USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1093 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 40 GLN : amide:sc= -1.89 K(o=-6.9,f=-8.9!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 158:sc= -2.62! (180deg=-4.36!) USER MOD Set 1.3: A 87 ASN : amide:sc= -2.44 X(o=-6.9,f=-7.3) USER MOD Set 2.1: A 55 MET CE :methyl 167:sc=-0.00326 (180deg=-0.224) USER MOD Set 2.2: A 96 CYS SG : rot 17:sc= -8.79! USER MOD Set 3.1: A 54 SER OG : rot 180:sc= -0.49! USER MOD Set 3.2: A 94 THR OG1 : rot -145:sc= -4.93! USER MOD Set 4.1: A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 163:sc= -0.44 (180deg=-1.15) USER MOD Set 5.2: A 102 SER OG : rot 180:sc= 0.014 USER MOD Set 6.1: A 18 CYS SG : rot 180:sc= -0.205 USER MOD Set 6.2: A 21 SER OG : rot -42:sc= -5.95! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.78 (180deg=-1.13!) USER MOD Single : A 2 ASN : amide:sc= -3.37! C(o=-3.4!,f=-5.1!) USER MOD Single : A 3 LYS NZ :NH3+ -146:sc= -0.272 (180deg=-1.19) USER MOD Single : A 7 GLN : amide:sc= -0.0045 X(o=-0.0045,f=0) USER MOD Single : A 13 SER OG : rot 114:sc= 0.662 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -109:sc= 1.71 USER MOD Single : A 31 CYS SG : rot 160:sc= -3.24 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 16:sc= 1.24 USER MOD Single : A 61 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.14!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -80:sc= 0.919 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -168:sc= -5.31! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -9.29! C(o=-9.3!,f=-9.3!) USER MOD Single : A 85 LYS NZ :NH3+ 149:sc= -3.53! (180deg=-4.26!) USER MOD Single : A 86 THR OG1 : rot -140:sc= 0.0194 USER MOD Single : A 89 ASN : amide:sc= -8.1! C(o=-8.1!,f=-26!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.108 F(o=-1.3,f=-0.11) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 130:sc= -0.254 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -2.36 F(o=-9.4!,f=-2.4) USER MOD Single : A 119 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.515) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -6.19! C(o=-6.2!,f=-11!) USER MOD Single : A 126 HIS : no HE2:sc= -0.207! C(o=-0.21!,f=-6.3!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 163:sc= -0.228 USER MOD Single : A 131 ASN :FLIP amide:sc= -3.33! C(o=-4!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.383 17.584 -14.383 1.00 0.00 N ATOM 2 CA MET A 1 1.001 16.177 -14.396 1.00 0.00 C ATOM 3 C MET A 1 1.541 15.463 -13.161 1.00 0.00 C ATOM 4 O MET A 1 1.690 16.068 -12.100 1.00 0.00 O ATOM 5 CB MET A 1 1.542 15.500 -15.658 1.00 0.00 C ATOM 6 CG MET A 1 1.902 16.565 -16.695 1.00 0.00 C ATOM 7 SD MET A 1 2.515 15.761 -18.197 1.00 0.00 S ATOM 8 CE MET A 1 3.553 17.124 -18.778 1.00 0.00 C ATOM 0 H1 MET A 1 0.923 18.076 -15.176 1.00 0.00 H new ATOM 0 H2 MET A 1 1.083 18.017 -13.486 1.00 0.00 H new ATOM 0 H3 MET A 1 2.416 17.664 -14.478 1.00 0.00 H new ATOM 0 HA MET A 1 -0.087 16.116 -14.390 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.421 14.903 -15.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.796 14.818 -16.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.028 17.173 -16.926 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.661 17.237 -16.294 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.037 16.840 -19.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.935 18.007 -18.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.312 17.348 -18.029 1.00 0.00 H new ATOM 18 N ASN A 2 1.832 14.175 -13.307 1.00 0.00 N ATOM 19 CA ASN A 2 2.355 13.392 -12.194 1.00 0.00 C ATOM 20 C ASN A 2 2.657 11.964 -12.637 1.00 0.00 C ATOM 21 O ASN A 2 2.616 11.650 -13.826 1.00 0.00 O ATOM 22 CB ASN A 2 1.339 13.370 -11.049 1.00 0.00 C ATOM 23 CG ASN A 2 1.993 12.825 -9.784 1.00 0.00 C ATOM 24 OD1 ASN A 2 2.913 13.440 -9.245 1.00 0.00 O ATOM 25 ND2 ASN A 2 1.571 11.700 -9.276 1.00 0.00 N ATOM 0 H ASN A 2 1.716 13.655 -14.177 1.00 0.00 H new ATOM 0 HA ASN A 2 3.280 13.856 -11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.960 14.376 -10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.484 12.752 -11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.004 11.328 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.808 11.192 -9.724 1.00 0.00 H new ATOM 32 N LYS A 3 2.962 11.104 -11.670 1.00 0.00 N ATOM 33 CA LYS A 3 3.271 9.710 -11.969 1.00 0.00 C ATOM 34 C LYS A 3 3.428 8.912 -10.679 1.00 0.00 C ATOM 35 O LYS A 3 3.096 7.728 -10.625 1.00 0.00 O ATOM 36 CB LYS A 3 4.560 9.624 -12.789 1.00 0.00 C ATOM 37 CG LYS A 3 4.841 8.163 -13.148 1.00 0.00 C ATOM 38 CD LYS A 3 5.548 8.095 -14.503 1.00 0.00 C ATOM 39 CE LYS A 3 6.365 6.804 -14.588 1.00 0.00 C ATOM 40 NZ LYS A 3 7.440 6.832 -13.558 1.00 0.00 N ATOM 0 H LYS A 3 3.002 11.345 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 3 2.448 9.288 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.467 10.221 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.393 10.036 -12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.461 7.702 -12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.908 7.601 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.815 8.128 -15.309 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.200 8.959 -14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.719 5.940 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.801 6.701 -15.