USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 79 GLN : amide:sc= -1.97 K(o=-2.7,f=-3.7!) USER MOD Set 1.2: A 81 CYS SG : rot 180:sc= -0.72 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 1.11 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 5 SER OG : rot -52:sc= 0.747 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.3) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.6 USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 SER OG : rot -50:sc= -0.672 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0261 F(o=-0.88,f=-0.026) USER MOD Single : A 48 CYS SG : rot 27:sc= 0.0333 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.444 USER MOD Single : A 63 SER OG : rot -48:sc= 0.364 USER MOD Single : A 64 MET CE :methyl 144:sc= -5.05! (180deg=-7.06!) USER MOD Single : A 65 THR OG1 : rot -62:sc= 0.429 USER MOD Single : A 66 HIS : no HD1:sc= -6.02! C(o=-6!,f=-8.5!) USER MOD Single : A 70 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.31) USER MOD Single : A 74 LYS NZ :NH3+ -123:sc=-0.00347 (180deg=-0.908) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 37:sc= 0.653 USER MOD Single : A 95 GLN : amide:sc= -0.54 K(o=-0.54,f=-5.2!) USER MOD Single : A 97 SER OG : rot 180:sc= -1.05 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0168 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.955 14.689 -1.136 1.00 0.00 N ATOM 2 CA GLY A 1 -26.851 13.262 -1.376 1.00 0.00 C ATOM 3 C GLY A 1 -25.491 12.708 -1.001 1.00 0.00 C ATOM 4 O GLY A 1 -24.811 12.100 -1.827 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.903 15.019 -1.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.797 14.884 -0.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.239 15.189 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.621 12.744 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.045 13.059 -2.429 1.00 0.00 H new ATOM 8 N SER A 2 -25.091 12.921 0.249 1.00 0.00 N ATOM 9 CA SER A 2 -23.800 12.443 0.730 1.00 0.00 C ATOM 10 C SER A 2 -23.811 10.927 0.903 1.00 0.00 C ATOM 11 O SER A 2 -24.430 10.402 1.829 1.00 0.00 O ATOM 12 CB SER A 2 -23.446 13.117 2.057 1.00 0.00 C ATOM 13 OG SER A 2 -24.348 12.733 3.081 1.00 0.00 O ATOM 0 H SER A 2 -25.642 13.421 0.946 1.00 0.00 H new ATOM 0 HA SER A 2 -23.045 12.700 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.429 12.849 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.468 14.200 1.936 1.00 0.00 H new ATOM 0 HG SER A 2 -24.623 11.803 2.943 1.00 0.00 H new ATOM 19 N SER A 3 -23.123 10.230 0.005 1.00 0.00 N ATOM 20 CA SER A 3 -23.056 8.774 0.055 1.00 0.00 C ATOM 21 C SER A 3 -21.607 8.297 0.059 1.00 0.00 C ATOM 22 O SER A 3 -20.707 9.004 -0.392 1.00 0.00 O ATOM 23 CB SER A 3 -23.802 8.168 -1.135 1.00 0.00 C ATOM 24 OG SER A 3 -23.718 6.753 -1.122 1.00 0.00 O ATOM 0 H SER A 3 -22.604 10.650 -0.766 1.00 0.00 H new ATOM 0 HA SER A 3 -23.531 8.444 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.848 8.474 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.383 8.552 -2.065 1.00 0.00 H new ATOM 0 HG SER A 3 -24.204 6.389 -1.891 1.00 0.00 H new ATOM 30 N GLY A 4 -21.390 7.089 0.573 1.00 0.00 N ATOM 31 CA GLY A 4 -20.049 6.537 0.627 1.00 0.00 C ATOM 32 C GLY A 4 -19.469 6.287 -0.751 1.00 0.00 C ATOM 33 O GLY A 4 -18.682 7.088 -1.255 1.00 0.00 O ATOM 0 H GLY A 4 -22.118 6.484 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.399 7.221 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.067 5.601 1.186 1.00 0.00 H new ATOM 37 N SER A 5 -19.856 5.171 -1.361 1.00 0.00 N ATOM 38 CA SER A 5 -19.365 4.815 -2.687 1.00 0.00 C ATOM 39 C SER A 5 -17.862 4.553 -2.657 1.00 0.00 C ATOM 40 O SER A 5 -17.141 4.907 -3.590 1.00 0.00 O ATOM 41 CB SER A 5 -19.680 5.929 -3.687 1.00 0.00 C ATOM 42 OG SER A 5 -19.298 5.558 -5.001 1.00 0.00 O ATOM 0 H SER A 5 -20.508 4.498 -0.958 1.00 0.00 H new ATOM 0 HA SER A 5 -19.870 3.901 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.747 6.152 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.158 6.841 -3.397 1.00 0.00 H new ATOM 0 HG SER A 5 -18.363 5.265 -4.999 1.00 0.00 H new ATOM 48 N SER A 6 -17.397 3.932 -1.578 1.00 0.00 N ATOM 49 CA SER A 6 -15.980 3.625 -1.423 1.00 0.00 C ATOM 50 C SER A 6 -15.524 2.619 -2.476 1.00 0.00 C ATOM 51 O SER A 6 -16.184 1.608 -2.712 1.00 0.00 O ATOM 52 CB SER A 6 -15.706 3.075 -0.022 1.00 0.00 C ATOM 53 OG SER A 6 -16.373 1.842 0.181 1.00 0.00 O ATOM 0 H SER A 6 -17.981 3.631 -0.798 1.00 0.00 H new ATOM 0 HA SER A 6 -15.416 4.548 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.633 2.939 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.034 3.797 0.726 1.00 0.00 H new ATOM 0 HG SER A 6 -16.181 1.511 1.083 1.00 0.00 H new ATOM 59 N GLY A 7 -14.388 2.905 -3.106 1.00 0.00 N ATOM 60 CA GLY A 7 -13.862 2.017 -4.126 1.00 0.00 C ATOM 61 C GLY A 7 -12.914 0.980 -3.558 1.00 0.00 C ATOM 62 O GLY A 7 -11.724 1.244 -3.389 1.00 0.00 O ATOM 0 H GLY A 7 -13.823 3.735 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.689 1.513 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.342 2.605 -4.882 1.00 0.00 H new ATOM 66 N ASN A 8 -13.442 -0.203 -3.262 1.00 0.00 N ATOM 67 CA ASN A 8 -12.634 -1.284 -2.707 1.00 0.00 C ATOM 68 C ASN A 8 -11.763 -1.920 -3.786 1.00 0.00 C ATOM 69 O ASN A 8 -12.198 -2.104 -4.923 1.00 0.00 O ATOM 70 CB ASN A 8 -13.533 -2.345 -2.070 1.00 0.00 C ATOM 71 CG ASN A 8 -14.767 -2.634 -2.903 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.881 -2.264 -2.531 1.00 0.00 O ATOM 73 ND2 ASN A 8 -14.573 -3.298 -4.036 1.00 0.00 N ATOM 0 H ASN A 8 -14.425 -0.438 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.983 -0.862 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.965 -3.266 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.838 -2.011 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.365 -3.521 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.632 -3.585 -4.304 1.00 0.00 H new ATOM 80 N VAL A 9 -10.530 -2.256 -3.421 1.00 0.00 N ATOM 81 CA VAL A 9 -9.597 -2.874 -4.356 1.00 0.00 C ATOM 82 C VAL A 9 -8.739 -3.926 -3.663 1.00 0.00 C ATOM 83 O VAL A 9 -7.817 -3.597 -2.916 1.00 0.00 O ATOM 84 CB VAL A 9 -8.677 -1.824 -5.007 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.656 -2.497 -5.912 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.497 -0.803 -5.781 1.00 0.00 C ATOM 0 H VAL A 9 -10.154 -2.111 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.196 -3.352 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.138 -1.299 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.015 -1.740 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.047 -3.185 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.173 -3.049 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.831 -0.069 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.064 -1.309 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.184 -0.298 -5.102 1.00 0.00 H new ATOM 96 N VAL A 10 -9.048 -5.194 -3.915 1.00 0.00 N ATOM 97 CA VAL A 10 -8.305 -6.296 -3.316 1.00 0.00 C ATOM 98 C VAL A 10 -7.398 -6.968 -4.340 1.00 0.00 C ATOM 99 O VAL A 10 -7.852 -7.778 -5.150 1.00 0.00 O ATOM 100 CB VAL A 10 -9.252 -7.350 -2.714 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.517 -8.210 -1.696 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.463 -6.680 -2.082 1.00 0.00 C ATOM 0 H VAL A 10 -9.808 -5.483 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.695 -5.870 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.602 -7.999 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.203 -8.949 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.685 -8.719 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.136 -7.578 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.121 -7.440 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.134 -6.007 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.002 -6.112 -2.841 1.00 0.00 H new ATOM 112 N LEU A 11 -6.115 -6.628 -4.300 1.00 0.00 N ATOM 113 CA LEU A 11 -5.143 -7.200 -5.225 1.00 0.00 C ATOM 114 C LEU A 11 -4.584 -8.513 -4.686 1.00 0.00 C ATOM 115 O LEU A 11 -4.243 -8.634 -3.510 1.00 0.00 O ATOM 116 CB LEU A 11 -4.002 -6.211 -5.473 1.00 0.00 C ATOM 117 CG LEU A 11 -4.396 -4.735 -5.537 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.168 -3.848 -5.396 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.126 -4.434 -6.838 1.00 0.00 C ATOM 0 H LEU A 11 -5.723 -5.959 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.652 -7.403 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.262 -6.335 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.514 -6.477 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.070 -4.522 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.468 -2.801 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.686 -4.044 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.469 -4.063 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.399 -3.379 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.475 -4.663 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.027 -5.044 -6.899 1.00 0.00 H new ATOM 131 N PRO A 12 -4.487 -9.520 -5.566 1.00 0.00 N ATOM 132 CA PRO A 12 -3.968 -10.842 -5.202 1.00 0.00 C ATOM 133 C PRO A 12 -2.471 -10.818 -4.916 1.00 0.00 C ATOM 134 O PRO A 12 -1.672 -10.427 -5.766 1.00 0.00 O ATOM 135 CB PRO A 12 -4.262 -11.692 -6.441 1.00 0.00 C ATOM 136 CG PRO A 12 -4.317 -10.716 -7.565 1.00 0.00 C ATOM 137 CD PRO A 12 -4.876 -9.447 -6.985 1.00 0.00 C ATOM 0 HA PRO A 12 -4.426 -11.222 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.484 -12.439 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.204 -12.230 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.325 -10.549 -7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.948 -11.087 -8.373 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.459 -8.565 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.958 -9.394 -7.103 1.00 0.00 H new ATOM 145 N GLY A 13 -2.096 -11.240 -3.712 1.00 0.00 N ATOM 146 CA GLY A 13 -0.695 -11.259 -3.335 1.00 0.00 C ATOM 147 C GLY A 13 -0.158 -12.666 -3.170 1.00 0.00 C ATOM 148 O GLY A 13 -0.702 -13.629 -3.710 1.00 0.00 O ATOM 0 H GLY A 13 -2.738 -11.569 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.111 -10.737 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.566 -10.712 -2.401 1.00 0.00 H new ATOM 152 N PRO A 14 0.938 -12.800 -2.407 1.00 0.00 N ATOM 153 CA PRO A 14 1.595 -11.662 -1.759 1.00 0.00 C ATOM 154 C PRO A 14 2.286 -10.743 -2.762 1.00 0.00 C ATOM 155 O PRO A 14 2.161 -10.925 -3.972 1.00 0.00 O ATOM 156 CB PRO A 14 2.626 -12.323 -0.841 1.00 0.00 C ATOM 157 CG PRO A 14 2.907 -13.641 -1.475 1.00 0.00 C ATOM 158 CD PRO A 14 1.619 -14.074 -2.120 1.00 0.00 C ATOM 0 HA PRO A 14 0.883 -11.025 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.531 -11.720 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.236 -12.445 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.704 -13.557 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.236 -14.369 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.798 -14.648 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.029 -14.705 -1.455 1.00 0.00 H new ATOM 166 N ALA A 15 3.014 -9.757 -2.250 1.00 0.00 N ATOM 167 CA ALA A 15 3.726 -8.812 -3.101 1.00 0.00 C ATOM 168 C ALA A 15 4.725 -9.529 -4.002 1.00 0.00 C ATOM 169 O ALA A 