14.421 -0.634 4.614 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.343 0.832 6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.496 0.134 7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.762 0.782 8.119 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.558 -2.259 6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.442 -0.677 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.183 -4.538 7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -17.065 -2.954 9.771 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.720 -5.120 9.505 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.559 2.883 6.400 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.953 4.157 6.031 1.00 0.00 C ATOM 1279 C ASN A 84 -12.624 4.357 6.753 1.00 0.00 C ATOM 1280 O ASN A 84 -12.318 5.454 7.220 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.903 5.311 6.359 1.00 0.00 C ATOM 1282 CG ASN A 84 -16.132 5.319 5.470 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -16.751 4.280 5.239 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -16.490 6.494 4.966 1.00 0.00 N ATOM 0 H ASN A 84 -14.891 2.837 7.363 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.764 4.144 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.213 5.238 7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.373 6.257 6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -17.308 6.561 4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.947 7.329 5.184 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.838 3.289 6.840 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.541 3.346 7.504 1.00 0.00 C ATOM 1293 C VAL A 85 -9.452 3.808 6.542 1.00 0.00 C ATOM 1294 O VAL A 85 -9.579 3.663 5.326 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.148 1.976 8.087 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.956 2.116 9.022 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.330 1.345 8.807 1.00 0.00 C ATOM 0 H VAL A 85 -12.077 2.373 6.459 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.633 4.065 8.318 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.860 1.320 7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.692 1.138 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.108 2.522 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.213 2.788 9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.035 0.377 9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.651 1.997 9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.153 1.208 8.105 1.00 0.00 H new ATOM 1307 N THR A 86 -8.379 4.366 7.095 1.00 0.00 N ATOM 1308 CA THR A 86 -7.267 4.850 6.287 1.00 0.00 C ATOM 1309 C THR A 86 -5.941 4.686 7.022 1.00 0.00 C ATOM 1310 O THR A 86 -5.785 5.150 8.152 1.00 0.00 O ATOM 1311 CB THR A 86 -7.451 6.332 5.908 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.847 7.086 7.059 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.495 6.484 4.812 1.00 0.00 C ATOM 0 H THR A 86 -8.257 4.494 8.100 1.00 0.00 H new ATOM 0 HA THR A 86 -7.252 4.249 5.378 1.00 0.00 H new ATOM 0 HB THR A 86 -6.499 6.711 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.390 6.736 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.608 7.539 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.177 5.932 3.927 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.449 6.090 5.161 1.00 0.00 H new ATOM 1321 N LEU A 87 -4.989 4.025 6.373 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.674 3.801 6.965 1.00 0.00 C ATOM 1323 C LEU A 87 -2.611 4.642 6.266 1.00 0.00 C ATOM 1324 O LEU A 87 -2.166 4.330 5.161 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.303 2.319 6.885 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.123 1.374 7.764 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.597 1.449 7.400 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.611 -0.054 7.633 1.00 0.00 C ATOM 0 H LEU A 87 -5.102 3.635 5.437 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.718 4.102 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.401 1.996 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.252 2.213 7.154 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.011 1.686 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.164 0.769 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.956 2.468 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.729 1.164 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.206 -0.713 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.693 -0.376 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.567 -0.096 7.945 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.192 5.733 6.923 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.174 6.639 6.384 1.00 0.00 C ATOM 1342 C PRO A 88 0.212 6.004 6.356 1.00 0.00 C ATOM 1343 O PRO A 88 0.626 5.354 7.315 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.200 7.821 7.357 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.712 7.249 8.634 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.679 6.165 8.244 