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.283 6.344 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.680 7.819 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.108 6.352 -12.697 1.00 0.00 H new ATOM 54 N GLU A 4 3.933 9.570 -9.641 1.00 0.00 N ATOM 55 CA GLU A 4 4.128 8.915 -8.351 1.00 0.00 C ATOM 56 C GLU A 4 2.794 8.756 -7.625 1.00 0.00 C ATOM 57 O GLU A 4 1.920 9.617 -7.722 1.00 0.00 O ATOM 58 CB GLU A 4 5.087 9.742 -7.492 1.00 0.00 C ATOM 59 CG GLU A 4 6.527 9.482 -7.941 1.00 0.00 C ATOM 60 CD GLU A 4 7.402 10.684 -7.600 1.00 0.00 C ATOM 61 OE1 GLU A 4 7.367 11.647 -8.349 1.00 0.00 O ATOM 62 OE2 GLU A 4 8.092 10.625 -6.596 1.00 0.00 O ATOM 0 H GLU A 4 4.213 10.550 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 4 4.553 7.926 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.852 10.802 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.969 9.479 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.914 8.589 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.554 9.294 -9.014 1.00 0.00 H new ATOM 69 N LEU A 5 2.640 7.648 -6.905 1.00 0.00 N ATOM 70 CA LEU A 5 1.404 7.390 -6.177 1.00 0.00 C ATOM 71 C LEU A 5 1.078 8.546 -5.239 1.00 0.00 C ATOM 72 O LEU A 5 -0.068 8.719 -4.827 1.00 0.00 O ATOM 73 CB LEU A 5 1.526 6.097 -5.363 1.00 0.00 C ATOM 74 CG LEU A 5 0.388 5.128 -5.713 1.00 0.00 C ATOM 75 CD1 LEU A 5 -0.952 5.863 -5.753 1.00 0.00 C ATOM 76 CD2 LEU A 5 0.661 4.486 -7.075 1.00 0.00 C ATOM 0 H LEU A 5 3.349 6.921 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 5 0.600 7.286 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.488 5.624 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.500 6.328 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 5 0.340 4.356 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.746 5.159 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.153 6.306 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.914 6.649 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.148 3.798 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.723 5.262 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.603 3.939 -7.037 1.00 0.00 H new ATOM 88 N LEU A 6 2.081 9.347 -4.894 1.00 0.00 N ATOM 89 CA LEU A 6 1.837 10.470 -4.000 1.00 0.00 C ATOM 90 C LEU A 6 0.684 11.318 -4.516 1.00 0.00 C ATOM 91 O LEU A 6 0.387 12.373 -3.959 1.00 0.00 O ATOM 92 CB LEU A 6 3.079 11.346 -3.858 1.00 0.00 C ATOM 93 CG LEU A 6 3.546 11.805 -5.244 1.00 0.00 C ATOM 94 CD1 LEU A 6 2.691 12.980 -5.727 1.00 0.00 C ATOM 95 CD2 LEU A 6 5.012 12.241 -5.169 1.00 0.00 C ATOM 0 H LEU A 6 3.045 9.244 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 6 1.583 10.061 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.857 12.211 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.874 10.790 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 6 3.442 10.977 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.032 13.297 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.648 12.670 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.784 13.810 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.345 12.568 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.111 13.064 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.625 11.402 -4.838 1.00 0.00 H new ATOM 107 N GLN A 7 0.022 10.852 -5.573 1.00 0.00 N ATOM 108 CA GLN A 7 -1.099 11.587 -6.118 1.00 0.00 C ATOM 109 C GLN A 7 -2.193 11.640 -5.066 1.00 0.00 C ATOM 110 O GLN A 7 -3.145 12.413 -5.174 1.00 0.00 O ATOM 111 CB GLN A 7 -1.624 10.906 -7.383 1.00 0.00 C ATOM 112 CG GLN A 7 -2.115 11.971 -8.365 1.00 0.00 C ATOM 113 CD GLN A 7 -3.316 11.444 -9.143 1.00 0.00 C ATOM 114 OE1 GLN A 7 -3.209 11.164 -10.336 1.00 0.00 O ATOM 115 NE2 GLN A 7 -4.458 11.291 -8.532 1.00 0.00 N ATOM 0 H GLN A 7 0.243 9.982 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.782 12.595 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.836 10.308 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.437 10.224 -7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.389 12.877 -7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.314 12.240 -9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.542 11.524 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.267 10.938 -9.043 1.00 0.00 H new ATOM 124 N LEU A 8 -2.027 10.821 -4.032 1.00 0.00 N ATOM 125 CA LEU A 8 -2.982 10.785 -2.937 1.00 0.00 C ATOM 126 C LEU A 8 -3.067 12.162 -2.265 1.00 0.00 C ATOM 127 O LEU A 8 -2.100 12.917 -2.258 1.00 0.00 O ATOM 128 CB LEU A 8 -2.549 9.733 -1.914 1.00 0.00 C ATOM 129 CG LEU A 8 -2.515 8.355 -2.577 