15 5.026 -10.709 -3.820 1.00 0.00 O ATOM 170 CB ALA A 15 4.434 -7.767 -2.251 1.00 0.00 C ATOM 0 H ALA A 15 3.126 -9.592 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 15 2.996 -8.313 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.962 -7.068 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.700 -7.225 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.148 -8.258 -1.590 1.00 0.00 H new ATOM 176 N PRO A 16 5.252 -8.803 -4.999 1.00 0.00 N ATOM 177 CA PRO A 16 4.901 -7.398 -5.225 1.00 0.00 C ATOM 178 C PRO A 16 3.472 -7.231 -5.729 1.00 0.00 C ATOM 179 O PRO A 16 2.748 -8.211 -5.906 1.00 0.00 O ATOM 180 CB PRO A 16 5.901 -6.951 -6.295 1.00 0.00 C ATOM 181 CG PRO A 16 6.274 -8.202 -7.011 1.00 0.00 C ATOM 182 CD PRO A 16 6.231 -9.297 -5.981 1.00 0.00 C ATOM 0 HA PRO A 16 4.948 -6.813 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.456 -6.224 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.774 -6.476 -5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.581 -8.406 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.268 -8.119 -7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.919 -10.246 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.208 -9.460 -5.527 1.00 0.00 H new ATOM 190 N TRP A 17 3.072 -5.985 -5.957 1.00 0.00 N ATOM 191 CA TRP A 17 1.727 -5.691 -6.441 1.00 0.00 C ATOM 192 C TRP A 17 1.766 -5.175 -7.875 1.00 0.00 C ATOM 193 O TRP A 17 1.160 -5.760 -8.772 1.00 0.00 O ATOM 194 CB TRP A 17 1.050 -4.662 -5.534 1.00 0.00 C ATOM 195 CG TRP A 17 1.027 -5.067 -4.091 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.631 -4.422 -3.049 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.369 -6.209 -3.531 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.387 -5.094 -1.875 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.615 -6.193 -2.144 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.405 -7.242 -4.066 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.115 -7.171 -1.289 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.901 -8.211 -3.216 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.640 -8.170 -1.839 1.00 0.00 C ATOM 0 H TRP A 17 3.659 -5.163 -5.815 1.00 0.00 H new ATOM 0 HA TRP A 17 1.151 -6.616 -6.423 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.569 -3.708 -5.628 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.027 -4.504 -5.876 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.214 -3.517 -3.135 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.726 -4.819 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.612 -7.282 -5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.316 -7.142 -0.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.500 -9.014 -3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.043 -8.942 -1.200 1.00 0.00 H new ATOM 214 N GLY A 18 2.482 -4.075 -8.085 1.00 0.00 N ATOM 215 CA GLY A 18 2.586 -3.499 -9.413 1.00 0.00 C ATOM 216 C GLY A 18 2.077 -2.072 -9.468 1.00 0.00 C ATOM 217 O GLY A 18 1.552 -1.632 -10.490 1.00 0.00 O ATOM 0 H GLY A 18 2.992 -3.572 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.627 -3.523 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.020 -4.110 -10.116 1.00 0.00 H new ATOM 221 N PHE A 19 2.230 -1.348 -8.364 1.00 0.00 N ATOM 222 CA PHE A 19 1.779 0.037 -8.290 1.00 0.00 C ATOM 223 C PHE A 19 2.709 0.865 -7.408 1.00 0.00 C ATOM 224 O PHE A 19 3.217 0.381 -6.396 1.00 0.00 O ATOM 225 CB PHE A 19 0.351 0.101 -7.746 1.00 0.00 C ATOM 226 CG PHE A 19 0.280 0.104 -6.245 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.321 1.295 -5.539 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.172 -1.085 -5.542 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.256 1.301 -4.158 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.106 -1.085 -4.161 1.00 0.00 C ATOM 231 CZ PHE A 19 0.150 0.109 -3.468 1.00 0.00 C ATOM 0 H PHE A 19 2.663 -1.697 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 19 1.796 0.454 -9.297 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.134 1.000 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.213 -0.751 -8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.405 2.230 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.139 -2.022 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.288 2.237 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.020 -2.018 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.102 0.111 -2.389 1.00 0.00 H new ATOM 241 N ARG A 20 2.928 2.116 -7.800 1.00 0.00 N ATOM 242 CA ARG A 20 3.798 3.011 -7.047 1.00 0.00 C ATOM 243 C ARG A 20 2.979 3.951 -6.166 1.00 0.00 C ATOM 244 O ARG A 20 1.749 3.957 -6.222 1.00 0.00 O ATOM 245 CB ARG A 20 4.677 3.823 -8.000 1.00 0.00 C ATOM 246 CG ARG A 20 5.333 2.986 -9.086 1.00 0.00 C ATOM 247 CD ARG A 20 5.935 1.711 -8.518 1.00 0.00 C ATOM 248 NE ARG A 20 6.284 0.757 -9.567 1.00 0.00 N ATOM 249 CZ ARG A 20 7.390 0.840 -10.299 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.249 1.829 -10.096 1.00 0.00 N ATOM 251 NH2 ARG A 20 7.638 -0.067 -11.235 1.00 0.00 N ATOM 0 H ARG A 20 2.515 2.532 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 20 4.436 2.403 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.071 4.599 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.452 4.328 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.596 2.734 -9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.111 3.570 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.826 1.957 -7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.226 1.250 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 20 5.643 -0.016 -9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.062 2.528 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.097 1.891 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.979 -0.829 -11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.487 -0.002 -11.796 1.00 0.00 H new ATOM 265 N LEU A 21 3.670 4.744 -5.355 1.00 0.00 N ATOM 266 CA LEU A 21 3.008 5.689 -4.462 1.00 0.00 C ATOM 267 C LEU A 21 3.585 7.091 -4.628 1.00 0.00 C ATOM 268 O LEU A 21 4.763 7.255 -4.945 1.00 0.00 O ATOM 269 CB LEU A 21 3.153 5.234 -3.009 1.00 0.00 C ATOM 270 CG LEU A 21 4.495 4.605 -2.632 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.642 5.528 -3.014 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.536 4.287 -1.145 1.00 0.00 C ATOM 0 H LEU A 21 4.688 4.752 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 21 1.950 5.719 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.983 6.094 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.364 4.513 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 21 4.606 3.672 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.589 5.064 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.624 5.705 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.536 6.477 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.498 3.840 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.403 5.205 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.737 3.588 -0.900 1.00 0.00 H new ATOM 284 N SER A 22 2.747 8.100 -4.409 1.00 0.00 N ATOM 285 CA SER A 22 3.173 9.488 -4.536 1.00 0.00 C ATOM 286 C SER A 22 2.526 10.356 -3.460 1.00 0.00 C ATOM 287 O SER A 22 1.510 9.984 -2.875 1.00 0.00 O ATOM 288 CB SER A 22 2.819 10.028 -5.923 1.00 0.00 C ATOM 289 OG SER A 22 3.738 11.026 -6.332 1.00 0.00 O ATOM 0 H SER A 22 1.769 7.981 -4.143 1.00 0.00 H new ATOM 0 HA SER A 22 4.255 9.523 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.819 9.212 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.811 10.442 -5.909 1.00 0.00 H new ATOM 0 HG SER A 22 3.491 11.353 -7.222 1.00 0.00 H new ATOM 295 N GLY A 23 3.124 11.515 -3.205 1.00 0.00 N ATOM 296 CA GLY A 23 2.594 12.418 -2.200 1.00 0.00 C ATOM 297 C GLY A 23 2.780 11.891 -0.791 1.00 0.00 C ATOM 298 O GLY A 23 3.704 11.124 -0.524 1.00 0.00 O ATOM 0 H GLY A 23 3.966 11.845 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.086 13.386 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.533 12.581 -2.386 1.00 0.00 H new ATOM 302 N GLY A 24 1.899 12.305 0.115 1.00 0.00 N ATOM 303 CA GLY A 24 1.989 11.861 1.494 1.00 0.00 C ATOM 304 C GLY A 24 1.537 12.923 2.476 1.00 0.00 C ATOM 305 O GLY A 24 1.663 14.119 2.209 1.00 0.00 O ATOM 0 H GLY A 24 1.125 12.940 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.380 10.967 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.019 11.580 1.716 1.00 0.00 H new ATOM 309 N ILE A 25 1.008 12.488 3.615 1.00 0.00 N ATOM 310 CA ILE A 25 0.535 13.411 4.639 1.00 0.00 C ATOM 311 C ILE A 25 1.684 14.238 5.206 1.00 0.00 C ATOM 312 O ILE A 25 1.465 15.219 5.917 1.00 0.00 O ATOM 313 CB ILE A 25 -0.162 12.664 5.791 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.795 11.654 6.427 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.417 11.967 5.287 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.473 11.343 7.872 1.00 0.00 C ATOM 0 H ILE A 25 0.896 11.502 3.852 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.185 14.074 4.159 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.452 13.389 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.770 10.729 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.812 12.041 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.899 11.443 6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.104 12.707 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.148 11.251 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.192 10.620 8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.526 12.258 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.532 10.926 7.939 1.00 0.00 H new ATOM 328 N ASP A 26 2.909 13.836 4.886 1.00 0.00 N ATOM 329 CA ASP A 26 4.094 14.542 5.361 1.00 0.00 C ATOM 330 C ASP A 26 4.527 15.610 4.362 1.00 0.00 C ATOM 331 O ASP A 26 5.192 16.580 4.724 1.00 0.00 O ATOM 332 CB ASP A 26 5.239 13.556 5.601 1.00 0.00 C ATOM 333 CG ASP A 26 6.601 14.204 5.453 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.963 15.027 6.320 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.305 13.889 4.471 1.00 0.00 O ATOM 0 H ASP A 26 3.108 13.025 4.300 1.00 0.00 H new ATOM 0 HA ASP A 26 3.843 15.031 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.147 13.134 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.155 12.728 4.897 1.00 0.00 H new ATOM 340 N PHE A 27 4.147 15.424 3.102 1.00 0.00 N ATOM 341 CA PHE A 27 4.498 16.370 2.050 1.00 0.00 C ATOM 342 C PHE A 27 3.328 17.301 1.743 1.00 0.00 C ATOM 343 O PHE A 27 3.323 17.995 0.727 1.00 0.00 O ATOM 344 CB PHE A 27 4.916 15.624 0.782 1.00 0.00 C ATOM 345 CG PHE A 27 6.146 14.779 0.961 1.00 0.00 C ATOM 346 CD1 PHE A 27 7.408 15.330 0.812 1.00 0.00 C ATOM 347 CD2 PHE A 27 6.039 13.435 1.280 1.00 0.00 C ATOM 348 CE1 PHE A 27 8.541 14.556 0.976 1.00 0.00 C ATOM 349 CE2 PHE A 27 7.168 12.656 1.445 1.00 0.00 C ATOM 350 CZ PHE A 27 8.421 13.217 1.294 1.00 0.00 C ATOM 0 H PHE A 27 3.596 14.626 2.785 1.00 0.00 H new ATOM 0 HA PHE A 27 5.336 16.971 2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.093 14.988 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.095 16.348 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.508 16.377 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.062 12.991 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.519 14.997 