1.00 0.00 C ATOM 0 HA PRO A 88 -1.381 6.915 5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.206 8.250 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.847 8.619 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.897 6.847 9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.205 8.014 9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.674 5.345 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.702 6.538 8.193 1.00 0.00 H new ATOM 1354 N ALA A 89 0.924 6.197 5.251 1.00 0.00 N ATOM 1355 CA ALA A 89 2.264 5.644 5.099 1.00 0.00 C ATOM 1356 C ALA A 89 3.182 6.622 4.373 1.00 0.00 C ATOM 1357 O ALA A 89 2.829 7.158 3.322 1.00 0.00 O ATOM 1358 CB ALA A 89 2.207 4.318 4.355 1.00 0.00 C ATOM 0 H ALA A 89 0.595 6.732 4.448 1.00 0.00 H new ATOM 0 HA ALA A 89 2.674 5.472 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.215 3.917 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.593 3.613 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.772 4.473 3.368 1.00 0.00 H new ATOM 1364 N LYS A 90 4.362 6.850 4.939 1.00 0.00 N ATOM 1365 CA LYS A 90 5.332 7.762 4.345 1.00 0.00 C ATOM 1366 C LYS A 90 6.355 7.000 3.508 1.00 0.00 C ATOM 1367 O LYS A 90 6.840 5.944 3.913 1.00 0.00 O ATOM 1368 CB LYS A 90 6.046 8.562 5.438 1.00 0.00 C ATOM 1369 CG LYS A 90 5.277 9.790 5.893 1.00 0.00 C ATOM 1370 CD LYS A 90 4.138 9.420 6.828 1.00 0.00 C ATOM 1371 CE LYS A 90 3.068 10.501 6.857 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.340 11.523 7.905 1.00 0.00 N ATOM 0 H LYS A 90 4.670 6.415 5.809 1.00 0.00 H new ATOM 0 HA LYS A 90 4.794 8.449 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.220 7.913 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.024 8.872 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.955 10.478 6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.880 10.314 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.695 8.477 6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.527 9.265 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.015 10.986 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.095 10.044 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.588 12.242 7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.365 11.065 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.257 11.977 7.717 1.00 0.00 H new ATOM 1386 N VAL A 91 6.679 7.544 2.339 1.00 0.00 N ATOM 1387 CA VAL A 91 7.646 6.917 1.446 1.00 0.00 C ATOM 1388 C VAL A 91 8.720 7.909 1.015 1.00 0.00 C ATOM 1389 O VAL A 91 8.494 9.120 1.003 1.00 0.00 O ATOM 1390 CB VAL A 91 6.961 6.342 0.192 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.613 4.875 0.399 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.719 7.149 -0.154 1.00 0.00 C ATOM 0 H VAL A 91 6.286 8.418 1.989 1.00 0.00 H new ATOM 0 HA VAL A 91 8.110 6.103 2.003 1.00 0.00 H new ATOM 0 HB VAL A 91 7.656 6.412 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.130 4.486 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.524 4.309 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.936 4.778 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.248 6.729 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.018 7.113 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.000 8.184 -0.348 1.00 0.00 H new ATOM 1402 N HIS A 92 9.891 7.389 0.662 1.00 0.00 N ATOM 1403 CA HIS A 92 11.002 8.229 0.228 1.00 0.00 C ATOM 1404 C HIS A 92 11.962 7.445 -0.661 1.00 0.00 C ATOM 1405 O HIS A 92 12.354 6.325 -0.332 1.00 0.00 O ATOM 1406 CB HIS A 92 11.750 8.787 1.439 1.00 0.00 C ATOM 1407 CG HIS A 92 12.388 10.119 1.189 1.00 0.00 C ATOM 1408 ND1 HIS A 92 11.732 11.163 0.571 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.629 10.574 1.477 1.00 0.00 C ATOM 1410 CE1 HIS A 92 12.543 12.202 0.489 1.00 0.00 C ATOM 1411 NE2 HIS A 92 13.700 11.871 1.032 1.00 0.00 N ATOM 0 H HIS A 92 10.095 6.390 0.668 1.00 0.00 H new ATOM 0 HA HIS A 92 10.594 9.057 -0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.056 8.877 2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.519 8.076 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.417 10.020 1.966 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.301 13.160 0.052 1.00 0.00 H new ATOM 0 HE2 HIS A 92 14.515 12.480 1.109 1.00 0.00 H new ATOM 1420 N VAL A 93 12.336 8.040 -1.789 1.00 0.00 N ATOM 1421 CA VAL A 93 13.250 7.398 -2.726 1.00 0.00 C ATOM 1422 C VAL A 93 14.627 8.050 -2.685 1.00 0.00 C ATOM 1423 O VAL A 93 14.744 9.268 -2.547 1.00 0.00 O ATOM 1424 CB VAL A 93 12.709 7.455 -4.167 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.866 8.855 -4.741 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.414 6.429 -5.042 1.00 0.00 C ATOM 0 H VAL A 93 12.020 8.966 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 93 13.336 6.355 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 93 11.646 7.213 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.478 8.876 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.311 9.564 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.921 