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.346 7.546 -2.013 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.827 7.618 -2.299 1.00 0.00 C ATOM 0 H LEU A 8 -1.242 10.177 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.965 10.524 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.565 9.981 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.240 9.725 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.389 8.475 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.322 6.564 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.411 8.069 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.471 7.428 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.800 6.637 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.956 7.499 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.660 8.193 -2.703 1.00 0.00 H new ATOM 143 N PRO A 9 -4.204 12.489 -1.711 1.00 0.00 N ATOM 144 CA PRO A 9 -4.448 13.796 -1.022 1.00 0.00 C ATOM 145 C PRO A 9 -3.309 14.273 -0.109 1.00 0.00 C ATOM 146 O PRO A 9 -3.298 15.434 0.301 1.00 0.00 O ATOM 147 CB PRO A 9 -5.698 13.530 -0.188 1.00 0.00 C ATOM 148 CG PRO A 9 -6.439 12.450 -0.902 1.00 0.00 C ATOM 149 CD PRO A 9 -5.408 11.639 -1.690 1.00 0.00 C ATOM 0 HA PRO A 9 -4.541 14.593 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.435 13.221 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.307 14.429 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.969 11.814 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.188 12.874 -1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.208 10.680 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.760 11.425 -2.699 1.00 0.00 H new ATOM 157 N LEU A 10 -2.386 13.387 0.258 1.00 0.00 N ATOM 158 CA LEU A 10 -1.315 13.785 1.179 1.00 0.00 C ATOM 159 C LEU A 10 -0.568 15.015 0.695 1.00 0.00 C ATOM 160 O LEU A 10 -0.339 15.948 1.465 1.00 0.00 O ATOM 161 CB LEU A 10 -0.286 12.681 1.423 1.00 0.00 C ATOM 162 CG LEU A 10 -0.349 11.593 0.351 1.00 0.00 C ATOM 163 CD1 LEU A 10 0.779 11.846 -0.646 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.186 10.216 1.015 1.00 0.00 C ATOM 0 H LEU A 10 -2.353 12.417 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.832 14.003 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.714 13.115 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.458 12.235 2.403 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.307 11.613 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.756 11.082 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.650 12.829 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.737 11.808 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.230 9.437 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.776 10.170 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.988 10.063 1.737 1.00 0.00 H new ATOM 176 N PHE A 11 -0.169 15.015 -0.564 1.00 0.00 N ATOM 177 CA PHE A 11 0.571 16.153 -1.083 1.00 0.00 C ATOM 178 C PHE A 11 -0.354 17.148 -1.785 1.00 0.00 C ATOM 179 O PHE A 11 -0.173 18.361 -1.675 1.00 0.00 O ATOM 180 CB PHE A 11 1.667 15.711 -2.049 1.00 0.00 C ATOM 181 CG PHE A 11 1.054 15.555 -3.411 1.00 0.00 C ATOM 182 CD1 PHE A 11 -0.052 14.742 -3.532 1.00 0.00 C ATOM 183 CD2 PHE A 11 1.558 16.233 -4.529 1.00 0.00 C ATOM 184 CE1 PHE A 11 -0.681 14.582 -4.770 1.00 0.00 C ATOM 185 CE2 PHE A 11 0.939 16.076 -5.774 1.00 0.00 C ATOM 186 CZ PHE A 11 -0.183 15.248 -5.896 1.00 0.00 C ATOM 0 H PHE A 11 -0.338 14.262 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 11 1.033 16.645 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.471 16.447 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.108 14.770 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.435 14.225 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.421 16.874 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.549 13.946 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.326 16.593 -6.640 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.663 15.123 -6.856 1.00 0.00 H new ATOM 196 N GLU A 12 -1.339 16.627 -2.515 1.00 0.00 N ATOM 197 CA GLU A 12 -2.275 17.480 -3.243 1.00 0.00 C ATOM 198 C GLU A 12 -2.946 18.470 -2.302 1.00 0.00 C ATOM 199 O GLU A 12 -3.133 19.638 -2.645 1.00 0.00 O ATOM 200 CB GLU A 12 -3.342 16.624 -3.924 1.00 0.00 C ATOM 201 CG GLU A 12 -4.349 17.530 -4.624 1.00 0.00 C ATOM 202 CD GLU A 12 -3.626 18.621 -5.409 1.00 0.00 C ATOM 203 OE1 GLU A 12 -3.240 18.356 -6.535 1.00 0.00 O ATOM 204 OE2 GLU A 12 -3.472 19.706 -4.872 1.00 0.00 O ATOM 0 H GLU A 12 -1.508 15.626 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.715 18.034 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.878 15.952 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.848 16.000 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.972 16.941 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.014 17.982 -3.888 1.00 0.00 H new ATOM 211 N SER A 13 -3.308 18.000 -1.117 1.00 0.00 N ATOM 212 CA SER A 13 -3.957 18.857 -0.138 1.00 0.00 C ATOM 213 C SER A 13 -2.913 19.617 0.671 1.00 0.00 C ATOM 214 O SER A 13 -3.245 20.348 1.602 1.00 0.00 O ATOM 215 CB SER A 13 -4.827 18.016 0.796 1.00 0.00 C ATOM 216 OG SER A 13 -5.201 16.816 0.130 1.00 0.00 O ATOM 0 H SER A 13 -3.164 17.037 -0.812 1.00 0.00 H new ATOM 0 HA SER A 13 -4.587 19.575 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.281 17.784 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.715 18.576 1.088 1.00 0.00 H new ATOM 0 HG SER A 13 -4.788 16.050 0.580 1.00 0.00 H new ATOM 222 N ALA A 14 -1.649 19.436 0.305 1.00 0.00 N ATOM 223 CA ALA A 14 -0.561 20.105 0.992 1.00 0.00 C ATOM 224 C ALA A 14 0.138 21.067 0.058 1.00 0.00 C ATOM 225 O ALA A 14 -0.088 21.051 -1.151 1.00 0.00 O ATOM 226 CB ALA A 14 0.465 19.076 1.453 1.00 0.00 C ATOM 0 H ALA A 14 -1.357 18.832 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.976 20.644 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.281 19.582 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.010 18.368 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.858 18.542 0.588 1.00 0.00 H new ATOM 232 N SER A 15 1.024 21.870 0.617 1.00 0.00 N ATOM 233 CA SER A 15 1.788 22.788 -0.195 1.00 0.00 C ATOM 234 C SER A 15 2.821 21.979 -0.960 1.00 0.00 C ATOM 235 O SER A 15 3.326 20.965 -0.460 1.00 0.00 O ATOM 236 CB SER A 15 2.483 23.826 0.685 1.00 0.00 C ATOM 237 OG SER A 15 2.869 24.937 -0.115 1.00 0.00 O ATOM 0 H SER A 15 1.228 21.903 1.616 1.00 0.00 H new ATOM 0 HA SER A 15 1.130 23.319 -0.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.814 24.152 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.358 23.386 1.164 1.00 0.00 H new ATOM 0 HG SER A 15 3.314 25.606 0.447 1.00 0.00 H new ATOM 243 N ARG A 16 3.142 22.397 -2.166 1.00 0.00 N ATOM 244 CA ARG A 16 4.117 21.650 -2.927 1.00 0.00 C ATOM 245 C ARG A 16 5.290 21.339 -2.018 1.00 0.00 C ATOM 246 O ARG A 16 6.070 20.421 -2.273 1.00 0.00 O ATOM 247 CB ARG A 16 4.583 22.446 -4.146 1.00 0.00 C ATOM 248 CG ARG A 16 3.406 22.663 -5.098 1.00 0.00 C ATOM 249 CD ARG A 16 3.063 21.346 -5.794 1.00 0.00 C ATOM 250 NE ARG A 16 2.320 21.603 -7.023 1.00 0.00 N ATOM 251 CZ ARG A 16 0.999 21.747 -7.011 1.00 0.00 C ATOM 252 NH1 ARG A 16 0.341 21.657 -5.887 1.00 0.00 N ATOM 253 NH2 ARG A 16 0.357 21.977 -8.124 1.00 0.00 N ATOM 0 H ARG A 16 2.757 23.221 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 16 3.669 20.726 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.991 23.407 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.384 21.912 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.541 23.031 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.658 23.423 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.977 20.798 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.472 20.718 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 16 2.824 21.673 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.841 21.476 -5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.673 21.768 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.869 22.046 -9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.657 22.087 -8.114 1.00 0.00 H new ATOM 267 N GLY A 17 5.389 22.107 -0.936 1.00 0.00 N ATOM 268 CA GLY A 17 6.448 21.904 0.035 1.00 0.00 C ATOM 269 C GLY A 17 6.370 20.490 0.593 1.00 0.00 C ATOM 270 O GLY A 17 7.392 19.833 0.774 1.00 0.00 O ATOM 0 H GLY A 17 4.750 22.871 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.419 22.068 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.357 22.630 0.843 1.00 0.00 H new ATOM 274 N CYS A 18 5.150 20.009 0.837 1.00 0.00 N ATOM 275 CA CYS A 18 4.978 18.654 1.338 1.00 0.00 C ATOM 276 C CYS A 18 5.342 17.680 0.242 1.00 0.00 C ATOM 277 O CYS A 18 5.833 16.587 0.500 1.00 0.00 O ATOM 278 CB CYS A 18 3.533 18.417 1.773 1.00 0.00 C ATOM 279 SG CYS A 18 3.516 17.612 3.395 1.00 0.00 S ATOM 0 H CYS A 18 4.284 20.530 0.698 1.00 0.00 H new ATOM 0 HA CYS A 18 5.625 18.509 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.996 19.364 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.019 17.795 1.041 1.00 0.00 H new ATOM 0 HG CYS A 18 2.287 17.412 3.767 1.00 0.00 H new ATOM 285 N LEU A 19 5.112 18.085 -0.996 1.00 0.00 N ATOM 286 CA LEU A 19 5.454 17.218 -2.106 1.00 0.00 C ATOM 287 C LEU A 19 6.967 17.052 -2.148 1.00 0.00 C ATOM 288 O LEU A 19 7.475 15.957 -2.379 1.00 0.00 O ATOM 289 CB LEU A 19 4.935 17.798 -3.421 1.00 0.00 C ATOM 290 CG LEU A 19 5.172 16.802 -4.564 1.00 0.00 C ATOM 291 CD1 LEU A 19 4.687 15.401 -4.164 1.00 0.00 C ATOM 292 CD2 LEU A 19 4.411 17.268 -5.810 1.00 0.00 C ATOM 0 H LEU A 19 4.702 18.983 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 19 4.985 16.244 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.871 18.020 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.440 18.739 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 19 6.240 16.757 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.862 14.707 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.233 15.065 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.621 