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.071 11.609 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.305 12.610 1.424 1.00 0.00 H new ATOM 360 N ASN A 28 2.338 17.309 2.629 1.00 0.00 N ATOM 361 CA ASN A 28 1.161 18.152 2.453 1.00 0.00 C ATOM 362 C ASN A 28 0.441 17.817 1.150 1.00 0.00 C ATOM 363 O ASN A 28 -0.144 18.691 0.511 1.00 0.00 O ATOM 364 CB ASN A 28 1.561 19.629 2.463 1.00 0.00 C ATOM 365 CG ASN A 28 2.222 20.041 3.765 1.00 0.00 C ATOM 366 OD1 ASN A 28 1.655 19.866 4.844 1.00 0.00 O ATOM 367 ND2 ASN A 28 3.426 20.591 3.668 1.00 0.00 N ATOM 0 H ASN A 28 2.327 16.741 3.476 1.00 0.00 H new ATOM 0 HA ASN A 28 0.480 17.961 3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.243 19.823 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.676 20.243 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.920 20.888 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.857 20.716 2.752 1.00 0.00 H new ATOM 374 N GLN A 29 0.489 16.547 0.764 1.00 0.00 N ATOM 375 CA GLN A 29 -0.158 16.097 -0.463 1.00 0.00 C ATOM 376 C GLN A 29 -0.794 14.724 -0.271 1.00 0.00 C ATOM 377 O GLN A 29 -0.336 13.907 0.528 1.00 0.00 O ATOM 378 CB GLN A 29 0.853 16.047 -1.609 1.00 0.00 C ATOM 379 CG GLN A 29 1.140 17.407 -2.226 1.00 0.00 C ATOM 380 CD GLN A 29 0.021 17.887 -3.128 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.725 18.802 -2.778 1.00 0.00 O ATOM 382 NE2 GLN A 29 -0.104 17.270 -4.298 1.00 0.00 N ATOM 0 H GLN A 29 0.969 15.811 1.282 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.944 16.810 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.786 15.620 -1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.479 15.377 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.299 18.136 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.066 17.354 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.536 16.516 -4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.840 17.550 -4.946 1.00 0.00 H new ATOM 391 N PRO A 30 -1.877 14.463 -1.018 1.00 0.00 N ATOM 392 CA PRO A 30 -2.599 13.190 -0.948 1.00 0.00 C ATOM 393 C PRO A 30 -1.795 12.034 -1.533 1.00 0.00 C ATOM 394 O PRO A 30 -0.966 12.229 -2.423 1.00 0.00 O ATOM 395 CB PRO A 30 -3.854 13.447 -1.786 1.00 0.00 C ATOM 396 CG PRO A 30 -3.462 14.529 -2.732 1.00 0.00 C ATOM 397 CD PRO A 30 -2.478 15.391 -1.991 1.00 0.00 C ATOM 0 HA PRO A 30 -2.809 12.897 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.165 12.549 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.692 13.753 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.015 14.114 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.331 15.108 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.728 15.812 -2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.970 16.229 -1.497 1.00 0.00 H new ATOM 405 N LEU A 31 -2.045 10.830 -1.030 1.00 0.00 N ATOM 406 CA LEU A 31 -1.344 9.642 -1.503 1.00 0.00 C ATOM 407 C LEU A 31 -1.925 9.160 -2.829 1.00 0.00 C ATOM 408 O LEU A 31 -3.021 8.601 -2.872 1.00 0.00 O ATOM 409 CB LEU A 31 -1.429 8.526 -0.461 1.00 0.00 C ATOM 410 CG LEU A 31 -0.490 8.656 0.740 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.811 7.600 1.785 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.961 8.547 0.296 1.00 0.00 C ATOM 0 H LEU A 31 -2.728 10.651 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.298 9.906 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.454 8.478 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.224 7.577 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.639 9.638 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.133 7.708 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.839 7.725 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.691 6.608 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.615 8.642 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.125 7.579 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.184 9.342 -0.416 1.00 0.00 H new ATOM 424 N VAL A 32 -1.181 9.377 -3.909 1.00 0.00 N ATOM 425 CA VAL A 32 -1.620 8.962 -5.236 1.00 0.00 C ATOM 426 C VAL A 32 -0.543 8.145 -5.941 1.00 0.00 C ATOM 427 O VAL A 32 0.644 8.463 -5.860 1.00 0.00 O ATOM 428 CB VAL A 32 -1.984 10.176 -6.112 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.446 10.549 -5.926 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.078 11.355 -5.790 1.00 0.00 C ATOM 0 H VAL A 32 -0.271 9.838 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.507 8.344 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.834 9.907 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.685 11.408 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.076 9.706 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.627 10.800 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.349 12.204 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.194 11.628 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.041 11.079 -5.980 1.00 0.00 H new ATOM 440 N ILE A 33 -0.965 7.091 -6.631 1.00 0.00 N ATOM 441 CA ILE A 33 -0.036 6.229 -7.352 1.00 0.00 C ATOM 442 C ILE A 33 0.754 7.019 -8.390 1.00 0.00 C ATOM 443 O ILE A 33 0.225 7.927 -9.031 1.00 0.00 O ATOM 444 CB ILE A 33 -0.771 5.072 -8.054 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.557 4.245 -7.034 1.00 0.00 C ATOM 446 CG2 ILE A 33 0.219 4.195 -8.805 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.446 3.196 -7.664 1.00 0.00 C ATOM 0 H ILE A 33 -1.944 6.813 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 33 0.651 5.817 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.475 5.491 -8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.856 3.757 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.170 4.914 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.315 3.382 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.739 4.792 -9.554 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.944 3.782 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.973 2.648 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.171 3.679 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.836 2.504 -8.245 1.00 0.00 H new ATOM 459 N THR A 34 2.026 6.665 -8.552 1.00 0.00 N ATOM 460 CA THR A 34 2.890 7.339 -9.513 1.00 0.00 C ATOM 461 C THR A 34 2.841 6.653 -10.873 1.00 0.00 C ATOM 462 O THR A 34 2.736 7.311 -11.908 1.00 0.00 O ATOM 463 CB THR A 34 4.350 7.380 -9.024 1.00 0.00 C ATOM 464 OG1 THR A 34 5.067 6.248 -9.527 1.00 0.00 O ATOM 465 CG2 THR A 34 4.411 7.391 -7.504 1.00 0.00 C ATOM 0 H THR A 34 2.480 5.915 -8.030 1.00 0.00 H new ATOM 0 HA THR A 34 2.518 8.359 -9.610 1.00 0.00 H new ATOM 0 HB THR A 34 4.810 8.295 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.995 6.282 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.452 7.420 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.889 8.270 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.936 6.491 -7.114 1.00 0.00 H new ATOM 473 N ARG A 35 2.916 5.326 -10.864 1.00 0.00 N ATOM 474 CA ARG A 35 2.880 4.550 -12.098 1.00 0.00 C ATOM 475 C ARG A 35 2.261 3.176 -11.859 1.00 0.00 C ATOM 476 O ARG A 35 2.124 2.737 -10.717 1.00 0.00 O ATOM 477 CB ARG A 35 4.292 4.393 -12.667 1.00 0.00 C ATOM 478 CG ARG A 35 4.880 5.687 -13.204 1.00 0.00 C ATOM 479 CD ARG A 35 4.274 6.058 -14.549 1.00 0.00 C ATOM 480 NE ARG A 35 4.648 7.408 -14.964 1.00 0.00 N ATOM 481 CZ ARG A 35 5.792 7.700 -15.571 1.00 0.00 C ATOM 482 NH1 ARG A 35 6.671 6.742 -15.833 1.00 0.00 N ATOM 483 NH2 ARG A 35 6.060 8.952 -15.918 1.00 0.00 N ATOM 0 H ARG A 35 3.002 4.766 -10.016 1.00 0.00 H new ATOM 0 HA ARG A 35 2.262 5.087 -12.818 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.947 4.002 -11.888 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.272 3.653 -13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.704 6.492 -12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.960 5.582 -13.307 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.601 5.343 -15.304 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.188 5.985 -14.490 1.00 0.00 H new ATOM 0 HE ARG A 35 3.994 8.168 -14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.469 5.778 -15.568 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.549 6.969 -16.300 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.387 9.692 -15.718 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.939 9.175 -16.384 1.00 0.00 H new ATOM 497 N ILE A 36 1.888 2.505 -12.943 1.00 0.00 N ATOM 498 CA ILE A 36 1.284 1.181 -12.851 1.00 0.00 C ATOM 499 C ILE A 36 1.907 0.221 -13.857 1.00 0.00 C ATOM 500 O ILE A 36 2.298 0.621 -14.955 1.00 0.00 O ATOM 501 CB ILE A 36 -0.237 1.239 -13.087 1.00 0.00 C ATOM 502 CG1 ILE A 36 -0.931 1.941 -11.918 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.797 -0.162 -13.279 1.00 0.00 C ATOM 504 CD1 ILE A 36 -0.759 1.225 -10.596 1.00 0.00 C ATOM 0 H ILE A 36 1.993 2.856 -13.895 1.00 0.00 H new ATOM 0 HA ILE A 36 1.473 0.817 -11.841 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.427 1.812 -13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.538 2.954 -11.828 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.995 2.030 -12.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.873 -0.104 -13.445 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.322 -0.629 -14.142 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.599 -0.758 -12.388 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.277 1.778 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.178 0.221 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.302 1.159 -10.353 1.00 0.00 H new ATOM 516 N THR A 37 1.997 -1.050 -13.478 1.00 0.00 N ATOM 517 CA THR A 37 2.572 -2.069 -14.347 1.00 0.00 C ATOM 518 C THR A 37 1.554 -2.556 -15.372 1.00 0.00 C ATOM 519 O THR A 37 0.540 -3.166 -15.033 1.00 0.00 O ATOM 520 CB THR A 37 3.085 -3.274 -13.537 1.00 0.00 C ATOM 521 OG1 THR A 37 3.734 -2.822 -12.343 1.00 0.00 O ATOM 522 CG2 THR A 37 4.053 -4.108 -14.362 1.00 0.00 C ATOM 0 H THR A 37 1.679 -1.398 -12.574 1.00 0.00 H new ATOM 0 HA THR A 37 3.411 -1.605 -14.865 1.00 0.00 H new ATOM 0 HB THR A 37 2.230 -3.896 -13.272 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.193 -3.575 -11.915 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.402 -4.953 -13.769 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.547 -4.475 -15.255 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.905 -3.494 -14.654 1.00 0.00 H new ATOM 530 N PRO A 38 1.828 -2.282 -16.656 1.00 0.00 N ATOM 531 CA PRO A 38 0.948 -2.685 -17.757 1.00 0.00 C ATOM 532 C PRO A 38 0.948 -4.194 -17.976 1.00 0.00 C ATOM 533 O PRO A 38 1.752 -4.720 -18.745 1.00 0.00 O ATOM 534 CB PRO A 38 1.546 -1.969 -18.970 1.00 0.00 C ATOM 535 CG PRO A 38 2.980 -1.766 -18.621 1.00 0.00 C ATOM 536 CD PRO A 38 3.019 -1.559 -17.132 1.00 0.00 C ATOM 0 HA PRO A 38 -0.093 -2.426 -17.562 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.440 -2.567 -19.875 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.045 -1.019 -19.155 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.578 -2.630 -18.911 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.391 -0.904 -19.146 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.934 -1.959 -16.694 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.978 -0.501 -16.872 1.00 0.00 H new ATOM 544 N GLY A 39 0.040 -4.887 -17.295 1.00 0.00 N ATOM 