9.129 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.019 6.483 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.484 6.637 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.245 5.430 -4.640 1.00 0.00 H new ATOM 1436 N ILE A 94 15.667 7.232 -2.807 1.00 0.00 N ATOM 1437 CA ILE A 94 17.037 7.731 -2.785 1.00 0.00 C ATOM 1438 C ILE A 94 17.455 8.248 -4.157 1.00 0.00 C ATOM 1439 O ILE A 94 17.224 7.596 -5.175 1.00 0.00 O ATOM 1440 CB ILE A 94 18.026 6.639 -2.337 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.451 5.851 -1.158 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.365 7.258 -1.965 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.437 6.629 0.139 1.00 0.00 C ATOM 0 H ILE A 94 15.587 6.222 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 94 17.064 8.551 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 94 18.184 5.950 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.433 5.543 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.035 4.941 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.054 6.474 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.778 7.778 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.224 7.966 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.017 6.009 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.455 6.914 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.829 7.526 0.019 1.00 0.00 H new ATOM 1455 N SER A 95 18.074 9.424 -4.177 1.00 0.00 N ATOM 1456 CA SER A 95 18.524 10.031 -5.424 1.00 0.00 C ATOM 1457 C SER A 95 19.974 10.490 -5.313 1.00 0.00 C ATOM 1458 O SER A 95 20.319 11.292 -4.447 1.00 0.00 O ATOM 1459 CB SER A 95 17.629 11.217 -5.791 1.00 0.00 C ATOM 1460 OG SER A 95 17.591 12.171 -4.744 1.00 0.00 O ATOM 0 H SER A 95 18.275 9.976 -3.343 1.00 0.00 H new ATOM 0 HA SER A 95 18.458 9.278 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 95 17.999 11.687 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.620 10.863 -6.002 1.00 0.00 H new ATOM 0 HG SER A 95 18.458 12.191 -4.288 1.00 0.00 H new ATOM 1466 N GLY A 96 20.821 9.973 -6.199 1.00 0.00 N ATOM 1467 CA GLY A 96 22.225 10.340 -6.184 1.00 0.00 C ATOM 1468 C GLY A 96 22.997 9.726 -7.335 1.00 0.00 C ATOM 1469 O GLY A 96 23.516 8.614 -7.239 1.00 0.00 O ATOM 0 H GLY A 96 20.560 9.307 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.314 11.425 -6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.670 10.022 -5.241 1.00 0.00 H new ATOM 1473 N PRO A 97 23.080 10.459 -8.455 1.00 0.00 N ATOM 1474 CA PRO A 97 23.791 9.999 -9.652 1.00 0.00 C ATOM 1475 C PRO A 97 25.302 9.961 -9.449 1.00 0.00 C ATOM 1476 O PRO A 97 26.030 9.373 -10.248 1.00 0.00 O ATOM 1477 CB PRO A 97 23.419 11.042 -10.708 1.00 0.00 C ATOM 1478 CG PRO A 97 23.093 12.270 -9.930 1.00 0.00 C ATOM 1479 CD PRO A 97 22.485 11.793 -8.640 1.00 0.00 C ATOM 0 HA PRO A 97 23.515 8.980 -9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 97 24.244 11.218 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.568 10.714 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.988 12.863 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 97 22.398 12.906 -10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 97 22.726 12.459 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 97 21.398 11.743 -8.702 1.00 0.00 H new ATOM 1487 N SER A 98 25.766 10.591 -8.375 1.00 0.00 N ATOM 1488 CA SER A 98 27.191 10.631 -8.069 1.00 0.00 C ATOM 1489 C SER A 98 27.694 9.256 -7.639 1.00 0.00 C ATOM 1490 O SER A 98 27.143 8.639 -6.727 1.00 0.00 O ATOM 1491 CB SER A 98 27.469 11.656 -6.967 1.00 0.00 C ATOM 1492 OG SER A 98 27.679 12.947 -7.513 1.00 0.00 O ATOM 0 H SER A 98 25.176 11.081 -7.702 1.00 0.00 H new ATOM 0 HA SER A 98 27.723 10.926 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 98 26.630 11.684 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.346 11.352 -6.396 1.00 0.00 H new ATOM 0 HG SER A 98 27.853 13.584 -6.789 1.00 0.00 H new ATOM 1498 N SER A 99 28.744 8.783 -8.302 1.00 0.00 N ATOM 1499 CA SER A 99 29.320 7.479 -7.992 1.00 0.00 C ATOM 1500 C SER A 99 29.996 7.495 -6.625 1.00 0.00 C ATOM 1501 O SER A 99 30.334 8.555 -6.099 1.00 0.00 O ATOM 1502 CB SER A 99 30.329 7.075 -9.068 1.00 0.00 C ATOM 1503 OG SER A 99 29.672 6.603 -10.232 1.00 0.00 O ATOM 0 H SER A 99 29.213 9.283 -9.057 1.00 0.00 H new ATOM 0 HA SER A 99 28.512 6.748 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 99 30.956 7.929 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 99 30.989 6.299 -8.679 1.00 0.00 H new ATOM 0 HG SER A 99 30.339 6.353 -10.905 1.00 0.00 H new ATOM 1509 N GLY A 100 30.191 6.310 -6.054 1.00 0.00 N ATOM 1510 CA GLY A 100 30.826 6.209 -4.753 1.00 0.00 C ATOM 1511 C GLY A 100 32.339 6.195 -4.845 1.00 0.00 C ATOM 1512 O GLY A 100 32.899 5.966 -5.917 1.00 0.00 O ATOM 0 H GLY A 100 29.921 5.418 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 100 30.511 7.048 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 100 30.487 5.300 -4.256 1.00 0.00 H new TER 1516 GLY A 100