15.435 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.578 16.562 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.345 17.320 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.768 18.254 -6.107 1.00 0.00 H new ATOM 304 N ARG A 20 7.679 18.146 -1.877 1.00 0.00 N ATOM 305 CA ARG A 20 9.136 18.109 -1.838 1.00 0.00 C ATOM 306 C ARG A 20 9.571 17.345 -0.593 1.00 0.00 C ATOM 307 O ARG A 20 10.582 16.647 -0.590 1.00 0.00 O ATOM 308 CB ARG A 20 9.698 19.539 -1.819 1.00 0.00 C ATOM 309 CG ARG A 20 10.980 19.598 -0.992 1.00 0.00 C ATOM 310 CD ARG A 20 10.641 19.539 0.501 1.00 0.00 C ATOM 311 NE ARG A 20 11.238 20.669 1.201 1.00 0.00 N ATOM 312 CZ ARG A 20 11.014 20.868 2.497 1.00 0.00 C ATOM 313 NH1 ARG A 20 10.251 20.045 3.161 1.00 0.00 N ATOM 314 NH2 ARG A 20 11.562 21.885 3.106 1.00 0.00 N ATOM 0 H ARG A 20 7.272 19.061 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 20 9.521 17.606 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.900 19.871 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.958 20.222 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.633 18.767 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.524 20.516 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.559 19.549 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.006 18.605 0.927 1.00 0.00 H new ATOM 0 HE ARG A 20 11.837 21.317 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.826 19.248 2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.079 20.198 4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.162 22.527 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.390 22.037 4.100 1.00 0.00 H new ATOM 328 N SER A 21 8.764 17.473 0.455 1.00 0.00 N ATOM 329 CA SER A 21 9.008 16.788 1.718 1.00 0.00 C ATOM 330 C SER A 21 8.949 15.278 1.492 1.00 0.00 C ATOM 331 O SER A 21 9.904 14.548 1.794 1.00 0.00 O ATOM 332 CB SER A 21 7.940 17.261 2.709 1.00 0.00 C ATOM 333 OG SER A 21 6.721 16.580 2.457 1.00 0.00 O ATOM 0 H SER A 21 7.925 18.053 0.452 1.00 0.00 H new ATOM 0 HA SER A 21 9.995 17.017 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.269 17.072 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.793 18.337 2.615 1.00 0.00 H new ATOM 0 HG SER A 21 6.569 16.529 1.490 1.00 0.00 H new ATOM 339 N LEU A 22 7.857 14.817 0.914 1.00 0.00 N ATOM 340 CA LEU A 22 7.717 13.403 0.627 1.00 0.00 C ATOM 341 C LEU A 22 8.779 12.958 -0.366 1.00 0.00 C ATOM 342 O LEU A 22 9.510 11.996 -0.125 1.00 0.00 O ATOM 343 CB LEU A 22 6.347 13.125 0.027 1.00 0.00 C ATOM 344 CG LEU A 22 5.570 12.200 0.947 1.00 0.00 C ATOM 345 CD1 LEU A 22 5.217 12.932 2.233 1.00 0.00 C ATOM 346 CD2 LEU A 22 4.296 11.772 0.252 1.00 0.00 C ATOM 0 H LEU A 22 7.062 15.393 0.637 1.00 0.00 H new ATOM 0 HA LEU A 22 7.833 12.853 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.803 14.059 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.455 12.670 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 22 6.178 11.327 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.660 12.265 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.132 13.252 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.607 13.804 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.731 11.107 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.695 12.651 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.544 11.249 -0.672 1.00 0.00 H new ATOM 358 N SER A 23 8.844 13.650 -1.498 1.00 0.00 N ATOM 359 CA SER A 23 9.804 13.284 -2.517 1.00 0.00 C ATOM 360 C SER A 23 11.209 13.264 -1.947 1.00 0.00 C ATOM 361 O SER A 23 12.048 12.475 -2.379 1.00 0.00 O ATOM 362 CB SER A 23 9.706 14.195 -3.731 1.00 0.00 C ATOM 363 OG SER A 23 11.015 14.514 -4.188 1.00 0.00 O ATOM 0 H SER A 23 8.254 14.450 -1.725 1.00 0.00 H new ATOM 0 HA SER A 23 9.565 12.276 -2.856 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.142 13.704 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.166 15.106 -3.473 1.00 0.00 H new ATOM 0 HG SER A 23 10.954 15.100 -4.971 1.00 0.00 H new ATOM 369 N LEU A 24 11.456 14.101 -0.951 1.00 0.00 N ATOM 370 CA LEU A 24 12.757 14.113 -0.319 1.00 0.00 C ATOM 371 C LEU A 24 13.051 12.717 0.208 1.00 0.00 C ATOM 372 O LEU A 24 14.191 12.253 0.163 1.00 0.00 O ATOM 373 CB LEU A 24 12.780 15.123 0.822 1.00 0.00 C ATOM 374 CG LEU A 24 13.808 16.214 0.519 1.00 0.00 C ATOM 375 CD1 LEU A 24 15.221 15.632 0.625 1.00 0.00 C ATOM 376 CD2 LEU A 24 13.590 16.768 -0.893 1.00 0.00 C ATOM 0 H LEU A 24 10.784 14.768 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 24 13.518 14.403 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.792 15.565 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.029 14.624 1.758 1.00 0.00 H new ATOM 0 HG LEU A 24 13.689 17.022 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.952 16.411 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.383 15.252 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.334 14.819 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.328 