545 CA GLY A 39 -0.047 -6.329 -17.430 1.00 0.00 C ATOM 546 C GLY A 39 0.439 -7.058 -16.193 1.00 0.00 C ATOM 547 O GLY A 39 1.294 -7.939 -16.279 1.00 0.00 O ATOM 0 H GLY A 39 -0.637 -4.475 -16.652 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.081 -6.610 -17.631 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.543 -6.646 -18.290 1.00 0.00 H new ATOM 551 N SER A 40 -0.107 -6.689 -15.038 1.00 0.00 N ATOM 552 CA SER A 40 0.280 -7.311 -13.777 1.00 0.00 C ATOM 553 C SER A 40 -0.875 -7.281 -12.780 1.00 0.00 C ATOM 554 O SER A 40 -1.985 -6.862 -13.110 1.00 0.00 O ATOM 555 CB SER A 40 1.498 -6.598 -13.186 1.00 0.00 C ATOM 556 OG SER A 40 1.103 -5.561 -12.304 1.00 0.00 O ATOM 0 H SER A 40 -0.818 -5.963 -14.950 1.00 0.00 H new ATOM 0 HA SER A 40 0.538 -8.351 -13.976 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.120 -7.316 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.107 -6.184 -13.990 1.00 0.00 H new ATOM 0 HG SER A 40 0.437 -4.993 -12.745 1.00 0.00 H new ATOM 562 N LYS A 41 -0.605 -7.728 -11.559 1.00 0.00 N ATOM 563 CA LYS A 41 -1.619 -7.752 -10.511 1.00 0.00 C ATOM 564 C LYS A 41 -2.195 -6.359 -10.278 1.00 0.00 C ATOM 565 O LYS A 41 -3.331 -6.214 -9.829 1.00 0.00 O ATOM 566 CB LYS A 41 -1.024 -8.293 -9.209 1.00 0.00 C ATOM 567 CG LYS A 41 -0.308 -9.623 -9.374 1.00 0.00 C ATOM 568 CD LYS A 41 -1.253 -10.794 -9.170 1.00 0.00 C ATOM 569 CE LYS A 41 -0.713 -12.064 -9.810 1.00 0.00 C ATOM 570 NZ LYS A 41 0.531 -12.536 -9.142 1.00 0.00 N ATOM 0 H LYS A 41 0.308 -8.079 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.425 -8.410 -10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.324 -7.560 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.822 -8.408 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.132 -9.679 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.512 -9.687 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.405 -10.959 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.227 -10.556 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.471 -12.846 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.512 -11.881 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.867 -13.403 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.263 -11.800 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.333 -12.735 -8.141 1.00 0.00 H new ATOM 584 N ALA A 42 -1.403 -5.337 -10.589 1.00 0.00 N ATOM 585 CA ALA A 42 -1.836 -3.956 -10.416 1.00 0.00 C ATOM 586 C ALA A 42 -2.772 -3.529 -11.543 1.00 0.00 C ATOM 587 O ALA A 42 -3.978 -3.390 -11.341 1.00 0.00 O ATOM 588 CB ALA A 42 -0.631 -3.030 -10.350 1.00 0.00 C ATOM 0 H ALA A 42 -0.459 -5.440 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.385 -3.888 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.969 -2.002 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.000 -3.313 -9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.059 -3.110 -11.275 1.00 0.00 H new ATOM 594 N ALA A 43 -2.207 -3.322 -12.728 1.00 0.00 N ATOM 595 CA ALA A 43 -2.992 -2.913 -13.886 1.00 0.00 C ATOM 596 C ALA A 43 -4.188 -3.836 -14.093 1.00 0.00 C ATOM 597 O ALA A 43 -5.297 -3.377 -14.366 1.00 0.00 O ATOM 598 CB ALA A 43 -2.120 -2.890 -15.133 1.00 0.00 C ATOM 0 H ALA A 43 -1.209 -3.431 -12.911 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.370 -1.908 -13.700 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.719 -2.583 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.301 -2.185 -14.991 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.714 -3.886 -15.312 1.00 0.00 H new ATOM 604 N ALA A 44 -3.956 -5.137 -13.961 1.00 0.00 N ATOM 605 CA ALA A 44 -5.015 -6.124 -14.132 1.00 0.00 C ATOM 606 C ALA A 44 -6.142 -5.899 -13.130 1.00 0.00 C ATOM 607 O ALA A 44 -7.277 -6.319 -13.353 1.00 0.00 O ATOM 608 CB ALA A 44 -4.454 -7.531 -13.992 1.00 0.00 C ATOM 0 H ALA A 44 -3.043 -5.533 -13.736 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.427 -6.008 -15.134 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.256 -8.257 -14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.689 -7.695 -14.751 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.014 -7.650 -13.002 1.00 0.00 H new ATOM 614 N ALA A 45 -5.820 -5.235 -12.024 1.00 0.00 N ATOM 615 CA ALA A 45 -6.806 -4.954 -10.988 1.00 0.00 C ATOM 616 C ALA A 45 -7.469 -3.600 -11.214 1.00 0.00 C ATOM 617 O ALA A 45 -7.978 -2.984 -10.279 1.00 0.00 O ATOM 618 CB ALA A 45 -6.155 -5.002 -9.613 1.00 0.00 C ATOM 0 H ALA A 45 -4.884 -4.882 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.579 -5.721 -11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.903 -4.790 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.734 -5.993 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.361 -4.257 -9.560 1.00 0.00 H new ATOM 624 N ASN A 46 -7.458 -3.142 -12.462 1.00 0.00 N ATOM 625 CA ASN A 46 -8.058 -1.859 -12.810 1.00 0.00 C ATOM 626 C ASN A 46 -7.406 -0.723 -12.027 1.00 0.00 C ATOM 627 O ASN A 46 -8.089 0.168 -11.521 1.00 0.00 O ATOM 628 CB ASN A 46 -9.563 -1.885 -12.536 1.00 0.00 C ATOM 629 CG ASN A 46 -10.232 -3.123 -13.100 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.257 -4.192 -12.314 1.00 0.00 O flip ATOM 631 ND2 ASN A 46 -10.721 -3.117 -14.230 1.00 0.00 N flip ATOM 0 H ASN A 46 -7.041 -3.640 -13.248 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.892 -1.685 -13.873 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.735 -1.841 -11.460 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.024 -0.997 -12.969 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.679 -2.272 -14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.168 -3.957 -14.597 1.00 0.00 H new ATOM 638 N LEU A 47 -6.082 -0.761 -11.933 1.00 0.00 N ATOM 639 CA LEU A 47 -5.337 0.265 -11.212 1.00 0.00 C ATOM 640 C LEU A 47 -4.658 1.227 -12.182 1.00 0.00 C ATOM 641 O LEU A 47 -4.140 0.815 -13.221 1.00 0.00 O ATOM 642 CB LEU A 47 -4.291 -0.381 -10.301 1.00 0.00 C ATOM 643 CG LEU A 47 -4.830 -1.320 -9.222 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.693 -2.086 -8.564 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.622 -0.541 -8.183 1.00 0.00 C ATOM 0 H LEU A 47 -5.502 -1.491 -12.347 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.042 0.830 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.591 -0.939 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.723 0.412 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.499 -2.039 -9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.096 -2.749 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.169 -2.676 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.998 -1.383 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.998 -1.226 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.976 0.202 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.461 -0.039 -8.666 1.00 0.00 H new ATOM 657 N CYS A 48 -4.662 2.509 -11.835 1.00 0.00 N ATOM 658 CA CYS A 48 -4.045 3.531 -12.674 1.00 0.00 C ATOM 659 C CYS A 48 -3.433 4.638 -11.822 1.00 0.00 C ATOM 660 O CYS A 48 -3.880 4.919 -10.710 1.00 0.00 O ATOM 661 CB CYS A 48 -5.077 4.122 -13.635 1.00 0.00 C ATOM 662 SG CYS A 48 -5.199 3.251 -15.215 1.00 0.00 S ATOM 0 H CYS A 48 -5.086 2.866 -10.979 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.249 3.060 -13.251 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.054 4.114 -13.152 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.824 5.165 -13.826 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.844 2.011 -15.055 1.00 0.00 H new ATOM 668 N PRO A 49 -2.383 5.281 -12.354 1.00 0.00 N ATOM 669 CA PRO A 49 -1.685 6.367 -11.658 1.00 0.00 C ATOM 670 C PRO A 49 -2.533 7.630 -11.558 1.00 0.00 C ATOM 671 O PRO A 49 -2.681 8.369 -12.530 1.00 0.00 O ATOM 672 CB PRO A 49 -0.455 6.617 -12.534 1.00 0.00 C ATOM 673 CG PRO A 49 -0.856 6.153 -13.892 1.00 0.00 C ATOM 674 CD PRO A 49 -1.796 4.999 -13.674 1.00 0.00 C ATOM 0 HA PRO A 49 -1.445 6.103 -10.628 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.182 7.672 -12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.411 6.066 -12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.343 6.953 -14.450 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.014 5.844 -14.472 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.559 4.950 -14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.270 4.045 -13.684 1.00 0.00 H new ATOM 682 N GLY A 50 -3.089 7.872 -10.375 1.00 0.00 N ATOM 683 CA GLY A 50 -3.915 9.047 -10.169 1.00 0.00 C ATOM 684 C GLY A 50 -4.954 8.843 -9.085 1.00 0.00 C ATOM 685 O GLY A 50 -5.575 9.801 -8.623 1.00 0.00 O ATOM 0 H GLY A 50 -2.982 7.275 -9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.279 9.892 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.415 9.304 -11.103 1.00 0.00 H new ATOM 689 N ASP A 51 -5.145 7.593 -8.678 1.00 0.00 N ATOM 690 CA ASP A 51 -6.117 7.267 -7.641 1.00 0.00 C ATOM 691 C ASP A 51 -5.646 7.765 -6.278 1.00 0.00 C ATOM 692 O ASP A 51 -4.446 7.847 -6.016 1.00 0.00 O ATOM 693 CB ASP A 51 -6.354 5.756 -7.592 1.00 0.00 C ATOM 694 CG ASP A 51 -7.469 5.314 -8.518 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.594 5.841 -8.385 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.218 4.442 -9.376 1.00 0.00 O ATOM 0 H ASP A 51 -4.640 6.789 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.054 7.767 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.434 5.238 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.596 5.462 -6.571 1.00 0.00 H new ATOM 701 N VAL A 52 -6.599 8.098 -5.414 1.00 0.00 N ATOM 702 CA VAL A 52 -6.282 8.589 -4.078 1.00 0.00 C ATOM 703 C VAL A 52 -6.412 7.480 -3.040 1.00 0.00 C ATOM 704 O VAL A 52 -7.510 6.992 -2.772 1.00 0.00 O ATOM 705 CB VAL A 52 -7.198 9.761 -3.678 1.00 0.00 C ATOM 706 CG1 VAL A 52 -7.039 10.083 -2.200 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.903 10.983 -4.534 1.00 0.00 C ATOM 0 H VAL A 52 -7.597 8.037 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.250 8.938 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.233 9.466 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.694 10.913 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.305 9.208 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.004 10.358 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.559 11.802 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.864 11.282 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.074 10.742 -5.583 1.00 0.00 H new ATOM 717 N ILE A 53 -5.283 7.086 -2.459 1.00 0.00 N ATOM 718 CA ILE A 53 -5.271 6.035 -1.449 1.00 0.00 C ATOM 719 C ILE A 53 -5.890 6.521 -0.143 1.00 0.00 C ATOM 720 O ILE A 53 -5.378 7.443 0.495 1.00 0.00 O ATOM 721 CB ILE A 53 -3.840 5.537 -1.172 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.159 5.124 -2.479 1.00 0.00 C ATOM 723 CG2 ILE A 53 -3.865 4.374 -0.191 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.712 3.847 -3.071 1.00 0.00 C ATOM 0 H ILE A 53 -4.366 7.479 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.864 5.210 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.267 6.350 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.268 5.929 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.091 4.999 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.847 4.033 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.316 4.699 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.451 3.556 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.183 3.615 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.579 3.030 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.774 3.974 -3.283 1.00 0.00 H new ATOM 736 N LEU A 54 -6.993 5.895 0.252 1.00 0.00 N ATOM 737 CA LEU A 54 -7.682 6.262 1.484 1.00 0.00 C ATOM 738 C LEU A 54 -7.193 5.414 2.654 1.00 0.00 C ATOM 739 O LEU A 54 -6.863 5.938 3.718 1.00 0.00 O ATOM 740 CB LEU A 54 -9.193 6.096 1.316 1.00 0.00 C ATOM 741 CG LEU A 54 -9.860 7.020 0.297 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.284 6.565 0.016 1.00 0.00 C ATOM 743 CD2 LEU A 54 -9.847 8.459 0.793 1.00 0.00 C ATOM 0 H LEU A 54 -7.430 5.131 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.459 7.307 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.395 5.064 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.666 6.255 2.285 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.294 6.972 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.743 7.234 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.270 5.551 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.861 6.583 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.326 9.103 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.389 8.523 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.817 8.783 0.943 1.00 0.00 H new ATOM 755 N ALA A 55 -7.147 4.102 2.449 1.00 0.00 N ATOM 756 CA ALA A 55 -6.694 3.182 3.485 1.00 0.00 C ATOM 757 C ALA A 55 -5.872 2.045 2.889 1.00 0.00 C ATOM 758 O ALA A 55 -6.034 1.696 1.719 1.00 0.00 O ATOM 759 CB ALA A 55 -7.883 2.628 4.256 1.00 0.00 C ATOM 0 H ALA A 55 -7.418 3.652 1.575 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.055 3.736 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.530 1.942 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.428 3.448 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.544 2.096 3.572 1.00 0.00 H new ATOM 765 N ILE A 56 -4.989 1.471 3.699 1.00 0.00 N ATOM 766 CA ILE A 56 -4.142 0.373 3.250 1.00 0.00 C ATOM 767 C ILE A 56 -4.361 -0.873 4.101 1.00 0.00 C ATOM 768 O ILE A 56 -4.417 -0.797 5.328 1.00 0.00 O ATOM 769 CB ILE A 56 -2.651 0.757 3.295 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.380 1.948 2.374 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.786 -0.431 2.902 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.118 2.706 2.721 1.00 0.00 C ATOM 0 H ILE A 56 -4.841 1.748 4.670 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.422 0.159 2.219 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.396 1.046 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.310 1.593 1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.228 2.631 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.735 -0.144 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.962 -1.254 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.041 -0.748 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.990 3.536 2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.193 3.091 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.260 2.037 2.649 1.00 0.00 H new ATOM 784 N ASP A 57 -4.482 -2.020 3.441 1.00 0.00 N ATOM 785 CA ASP A 57 -4.691 -3.284 4.137 1.00 0.00 C ATOM 786 C ASP A 57 -5.647 -3.106 5.313 1.00 0.00 C ATOM 787 O ASP A 57 -5.567 -3.828 6.305 1.00 0.00 O ATOM 788 CB ASP A 57 -3.357 -3.847 4.629 1.00 0.00 C ATOM 789 CG ASP A 57 -2.479 -4.332 3.492 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.810 -5.376 2.891 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.461 -3.669 3.204 1.00 0.00 O ATOM 0 H ASP A 57 -4.439 -2.100 2.425 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.136 -3.988 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.827 -3.078 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.545 -4.672 5.316 1.00 0.00 H new ATOM 796 N GLY A 58 -6.549 -2.137 5.193 1.00 0.00 N ATOM 797 CA GLY A 58 -7.506 -1.879 6.254 1.00 0.00 C ATOM 798 C GLY A 58 -6.985 -0.890 7.277 1.00 0.00 C ATOM 799 O GLY A 58 -7.271 -1.010 8.469 1.00 0.00 O ATOM 0 H GLY A 58 -6.634 -1.526 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.430 -1.496 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.753 -2.816 6.752 1.00 0.00 H new ATOM 803 N PHE A 59 -6.217 0.090 6.813 1.00 0.00 N ATOM 804 CA PHE A 59 -5.652 1.102 7.697 1.00 0.00 C ATOM 805 C PHE A 59 -5.640 2.470 7.020 1.00 0.00 C ATOM 806 O PHE A 59 -4.818 2.733 6.143 1.00 0.00 O ATOM 807 CB PHE A 59 -4.231 0.714 8.112 1.00 0.00 C ATOM 808 CG PHE A 59 -4.183 -0.199 9.304 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.190 0.319 10.589 1.00 0.00 C ATOM 810 CD2 PHE A 59 -4.132 -1.573 9.140 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.145 -0.518 11.688 1.00 0.00 C ATOM 812 CE2 PHE A 59 -4.087 -2.415 10.235 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.095 -1.887 11.511 1.00 0.00 C ATOM 0 H PHE A 59 -5.972 0.205 5.830 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.279 1.161 8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.736 0.228 7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.666 1.619 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.231 1.389 10.734 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.127 -1.992 8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.149 -0.102 12.685 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.046 -3.485 10.093 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.062 -2.543 12.368 1.00 0.00 H new ATOM 823 N GLY A 60 -6.559 3.337 7.434 1.00 0.00 N ATOM 824 CA GLY A 60 -6.638 4.666 6.858 1.00 0.00 C ATOM 825 C GLY A 60 -5.325 5.418 6.952 1.00 0.00 C ATOM 826 O GLY A 60 -4.615 5.320 7.953 1.00 0.00 O ATOM 0 H GLY A 60 -7.250 3.142 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.934 4.588 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.416 5.234 7.368 1.00 0.00 H new ATOM 830 N THR A 61 -5.000 6.171 5.905 1.00 0.00 N ATOM 831 CA THR A 61 -3.762 6.940 5.873 1.00 0.00 C ATOM 832 C THR A 61 -3.965 8.333 6.458 1.00 0.00 C ATOM 833 O THR A 61 -3.471 9.321 5.915 1.00 0.00 O ATOM 834 CB THR A 61 -3.221 7.072 4.437 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.044 7.970 3.684 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.178 5.717 3.747 1.00 0.00 C ATOM 0 H THR A 61 -5.577 6.264 5.069 1.00 0.00 H new ATOM 0 HA THR A 61 -3.036 6.397 6.479 1.00 0.00 H new ATOM 0 HB THR A 61 -2.206 7.467 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.922 8.883 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.793 5.836 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.527 5.045 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.183 5.298 3.705 1.00 0.00 H new ATOM 844 N GLU A 62 -4.694 8.404 7.567 1.00 0.00 N ATOM 845 CA GLU A 62 -4.961 9.677 8.225 1.00 0.00 C ATOM 846 C GLU A 62 -3.704 10.213 8.905 1.00 0.00 C ATOM 847 O GLU A 62 -3.505 11.424 9.000 1.00 0.00 O ATOM 848 CB GLU A 62 -6.083 9.520 9.253 1.00 0.00 C ATOM 849 CG GLU A 62 -5.725 8.601 10.409 1.00 0.00 C ATOM 850 CD GLU A 62 -6.776 8.601 11.502 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.752 7.830 11.385 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.624 9.371 12.473 1.00 0.00 O ATOM 0 H GLU A 62 -5.110 7.595 8.028 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.273 10.391 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.343 10.502 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.971 9.132 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.596 7.586 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.768 8.909 10.830 1.00 0.00 H new ATOM 859 N SER A 63 -2.860 9.301 9.377 1.00 0.00 N ATOM 860 CA SER A 63 -1.624 9.681 10.052 1.00 0.00 C ATOM 861 C SER A 63 -0.452 8.841 9.553 1.00 0.00 C ATOM 862 O SER A 63 0.528 8.637 10.268 1.00 0.00 O ATOM 863 CB SER A 63 -1.775 9.517 11.566 1.00 0.00 C ATOM 864 OG SER A 63 -0.717 10.159 12.256 1.00 0.00 O ATOM 0 H SER A 63 -3.009 8.295 9.305 1.00 0.00 H new ATOM 0 HA SER A 63 -1.421 10.728 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.729 9.935 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.789 8.457 11.821 1.00 0.00 H new ATOM 0 HG SER A 63 0.138 9.911 11.847 1.00 0.00 H new ATOM 870 N MET A 64 -0.562 8.357 8.320 1.00 0.00 N ATOM 871 CA MET A 64 0.489 7.541 7.723 1.00 0.00 C ATOM 872 C MET A 64 1.236 8.319 6.645 1.00 0.00 C ATOM 873 O MET A 64 0.710 8.554 5.557 1.00 0.00 O ATOM 874 CB MET A 64 -0.105 6.263 7.127 1.00 0.00 C ATOM 875 CG MET A 64 0.721 5.681 5.992 1.00 0.00 C ATOM 876 SD MET A 64 0.571 3.888 5.873 1.00 0.00 S ATOM 877 CE MET A 64 -1.189 3.678 6.125 1.00 0.00 C ATOM 0 H MET A 64 -1.368 8.516 7.715 1.00 0.00 H new ATOM 0 HA MET A 64 1.196 7.273 8.508 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.203 5.516 7.915 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.110 6.475 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.406 6.131 5.051 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.768 5.945 6.137 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.551 2.859 5.503 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.382 3.449 7.173 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.708 4.597 5.853 1.00 0.00 H new ATOM 887 N THR A 65 2.466 8.717 6.955 1.00 0.00 N ATOM 888 CA THR A 65 3.285 9.470 6.013 1.00 0.00 C ATOM 889 C THR A 65 3.758 8.585 4.866 1.00 0.00 C ATOM 890 O THR A 65 3.679 7.358 4.941 1.00 0.00 O ATOM 891 CB THR A 65 4.512 10.091 6.707 1.00 0.00 C ATOM 892 OG1 THR A 65 5.432 9.062 7.089 1.00 0.00 O ATOM 893 CG2 THR A 65 4.095 10.886 7.935 1.00 0.00 C ATOM 0 H THR A 65 2.917 8.530 7.851 1.00 0.00 H new ATOM 0 HA THR A 65 2.658 10.269 5.617 1.00 0.00 H new ATOM 0 HB THR A 65 4.996 10.768 6.