17.544 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.699 15.963 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.588 17.191 -0.967 1.00 0.00 H new ATOM 388 N ILE A 25 12.007 12.042 0.697 1.00 0.00 N ATOM 389 CA ILE A 25 12.176 10.684 1.215 1.00 0.00 C ATOM 390 C ILE A 25 11.434 9.644 0.374 1.00 0.00 C ATOM 391 O ILE A 25 11.126 8.557 0.862 1.00 0.00 O ATOM 392 CB ILE A 25 11.688 10.582 2.655 1.00 0.00 C ATOM 393 CG1 ILE A 25 12.311 9.336 3.290 1.00 0.00 C ATOM 394 CG2 ILE A 25 10.178 10.412 2.663 1.00 0.00 C ATOM 395 CD1 ILE A 25 13.268 9.738 4.414 1.00 0.00 C ATOM 0 H ILE A 25 11.055 12.405 0.745 1.00 0.00 H new ATOM 0 HA ILE A 25 13.244 10.474 1.167 1.00 0.00 H new ATOM 0 HB ILE A 25 11.967 11.481 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.527 8.689 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.847 8.763 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.826 10.339 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.713 11.271 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.911 9.504 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.705 8.843 4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.061 10.366 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.721 10.291 5.177 1.00 0.00 H new ATOM 407 N ILE A 26 11.143 9.970 -0.880 1.00 0.00 N ATOM 408 CA ILE A 26 10.440 9.057 -1.752 1.00 0.00 C ATOM 409 C ILE A 26 11.258 7.785 -1.973 1.00 0.00 C ATOM 410 O ILE A 26 12.455 7.852 -2.250 1.00 0.00 O ATOM 411 CB ILE A 26 10.194 9.769 -3.090 1.00 0.00 C ATOM 412 CG1 ILE A 26 8.718 10.136 -3.230 1.00 0.00 C ATOM 413 CG2 ILE A 26 10.596 8.881 -4.251 1.00 0.00 C ATOM 414 CD1 ILE A 26 7.917 8.893 -3.549 1.00 0.00 C ATOM 0 H ILE A 26 11.386 10.863 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 26 9.492 8.767 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 26 10.800 10.675 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.356 10.588 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.590 10.877 -4.019 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.414 9.404 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.655 8.636 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.009 7.963 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.864 9.155 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.274 8.460 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.036 8.167 -2.745 1.00 0.00 H new ATOM 426 N LYS A 27 10.603 6.631 -1.881 1.00 0.00 N ATOM 427 CA LYS A 27 11.305 5.368 -2.112 1.00 0.00 C ATOM 428 C LYS A 27 10.666 4.605 -3.270 1.00 0.00 C ATOM 429 O LYS A 27 9.465 4.724 -3.516 1.00 0.00 O ATOM 430 CB LYS A 27 11.311 4.502 -0.848 1.00 0.00 C ATOM 431 CG LYS A 27 11.795 5.335 0.341 1.00 0.00 C ATOM 432 CD LYS A 27 13.304 5.142 0.514 1.00 0.00 C ATOM 433 CE LYS A 27 13.834 6.138 1.546 1.00 0.00 C ATOM 434 NZ LYS A 27 12.872 6.235 2.681 1.00 0.00 N ATOM 0 H LYS A 27 9.613 6.541 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 27 12.338 5.601 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.310 4.118 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.961 3.639 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.568 6.389 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.272 5.033 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.516 4.122 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.811 5.287 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.810 5.817 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.971 7.117 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.343 6.671 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.059 6.819 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.542 5.283 2.939 1.00 0.00 H new ATOM 448 N THR A 28 11.475 3.829 -3.988 1.00 0.00 N ATOM 449 CA THR A 28 10.969 3.062 -5.124 1.00 0.00 C ATOM 450 C THR A 28 11.306 1.579 -4.981 1.00 0.00 C ATOM 451 O THR A 28 12.452 1.212 -4.720 1.00 0.00 O ATOM 452 CB THR A 28 11.574 3.599 -6.424 1.00 0.00 C ATOM 453 OG1 THR A 28 11.470 2.607 -7.437 1.00 0.00 O ATOM 454 CG2 THR A 28 13.046 3.947 -6.198 1.00 0.00 C ATOM 0 H THR A 28 12.472 3.715 -3.807 1.00 0.00 H new ATOM 0 HA THR A 28 9.885 3.169 -5.149 1.00 0.00 H new ATOM 0 HB THR A 28 11.035 4.494 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.855 2.949 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.476 4.329 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.125 4.707 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.588 3.053 -5.888 1.00 0.00 H new ATOM 462 N SER A 29 10.297 0.731 -5.164 1.00 0.00 N ATOM 463 CA SER A 29 10.489 -0.714 -5.064 1.00 0.00 C ATOM 464 C SER A 29 9.984 -1.400 -6.334 1.00 0.00 C ATOM 465 O SER A 29 8.922 -1.059 -6.853 1.00 0.00 O ATOM 466 CB SER A 29 9.737 -1.260 -3.848 1.00 0.00 C ATOM 467 OG SER A 29 8.531 -0.528 -3.677 1.00 0.00 O ATOM 0 H SER A 29 9.342 1.017 -5.381 1.00 0.00 H new ATOM 0 HA SER A 29 11.553 -0.919 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.517 -2.319 