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.000 8.459 7.729 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.978 11.315 8.408 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.418 11.687 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.589 10.227 8.641 1.00 0.00 H new ATOM 901 N HIS A 66 4.252 9.214 3.804 1.00 0.00 N ATOM 902 CA HIS A 66 4.740 8.482 2.640 1.00 0.00 C ATOM 903 C HIS A 66 5.561 7.269 3.066 1.00 0.00 C ATOM 904 O HIS A 66 5.248 6.137 2.700 1.00 0.00 O ATOM 905 CB HIS A 66 5.584 9.398 1.753 1.00 0.00 C ATOM 906 CG HIS A 66 5.524 9.044 0.299 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.350 8.719 -0.349 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.501 8.968 -0.635 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.609 8.456 -1.617 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.906 8.600 -1.817 1.00 0.00 N ATOM 0 H HIS A 66 4.325 10.228 3.725 1.00 0.00 H new ATOM 0 HA HIS A 66 3.877 8.133 2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.247 10.427 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.621 9.358 2.086 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.552 9.161 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.883 8.171 -2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.388 8.461 -2.705 1.00 0.00 H new ATOM 919 N ALA A 67 6.612 7.515 3.841 1.00 0.00 N ATOM 920 CA ALA A 67 7.477 6.442 4.317 1.00 0.00 C ATOM 921 C ALA A 67 6.664 5.332 4.973 1.00 0.00 C ATOM 922 O ALA A 67 6.873 4.150 4.697 1.00 0.00 O ATOM 923 CB ALA A 67 8.508 6.990 5.293 1.00 0.00 C ATOM 0 H ALA A 67 6.885 8.447 4.153 1.00 0.00 H new ATOM 0 HA ALA A 67 7.995 6.018 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.147 6.178 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.117 7.743 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.999 7.441 6.145 1.00 0.00 H new ATOM 929 N ASP A 68 5.736 5.718 5.842 1.00 0.00 N ATOM 930 CA ASP A 68 4.891 4.754 6.537 1.00 0.00 C ATOM 931 C ASP A 68 4.186 3.834 5.545 1.00 0.00 C ATOM 932 O ASP A 68 4.135 2.620 5.737 1.00 0.00 O ATOM 933 CB ASP A 68 3.858 5.479 7.401 1.00 0.00 C ATOM 934 CG ASP A 68 4.374 5.772 8.796 1.00 0.00 C ATOM 935 OD1 ASP A 68 4.226 4.901 9.678 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.925 6.874 9.007 1.00 0.00 O ATOM 0 H ASP A 68 5.550 6.692 6.082 1.00 0.00 H new ATOM 0 HA ASP A 68 5.529 4.146 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.576 6.414 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.956 4.871 7.471 1.00 0.00 H new ATOM 941 N ALA A 69 3.642 4.422 4.484 1.00 0.00 N ATOM 942 CA ALA A 69 2.941 3.656 3.461 1.00 0.00 C ATOM 943 C ALA A 69 3.867 2.635 2.810 1.00 0.00 C ATOM 944 O ALA A 69 3.490 1.480 2.611 1.00 0.00 O ATOM 945 CB ALA A 69 2.358 4.588 2.410 1.00 0.00 C ATOM 0 H ALA A 69 3.674 5.427 4.311 1.00 0.00 H new ATOM 0 HA ALA A 69 2.126 3.115 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.837 4.002 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.656 5.276 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.162 5.155 1.941 1.00 0.00 H new ATOM 951 N GLN A 70 5.079 3.068 2.479 1.00 0.00 N ATOM 952 CA GLN A 70 6.058 2.190 1.848 1.00 0.00 C ATOM 953 C GLN A 70 6.329 0.965 2.714 1.00 0.00 C ATOM 954 O GLN A 70 6.601 -0.122 2.203 1.00 0.00 O ATOM 955 CB GLN A 70 7.363 2.947 1.592 1.00 0.00 C ATOM 956 CG GLN A 70 7.154 4.379 1.125 1.00 0.00 C ATOM 957 CD GLN A 70 8.267 4.864 0.217 1.00 0.00 C ATOM 958 OE1 GLN A 70 9.409 4.417 0.322 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.938 5.785 -0.681 1.00 0.00 N ATOM 0 H GLN A 70 5.407 4.021 2.637 1.00 0.00 H new ATOM 0 HA GLN A 70 5.647 1.855 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.954 2.955 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.944 2.410 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.203 4.450 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.087 5.034 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.978 6.127 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.645 6.150 -1.319 1.00 0.00 H new ATOM 968 N ASP A 71 6.253 1.147 4.028 1.00 0.00 N ATOM 969 CA ASP A 71 6.489 0.056 4.966 1.00 0.00 C ATOM 970 C ASP A 71 5.208 -0.735 5.213 1.00 0.00 C ATOM 971 O ASP A 71 5.239 -1.819 5.796 1.00 0.00 O ATOM 972 CB ASP A 71 7.030 0.600 6.289 1.00 0.00 C ATOM 973 CG ASP A 71 8.543 0.692 6.302 1.00 0.00 C ATOM 974 OD1 ASP A 71 9.128 1.000 5.242 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.143 0.456 7.371 1.00 0.00 O ATOM 0 H ASP A 71 6.030 2.040 4.467 1.00 0.00 H new ATOM 0 HA ASP A 71 7.229 -0.613 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.607 1.588 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.701 -0.044 7.105 1.00 0.00 H new ATOM 980 N ARG A 72 4.084 -0.186 4.766 1.00 0.00 N ATOM 981 CA ARG A 72 2.792 -0.839 4.941 1.00 0.00 C ATOM 982 C ARG A 72 2.413 -1.635 3.695 1.00 0.00 C ATOM 983 O ARG A 72 1.660 -2.606 3.774 1.00 0.00 O ATOM 984 CB ARG A 72 1.709 0.198 5.245 1.00 0.00 C ATOM 985 CG ARG A 72 1.529 0.473 6.729 1.00 0.00 C ATOM 986 CD ARG A 72 0.496 -0.457 7.346 1.00 0.00 C ATOM 987 NE ARG A 72 0.312 -0.201 8.772 1.00 0.00 N ATOM 988 CZ ARG A 72 1.110 -0.689 9.715 1.00 0.00 C ATOM 989 NH1 ARG A 72 2.142 -1.453 9.385 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.877 -0.411 10.992 1.00 0.00 N ATOM 0 H ARG A 72 4.041 0.710 4.280 1.00 0.00 H new ATOM 0 HA ARG A 72 2.872 -1.528 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.958 1.131 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.762 -0.146 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.483 0.350 7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.221 1.508 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.456 -0.335 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.807 -1.492 7.201 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.472 0.385 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.325 -1.667 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.753 -1.826 10.111 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.085 0.178 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.490 -0.786 11.716 1.00 0.00 H new ATOM 1004 N ILE A 73 2.939 -1.218 2.549 1.00 0.00 N ATOM 1005 CA ILE A 73 2.656 -1.892 1.288 1.00 0.00 C ATOM 1006 C ILE A 73 3.588 -3.081 1.080 1.00 0.00 C ATOM 1007 O ILE A 73 3.157 -4.158 0.667 1.00 0.00 O ATOM 1008 CB ILE A 73 2.793 -0.932 0.093 1.00 0.00 C ATOM 1009 CG1 ILE A 73 1.781 0.210 0.209 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.603 -1.684 -1.216 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.236 1.491 -0.454 1.00 0.00 C ATOM 0 H ILE A 73 3.564 -0.416 2.467 1.00 0.00 H new ATOM 0 HA ILE A 73 1.626 -2.245 1.343 1.00 0.00 H new ATOM 0 HB ILE A 73 3.796 -0.506 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.838 -0.105 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.586 0.406 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.703 -0.991 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.359 -2.465 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.611 -2.135 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.469 2.256 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.163 1.830 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.404 1.311 -1.516 1.00 0.00 H new ATOM 1023 N LYS A 74 4.869 -2.880 1.371 1.00 0.00 N ATOM 1024 CA LYS A 74 5.863 -3.936 1.219 1.00 0.00 C ATOM 1025 C LYS A 74 5.641 -5.044 2.243 1.00 0.00 C ATOM 1026 O LYS A 74 5.888 -6.217 1.966 1.00 0.00 O ATOM 1027 CB LYS A 74 7.274 -3.362 1.371 1.00 0.00 C ATOM 1028 CG LYS A 74 7.641 -3.022 2.805 1.00 0.00 C ATOM 1029 CD LYS A 74 8.955 -2.262 2.879 1.00 0.00 C ATOM 1030 CE LYS A 74 10.145 -3.209 2.925 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.593 -3.603 1.560 1.00 0.00 N ATOM 0 H LYS A 74 5.243 -1.995 1.714 1.00 0.00 H new ATOM 0 HA LYS A 74 5.755 -4.361 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.994 -4.082 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.359 -2.463 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.848 -2.423 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.717 -3.939 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.045 -1.604 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.960 -1.627 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.969 -2.731 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.878 -4.101 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.571 -4.639 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.959 -3.182 0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.563 -3.263 1.401 1.00 0.00 H new ATOM 1045 N ALA A 75 5.173 -4.664 3.427 1.00 0.00 N ATOM 1046 CA ALA A 75 4.914 -5.626 4.491 1.00 0.00 C ATOM 1047 C ALA A 75 3.456 -6.074 4.484 1.00 0.00 C ATOM 1048 O ALA A 75 2.967 -6.641 5.460 1.00 0.00 O ATOM 1049 CB ALA A 75 5.278 -5.029 5.843 1.00 0.00 C ATOM 0 H ALA A 75 4.965 -3.696 3.674 1.00 0.00 H new ATOM 0 HA ALA A 75 5.537 -6.503 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.079 -5.758 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.336 -4.766 5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.680 -4.135 6.019 1.00 0.00 H new ATOM 1055 N ALA A 76 2.768 -5.815 3.377 1.00 0.00 N ATOM 1056 CA ALA A 76 1.367 -6.192 3.243 1.00 0.00 C ATOM 1057 C ALA A 76 1.185 -7.697 3.409 1.00 0.00 C ATOM 1058 O ALA A 76 2.155 -8.432 3.600 1.00 0.00 O ATOM 1059 CB ALA A 76 0.825 -5.739 1.895 1.00 0.00 C ATOM 0 H ALA A 76 3.159 -5.345 2.560 1.00 0.00 H new ATOM 0 HA ALA A 76 0.806 -5.695 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.223 -6.027 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.911 -4.655 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.398 -6.209 1.096 1.00 0.00 H new ATOM 1065 N SER A 77 -0.062 -8.150 3.337 1.00 0.00 N ATOM 1066 CA SER A 77 -0.371 -9.568 3.484 1.00 0.00 C ATOM 1067 C SER A 77 -0.671 -10.202 2.129 1.00 0.00 C ATOM 1068 O SER A 77 -0.672 -9.525 1.101 1.00 0.00 O ATOM 1069 CB SER A 77 -1.563 -9.757 4.424 1.00 0.00 C ATOM 1070 OG SER A 77 -1.269 -9.277 5.724 1.00 0.00 O ATOM 0 H SER A 77 -0.876 -7.556 3.178 1.00 0.00 H new ATOM 0 HA SER A 77 0.501 -10.062 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.431 -9.231 4.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.827 -10.813 4.474 1.00 0.00 H new ATOM 0 HG SER A 77 -2.047 -9.408 6.305 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.924 -11.506 2.137 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.223 -12.233 0.909 1.00 0.00 C ATOM 1078 C TYR A 78 -2.232 -11.471 0.056 1.00 0.00 C ATOM 1079 O TYR A 78 -2.273 -11.628 -1.164 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.764 -13.626 1.236 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.768 -13.636 2.366 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.352 -13.661 3.692 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.134 -13.621 2.109 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.266 -13.671 4.728 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.055 -13.629 3.139 1.00 0.00 C ATOM 1086 CZ TYR A 78 -4.616 -13.654 4.446 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.530 -13.663 5.475 1.00 0.00 O ATOM 0 H TYR A 78 -0.928 -12.081 2.980 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.298 -12.333 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.230 -14.044 0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.930 -14.278 1.496 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.296 -13.673 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.481 -13.603 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.925 -13.692 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.113 -13.616 2.922 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.438 -13.647 5.106 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.043 -10.644 0.708 1.00 0.00 N ATOM 1098 CA GLN A 79 -4.052 -9.857 0.009 1.00 0.00 C ATOM 1099 C GLN A 79 -3.989 -8.393 0.432 1.00 0.00 C ATOM 1100 O GLN A 79 -4.055 -8.076 1.621 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.448 -10.419 0.283 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.709 -10.712 1.752 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.299 -9.524 2.488 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -5.618 -8.867 3.276 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.571 -9.243 2.234 1.00 0.00 N ATOM 0 H GLN A 79 -3.021 -10.502 1.718 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.847 -9.917 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.193 -9.709 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.580 -11.336 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.389 -11.560 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.775 -11.005 2.232 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.097 -9.815 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.022 -8.455 2.699 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.861 -7.505 -0.547 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.788 -6.073 -0.277 1.00 0.00 C ATOM 1116 C LEU A 80 -5.134 -5.402 -0.531 1.00 0.00 C ATOM 1117 O LEU A 80 -5.702 -5.520 -1.617 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.710 -5.424 -1.146 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.620 -3.899 -1.077 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -2.231 -3.450 0.323 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.624 -3.376 -2.102 1.00 0.00 C ATOM 0 H LEU A 80 -3.806 -7.751 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.528 -5.939 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.743 -5.838 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.886 -5.711 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.601 -3.486 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.172 -2.362 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.981 -3.792 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.261 -3.873 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.573 -2.289 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.639 -3.798 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.945 -3.666 -3.102 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.637 -4.697 0.476 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.917 -4.005 0.362 1.00 0.00 C ATOM 1135 C CYS A 81 -6.718 -2.493 0.356 1.00 0.00 C ATOM 1136 O CYS A 81 -6.787 -1.844 1.401 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.842 -4.407 1.511 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.824 -5.890 1.185 1.00 0.00 S ATOM 0 H CYS A 81 -5.179 -4.589 1.381 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.377 -4.296 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.242 -4.571 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.516 -3.578 1.727 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.572 -6.150 2.216 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.471 -1.938 -0.825 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.261 -0.502 -0.967 1.00 0.00 C ATOM 1146 C LEU A 82 -7.558 0.203 -1.350 1.00 0.00 C ATOM 1147 O LEU A 82 -8.136 -0.065 -2.403 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.187 -0.225 -2.020 1.00 0.00 C ATOM 1149 CG LEU A 82 -3.742 -0.485 -1.590 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -2.807 -0.404 -2.786 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.320 0.505 -0.514 1.00 0.00 C ATOM 0 H LEU A 82 -6.411 -2.461 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.927 -0.112 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.400 -0.837 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.271 0.817 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.682 -1.491 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.784 -0.592 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.096 -1.151 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.870 0.589 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.290 0.305 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.396 1.520 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.972 0.399 0.353 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.010 1.108 -0.488 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.238 1.855 -0.736 1.00 0.00 C ATOM 1165 C LYS A 83 -8.946 3.141 -1.502 1.00 0.00 C ATOM 1166 O LYS A 83 -7.891 3.752 -1.328 1.00 0.00 O ATOM 1167 CB LYS A 83 -9.935 2.184 0.586 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.390 2.587 0.423 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.137 2.531 1.745 1.00 0.00 C ATOM 1170 CE LYS A 83 -11.690 3.640 2.685 1.00 0.00 C ATOM 1171 NZ LYS A 83 -12.195 3.430 4.070 1.00 0.00 N ATOM 0 H LYS A 83 -7.544 1.342 0.389 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.897 1.233 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.879 1.316 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.396 2.993 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.445 3.597 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.873 1.926 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.208 2.617 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.971 1.563 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.601 3.688 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.046 4.599 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.869 4.207 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.235 3.410 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.834 2.526 4.438 1.00 0.00 H new ATOM 1185 N ILE A 84 -9.887 3.547 -2.348 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.731 4.762 -3.138 1.00 0.00 C ATOM 1187 C ILE A 84 -11.051 5.515 -3.255 1.00 0.00 C ATOM 1188 O ILE A 84 -12.124 4.911 -3.258 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.203 4.450 -4.551 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -9.944 3.249 -5.143 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -7.705 4.189 -4.512 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -11.175 3.629 -5.936 1.00 0.00 C ATOM 0 H ILE A 84 -10.765 3.052 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.005 5.386 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.384 5.315 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.263 2.694 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.235 2.578 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.347 3.970 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.192 5.071 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.501 3.339 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.649 2.728 -6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.876 4.157 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.888 4.276 -6.765 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.965 6.837 -3.354 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.154 7.673 -3.474 1.00 0.00 C ATOM 1206 C ASP A 85 -12.511 7.902 -4.940 1.00 0.00 C ATOM 1207 O ASP A 85 -12.877 9.009 -5.334 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.931 9.016 -2.776 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.231 9.666 -2.345 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -14.057 9.985 -3.227 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.424 9.856 -1.126 1.00 0.00 O ATOM 0 H ASP A 85 -10.085 7.353 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.983 7.154 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.295 8.868 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.397 9.688 -3.448 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.402 6.847 -5.741 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.711 6.933 -7.163 1.00 0.00 C ATOM 1218 C ARG A 86 -12.163 8.226 -7.762 1.00 0.00 C ATOM 1219 O ARG A 86 -12.809 8.856 -8.599 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.223 6.857 -7.384 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.615 6.200 -8.697 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.389 7.133 -9.876 1.00 0.00 C ATOM 1223 NE ARG A 86 -13.002 7.112 -10.333 1.00 0.00 N ATOM 1224 CZ ARG A 86 -12.510 6.186 -11.148 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -13.289 5.210 -11.594 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -11.237 6.234 -11.519 1.00 0.00 N ATOM 0 H ARG A 86 -12.102 5.923 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.235 6.090 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.674 6.303 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.637 7.865 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.034 5.288 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.664 5.907 -8.659 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.046 6.845 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.661 8.149 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.377 7.849 -10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.268 5.169 -11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.909 4.500 -12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.634 6.983 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.861 5.522 -12.145 1.00 0.00 H new ATOM 1240 N ALA A 87 -10.970 8.615 -7.325 1.00 0.00 N ATOM 1241 CA ALA A 87 -10.335 9.831 -7.818 1.00 0.00 C ATOM 1242 C ALA A 87 -10.060 9.738 -9.315 1.00 0.00 C ATOM 1243 O ALA A 87 -9.122 9.064 -9.742 1.00 0.00 O ATOM 1244 CB ALA A 87 -9.045 10.098 -7.058 1.00 0.00 C ATOM 0 H ALA A 87 -10.424 8.106 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.020 10.662 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.582 11.009 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.266 10.217 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.362 9.260 -7.195 1.00 0.00 H new ATOM 1250 N GLU A 88 -10.883 10.418 -10.107 1.00 0.00 N ATOM 1251 CA GLU A 88 -10.727 10.410 -11.557 1.00 0.00 C ATOM 1252 C GLU A 88 -10.020 11.674 -12.036 1.00 0.00 C ATOM 1253 O GLU A 88 -9.161 11.625 -12.917 1.00 0.00 O ATOM 1254 CB GLU A 88 -12.092 10.286 -12.238 1.00 0.00 C ATOM 1255 CG GLU A 88 -13.102 11.319 -11.767 1.00 0.00 C ATOM 1256 CD GLU A 88 -14.357 11.338 -12.619 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -15.250 10.500 -12.380 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -14.444 12.193 -13.526 1.00 0.00 O ATOM 0 H GLU A 88 -11.664 10.981 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.115 9.549 -11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.961 10.383 -13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.492 9.289 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.373 11.111 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.641 12.307 -11.784 1.00 0.00 H new ATOM 1265 N THR A 89 -10.388 12.809 -11.449 1.00 0.00 N ATOM 1266 CA THR A 89 -9.792 14.088 -11.815 1.00 0.00 C ATOM 1267 C THR A 89 -9.392 14.882 -10.577 1.00 0.00 C ATOM 1268 O THR A 89 -8.984 16.040 -10.676 1.00 0.00 O ATOM 1269 CB THR A 89 -10.757 14.935 -12.665 1.00 0.00 C ATOM 1270 OG1 THR A 89 -11.387 14.114 -13.655 1.00 0.00 O ATOM 1271 CG2 THR A 89 -10.019 16.079 -13.343 1.00 0.00 C ATOM 0 H THR A 89 -11.097 12.868 -10.718 1.00 0.00 H new ATOM 0 HA THR A 89 -8.902 13.865 -12.404 1.00 0.00 H new ATOM 0 HB THR A 89 -11.516 15.354 -12.004 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.000 14.660 -14.190 1.00 0.00 H new ATOM 0 HG21 THR A 89 -10.721 16.663 -13.938 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.565 16.718 -12.586 1.00 0.00 H new ATOM 0 HG23 THR A 89 -9.241 15.676 -13.992 1.00 0.00 H new ATOM 1279 N ARG A 90 -9.509 14.254 -9.412 1.00 0.00 N ATOM 1280 CA ARG A 90 -9.160 14.903 -8.155 1.00 0.00 C ATOM 1281 C ARG A 90 -7.828 15.638 -8.274 1.00 0.00 C ATOM 1282 O ARG A 90 -6.761 15.024 -8.220 1.00 0.00 O ATOM 1283 CB ARG A 90 -9.087 13.873 -7.027 1.00 0.00 C ATOM 1284 CG ARG A 90 -10.438 13.545 -6.413 1.00 0.00 C ATOM 1285 CD ARG A 90 -11.519 13.428 -7.476 1.00 0.00 C ATOM 1286 NE ARG A 90 -12.837 13.193 -6.893 1.00 0.00 N ATOM 1287 CZ ARG A 90 -13.562 14.141 -6.308 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -13.098 15.380 -6.230 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -14.753 13.849 -5.801 1.00 0.00 N ATOM 0 H ARG A 90 -9.843 13.295 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.938 15.631 