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.356 -1.177 -2.955 1.00 0.00 H new ATOM 0 HG SER A 29 8.606 0.045 -2.886 1.00 0.00 H new ATOM 473 N PHE A 30 10.756 -2.360 -6.839 1.00 0.00 N ATOM 474 CA PHE A 30 10.370 -3.070 -8.057 1.00 0.00 C ATOM 475 C PHE A 30 10.463 -4.583 -7.872 1.00 0.00 C ATOM 476 O PHE A 30 11.242 -5.072 -7.053 1.00 0.00 O ATOM 477 CB PHE A 30 11.270 -2.637 -9.217 1.00 0.00 C ATOM 478 CG PHE A 30 12.543 -3.448 -9.204 1.00 0.00 C ATOM 479 CD1 PHE A 30 12.547 -4.757 -9.700 1.00 0.00 C ATOM 480 CD2 PHE A 30 13.721 -2.888 -8.698 1.00 0.00 C ATOM 481 CE1 PHE A 30 13.730 -5.506 -9.690 1.00 0.00 C ATOM 482 CE2 PHE A 30 14.905 -3.637 -8.687 1.00 0.00 C ATOM 483 CZ PHE A 30 14.909 -4.946 -9.183 1.00 0.00 C ATOM 0 H PHE A 30 11.641 -2.661 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 30 9.333 -2.818 -8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.749 -2.775 -10.165 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.503 -1.576 -9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.638 -5.189 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.718 -1.878 -8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.733 -6.516 -10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.814 -3.205 -8.296 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.821 -5.524 -9.175 1.00 0.00 H new ATOM 493 N CYS A 31 9.664 -5.317 -8.646 1.00 0.00 N ATOM 494 CA CYS A 31 9.661 -6.775 -8.572 1.00 0.00 C ATOM 495 C CYS A 31 9.615 -7.381 -9.972 1.00 0.00 C ATOM 496 O CYS A 31 9.116 -6.763 -10.913 1.00 0.00 O ATOM 497 CB CYS A 31 8.460 -7.270 -7.763 1.00 0.00 C ATOM 498 SG CYS A 31 8.499 -6.532 -6.111 1.00 0.00 S ATOM 0 H CYS A 31 9.014 -4.927 -9.328 1.00 0.00 H new ATOM 0 HA CYS A 31 10.579 -7.089 -8.076 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.532 -7.004 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.482 -8.357 -7.688 1.00 0.00 H new ATOM 0 HG CYS A 31 7.313 -6.591 -5.581 1.00 0.00 H new ATOM 504 N ALA A 32 10.150 -8.588 -10.101 1.00 0.00 N ATOM 505 CA ALA A 32 10.186 -9.275 -11.387 1.00 0.00 C ATOM 506 C ALA A 32 9.265 -10.497 -11.382 1.00 0.00 C ATOM 507 O ALA A 32 8.756 -10.890 -10.333 1.00 0.00 O ATOM 508 CB ALA A 32 11.618 -9.727 -11.665 1.00 0.00 C ATOM 0 H ALA A 32 10.565 -9.112 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 32 9.843 -8.588 -12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.657 -10.242 -12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.275 -8.858 -11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.945 -10.404 -10.876 1.00 0.00 H new ATOM 514 N PRO A 33 9.059 -11.116 -12.522 1.00 0.00 N ATOM 515 CA PRO A 33 8.204 -12.334 -12.618 1.00 0.00 C ATOM 516 C PRO A 33 8.799 -13.476 -11.796 1.00 0.00 C ATOM 517 O PRO A 33 9.973 -13.813 -11.954 1.00 0.00 O ATOM 518 CB PRO A 33 8.196 -12.682 -14.115 1.00 0.00 C ATOM 519 CG PRO A 33 8.709 -11.471 -14.822 1.00 0.00 C ATOM 520 CD PRO A 33 9.608 -10.733 -13.832 1.00 0.00 C ATOM 0 HA PRO A 33 7.200 -12.169 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.826 -13.548 -14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.190 -12.934 -14.452 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.266 -11.752 -15.716 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.886 -10.834 -15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.651 -11.034 -13.934 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.572 -9.654 -13.983 1.00 0.00 H new ATOM 528 N GLY A 34 7.999 -14.055 -10.909 1.00 0.00 N ATOM 529 CA GLY A 34 8.485 -15.139 -10.066 1.00 0.00 C ATOM 530 C GLY A 34 9.463 -14.603 -9.024 1.00 0.00 C ATOM 531 O GLY A 34 10.057 -15.367 -8.262 1.00 0.00 O ATOM 0 H GLY A 34 7.024 -13.797 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.646 -15.627 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.975 -15.894 -10.680 1.00 0.00 H new ATOM 535 N GLU A 35 9.636 -13.282 -9.009 1.00 0.00 N ATOM 536 CA GLU A 35 10.559 -12.646 -8.070 1.00 0.00 C ATOM 537 C GLU A 35 9.950 -12.558 -6.672 1.00 0.00 C ATOM 538 O GLU A 35 8.808 -12.147 -6.511 1.00 0.00 O ATOM 539 CB GLU A 35 10.927 -11.256 -8.573 1.00 0.00 C ATOM 540 CG GLU A 35 12.380 -10.962 -8.224 1.00 0.00 C ATOM 541 CD GLU A 35 13.309 -11.589 -9.259 1.00 0.00 C ATOM 542 OE1 GLU A 35 13.409 -12.804 -9.278 1.00 0.00 O ATOM 543 OE2 GLU A 35 13.910 -10.843 -10.016 1.00 0.00 O ATOM 0 H GLU A 35 9.153 -12.635 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 35 11.459 -13.257 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.781 -11.197 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.274 -10.509 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.541 -9.885 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.610 -11.354 -7.233 1.00 0.00 H new ATOM 550 N PHE A 36 10.718 -12.964 -5.662 1.00 0.00 N ATOM 551 CA PHE A 36 10.231 -12.945 -4.283 1.00 0.00 C ATOM 552 C PHE A 36 10.602 -11.651 -3.560 1.00 0.00 C ATOM 553 O PHE A 36 11.778 -11.371 -3.331 1.00 0.00 O ATOM 554 CB PHE A 36 10.814 -14.133 -3.515 1.00 