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.640 12.956 -7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.424 14.247 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.369 12.609 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.712 14.321 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.543 14.341 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.272 12.612 -8.155 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.222 12.250 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.183 15.607 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.656 16.106 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.113 12.896 -5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.309 14.577 -5.352 1.00 0.00 H new ATOM 1303 N LEU A 91 -7.897 16.955 -8.437 1.00 0.00 N ATOM 1304 CA LEU A 91 -6.697 17.774 -8.565 1.00 0.00 C ATOM 1305 C LEU A 91 -5.922 17.812 -7.251 1.00 0.00 C ATOM 1306 O LEU A 91 -4.691 17.856 -7.247 1.00 0.00 O ATOM 1307 CB LEU A 91 -7.068 19.195 -8.993 1.00 0.00 C ATOM 1308 CG LEU A 91 -5.899 20.121 -9.331 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -6.314 21.143 -10.378 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -5.390 20.816 -8.077 1.00 0.00 C ATOM 0 H LEU A 91 -8.771 17.478 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.061 17.326 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.719 19.132 -9.865 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.649 19.654 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.089 19.518 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.470 21.793 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.630 20.627 -11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.140 21.742 -9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.558 21.471 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.193 21.407 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.053 20.069 -7.358 1.00 0.00 H new ATOM 1322 N TRP A 92 -6.649 17.793 -6.141 1.00 0.00 N ATOM 1323 CA TRP A 92 -6.029 17.824 -4.821 1.00 0.00 C ATOM 1324 C TRP A 92 -6.556 16.692 -3.946 1.00 0.00 C ATOM 1325 O TRP A 92 -7.321 15.844 -4.405 1.00 0.00 O ATOM 1326 CB TRP A 92 -6.289 19.171 -4.144 1.00 0.00 C ATOM 1327 CG TRP A 92 -7.740 19.543 -4.098 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -8.752 18.827 -3.526 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -8.340 20.720 -4.649 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -9.946 19.488 -3.688 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -9.720 20.653 -4.373 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -7.846 21.826 -5.347 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -10.608 21.648 -4.771 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -8.729 22.812 -5.742 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -10.097 22.719 -5.453 1.00 0.00 C ATOM 0 H TRP A 92 -7.668 17.756 -6.128 1.00 0.00 H new ATOM 0 HA TRP A 92 -4.955 17.691 -4.948 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.897 19.140 -3.127 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.739 19.948 -4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.632 17.880 -3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.853 19.164 -3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.793 21.908 -5.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -11.663 21.578 -4.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -8.358 23.670 -6.283 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -10.761 23.508 -5.775 1.00 0.00 H new ATOM 1346 N SER A 93 -6.141 16.683 -2.683 1.00 0.00 N ATOM 1347 CA SER A 93 -6.569 15.652 -1.745 1.00 0.00 C ATOM 1348 C SER A 93 -8.074 15.728 -1.503 1.00 0.00 C ATOM 1349 O SER A 93 -8.584 16.667 -0.893 1.00 0.00 O ATOM 1350 CB SER A 93 -5.820 15.798 -0.418 1.00 0.00 C ATOM 1351 OG SER A 93 -6.119 17.036 0.203 1.00 0.00 O ATOM 0 H SER A 93 -5.509 17.378 -2.286 1.00 0.00 H new ATOM 0 HA SER A 93 -6.337 14.680 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.091 14.979 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.747 15.725 -0.593 1.00 0.00 H new ATOM 0 HG SER A 93 -7.062 17.258 0.054 1.00 0.00 H new ATOM 1357 N PRO A 94 -8.802 14.714 -1.994 1.00 0.00 N ATOM 1358 CA PRO A 94 -10.258 14.641 -1.845 1.00 0.00 C ATOM 1359 C PRO A 94 -10.681 14.376 -0.403 1.00 0.00 C ATOM 1360 O PRO A 94 -9.872 14.480 0.518 1.00 0.00 O ATOM 1361 CB PRO A 94 -10.648 13.463 -2.741 1.00 0.00 C ATOM 1362 CG PRO A 94 -9.426 12.614 -2.804 1.00 0.00 C ATOM 1363 CD PRO A 94 -8.260 13.561 -2.732 1.00 0.00 C ATOM 0 HA PRO A 94 -10.743 15.579 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.492 12.912 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.946 13.802 -3.733 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.402 11.902 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.401 12.034 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.411 13.115 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.912 13.847 -3.725 1.00 0.00 H new ATOM 1371 N GLN A 95 -11.951 14.032 -0.218 1.00 0.00 N ATOM 1372 CA GLN A 95 -12.479 13.753 1.112 1.00 0.00 C ATOM 1373 C GLN A 95 -12.939 12.302 1.222 1.00 0.00 C ATOM 1374 O GLN A 95 -13.712 11.821 0.394 1.00 0.00 O ATOM 1375 CB GLN A 95 -13.643 14.694 1.430 1.00 0.00 C ATOM 1376 CG GLN A 95 -13.210 16.127 1.698 1.00 0.00 C ATOM 1377 CD GLN A 95 -13.143 16.961 0.434 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -12.192 16.859 -0.341 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -14.154 17.794 0.220 1.00 0.00 N ATOM 0 H GLN A 95 -12.633 13.940 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.680 13.918 1.834 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.345 14.685 0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.178 14.316 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.907 16.589 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.232 16.123 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.922 17.846 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.163 18.382 -0.614 1.00 0.00 H new ATOM 1388 N VAL A 96 -12.457 11.610 2.250 1.00 0.00 N ATOM 1389 CA VAL A 96 -12.819 10.215 2.468 1.00 0.00 C ATOM 1390 C VAL A 96 -14.255 9.945 2.033 1.00 0.00 C ATOM 1391 O VAL A 96 -15.189 10.593 2.503 1.00 0.00 O ATOM 1392 CB VAL A 96 -12.660 9.819 3.948 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -13.538 10.692 4.832 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -12.989 8.347 4.144 1.00 0.00 C ATOM 0 H VAL A 96 -11.815 11.993 2.944 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.140 9.614 1.863 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.621 9.978 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.412 10.397 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -13.250 11.736 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -14.582 10.568 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.871 8.085 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -14.018 8.160 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.314 7.740 3.541 1.00 0.00 H new ATOM 1404 N SER A 97 -14.423 8.982 1.131 1.00 0.00 N ATOM 1405 CA SER A 97 -15.745 8.628 0.629 1.00 0.00 C ATOM 1406 C SER A 97 -16.643 8.137 1.761 1.00 0.00 C ATOM 1407 O SER A 97 -17.761 8.620 1.936 1.00 0.00 O ATOM 1408 CB SER A 97 -15.632 7.550 -0.451 1.00 0.00 C ATOM 1409 OG SER A 97 -15.486 8.130 -1.736 1.00 0.00 O ATOM 0 H SER A 97 -13.660 8.434 0.734 1.00 0.00 H new ATOM 0 HA SER A 97 -16.193 9.522 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.778 6.907 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.520 6.918 -0.433 1.00 0.00 H new ATOM 0 HG SER A 97 -15.414 7.421 -2.409 1.00 0.00 H new ATOM 1415 N SER A 98 -16.143 7.173 2.528 1.00 0.00 N ATOM 1416 CA SER A 98 -16.900 6.612 3.642 1.00 0.00 C ATOM 1417 C SER A 98 -16.229 6.938 4.973 1.00 0.00 C ATOM 1418 O SER A 98 -15.411 6.168 5.474 1.00 0.00 O ATOM 1419 CB SER A 98 -17.034 5.097 3.483 1.00 0.00 C ATOM 1420 OG SER A 98 -17.873 4.771 2.389 1.00 0.00 O ATOM 0 H SER A 98 -15.217 6.764 2.399 1.00 0.00 H new ATOM 0 HA SER A 98 -17.894 7.060 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.049 4.655 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.441 4.667 4.398 1.00 0.00 H new ATOM 0 HG SER A 98 -17.941 3.797 2.308 1.00 0.00 H new ATOM 1426 N GLY A 99 -16.583 8.088 5.541 1.00 0.00 N ATOM 1427 CA GLY A 99 -16.007 8.497 6.808 1.00 0.00 C ATOM 1428 C GLY A 99 -16.957 8.289 7.971 1.00 0.00 C ATOM 1429 O GLY A 99 -18.137 8.635 7.906 1.00 0.00 O ATOM 0 H GLY A 99 -17.258 8.743 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.091 7.934 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.729 9.549 6.754 1.00 0.00 H new ATOM 1433 N PRO A 100 -16.441 7.710 9.066 1.00 0.00 N ATOM 1434 CA PRO A 100 -17.236 7.442 10.268 1.00 0.00 C ATOM 1435 C PRO A 100 -17.619 8.721 11.006 1.00 0.00 C ATOM 1436 O PRO A 100 -18.776 8.910 11.380 1.00 0.00 O ATOM 1437 CB PRO A 100 -16.301 6.589 11.128 1.00 0.00 C ATOM 1438 CG PRO A 100 -14.929 6.960 10.680 1.00 0.00 C ATOM 1439 CD PRO A 100 -15.043 7.271 9.213 1.00 0.00 C ATOM 0 HA PRO A 100 -18.182 6.956 10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.440 6.796 12.189 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.491 5.525 10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.557 7.822 11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.228 6.143 10.853 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.343 8.050 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.830 6.396 8.599 1.00 0.00 H new ATOM 1447 N SER A 101 -16.640 9.596 11.211 1.00 0.00 N ATOM 1448 CA SER A 101 -16.874 10.856 11.908 1.00 0.00 C ATOM 1449 C SER A 101 -16.901 12.023 10.925 1.00 0.00 C ATOM 1450 O SER A 101 -15.878 12.657 10.669 1.00 0.00 O ATOM 1451 CB SER A 101 -15.792 11.088 12.964 1.00 0.00 C ATOM 1452 OG SER A 101 -16.285 11.874 14.035 1.00 0.00 O ATOM 0 H SER A 101 -15.677 9.456 10.905 1.00 0.00 H new ATOM 0 HA SER A 101 -17.844 10.796 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.439 10.129 13.345 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.935 11.585 12.508 1.00 0.00 H new ATOM 0 HG SER A 101 -15.575 12.007 14.697 1.00 0.00 H new ATOM 1458 N SER A 102 -18.080 12.299 10.377 1.00 0.00 N ATOM 1459 CA SER A 102 -18.242 13.387 9.420 1.00 0.00 C ATOM 1460 C SER A 102 -18.584 14.692 10.132 1.00 0.00 C ATOM 1461 O SER A 102 -19.441 15.452 9.683 1.00 0.00 O ATOM 1462 CB SER A 102 -19.335 13.044 8.406 1.00 0.00 C ATOM 1463 OG SER A 102 -20.621 13.122 8.997 1.00 0.00 O ATOM 0 H SER A 102 -18.937 11.784 10.579 1.00 0.00 H new ATOM 0 HA SER A 102 -17.296 13.518 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 102 -19.278 13.728 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.171 12.040 8.015 1.00 0.00 H new ATOM 0 HG SER A 102 -21.302 12.900 8.328 1.00 0.00 H new ATOM 1469 N GLY A 103 -17.907 14.945 11.248 1.00 0.00 N ATOM 1470 CA GLY A 103 -18.152 16.158 12.006 1.00 0.00 C ATOM 1471 C GLY A 103 -16.885 16.734 12.605 1.00 0.00 C ATOM 1472 O GLY A 103 -16.034 17.260 11.887 1.00 0.00 O ATOM 0 H GLY A 103 -17.193 14.331 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.613 16.902 11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.864 15.946 12.804 1.00 0.00 H new TER 1476 GLY A 103