0.00 C ATOM 555 CG PHE A 36 9.848 -15.291 -3.569 1.00 0.00 C ATOM 556 CD1 PHE A 36 8.707 -15.289 -2.758 1.00 0.00 C ATOM 557 CD2 PHE A 36 10.094 -16.367 -4.428 1.00 0.00 C ATOM 558 CE1 PHE A 36 7.811 -16.364 -2.808 1.00 0.00 C ATOM 559 CE2 PHE A 36 9.199 -17.442 -4.478 1.00 0.00 C ATOM 560 CZ PHE A 36 8.057 -17.441 -3.668 1.00 0.00 C ATOM 0 H PHE A 36 11.672 -13.307 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 36 9.144 -13.010 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.772 -14.424 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.004 -13.852 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.518 -14.459 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.975 -16.368 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.930 -16.362 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.389 -18.273 -5.142 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.366 -18.270 -3.707 1.00 0.00 H new ATOM 570 N LEU A 37 9.584 -10.875 -3.187 1.00 0.00 N ATOM 571 CA LEU A 37 9.808 -9.625 -2.470 1.00 0.00 C ATOM 572 C LEU A 37 9.732 -9.852 -0.958 1.00 0.00 C ATOM 573 O LEU A 37 10.607 -9.405 -0.216 1.00 0.00 O ATOM 574 CB LEU A 37 8.774 -8.578 -2.891 1.00 0.00 C ATOM 575 CG LEU A 37 8.926 -7.323 -2.027 1.00 0.00 C ATOM 576 CD1 LEU A 37 9.151 -6.105 -2.924 1.00 0.00 C ATOM 577 CD2 LEU A 37 7.653 -7.118 -1.204 1.00 0.00 C ATOM 0 H LEU A 37 8.604 -11.090 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 37 10.804 -9.261 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.907 -8.325 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.768 -8.984 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 37 9.780 -7.444 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.259 -5.213 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.056 -6.250 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.298 -5.983 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.758 -6.225 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.802 -6.998 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.491 -7.984 -0.563 1.00 0.00 H new ATOM 589 N ILE A 38 8.690 -10.556 -0.503 1.00 0.00 N ATOM 590 CA ILE A 38 8.538 -10.833 0.917 1.00 0.00 C ATOM 591 C ILE A 38 8.581 -12.329 1.171 1.00 0.00 C ATOM 592 O ILE A 38 8.131 -13.128 0.354 1.00 0.00 O ATOM 593 CB ILE A 38 7.225 -10.241 1.463 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.475 -9.483 2.767 1.00 0.00 C ATOM 595 CG2 ILE A 38 6.244 -11.356 1.771 1.00 0.00 C ATOM 596 CD1 ILE A 38 7.276 -7.990 2.514 1.00 0.00 C ATOM 0 H ILE A 38 7.951 -10.937 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 38 9.368 -10.359 1.441 1.00 0.00 H new ATOM 0 HB ILE A 38 6.826 -9.567 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.791 -9.829 3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.486 -9.673 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.318 -10.930 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.034 -11.917 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.675 -12.024 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.452 -7.438 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.978 -7.654 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.256 -7.812 2.173 1.00 0.00 H new ATOM 608 N ARG A 39 9.122 -12.696 2.314 1.00 0.00 N ATOM 609 CA ARG A 39 9.209 -14.093 2.678 1.00 0.00 C ATOM 610 C ARG A 39 8.688 -14.296 4.096 1.00 0.00 C ATOM 611 O ARG A 39 9.340 -13.911 5.067 1.00 0.00 O ATOM 612 CB ARG A 39 10.653 -14.543 2.573 1.00 0.00 C ATOM 613 CG ARG A 39 10.774 -16.004 2.978 1.00 0.00 C ATOM 614 CD ARG A 39 10.064 -16.866 1.940 1.00 0.00 C ATOM 615 NE ARG A 39 10.930 -17.958 1.510 1.00 0.00 N ATOM 616 CZ ARG A 39 11.849 -17.776 0.567 1.00 0.00 C ATOM 617 NH1 ARG A 39 11.992 -16.604 0.013 1.00 0.00 N ATOM 618 NH2 ARG A 39 12.608 -18.770 0.197 1.00 0.00 N ATOM 0 H ARG A 39 9.506 -12.050 3.003 1.00 0.00 H new ATOM 0 HA ARG A 39 8.597 -14.689 2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.011 -14.409 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.282 -13.926 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.824 -16.289 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.333 -16.160 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.142 -17.268 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.783 -16.256 1.081 1.00 0.00 H new ATOM 0 HE ARG A 39 10.829 -18.877 1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.399 -15.827 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.697 -16.465 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.496 -19.686 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.313 -18.631 -0.527 1.00 0.00 H new ATOM 632 N GLN A 40 7.507 -14.893 4.192 1.00 0.00 N ATOM 633 CA GLN A 40 6.861 -15.152 5.481 1.00 0.00 C ATOM 634 C GLN A 40 7.783 -14.818 6.649 1.00 0.00 C ATOM 635 O GLN A 40 8.907 -15.314 6.733 1.00 0.00 O ATOM 636 CB GLN A 40 6.437 -16.622 5.561 1.00 0.00 C ATOM 637 CG GLN A 40 6.389 -17.073 7.024 1.00 0.00 C ATOM 638 CD GLN A 40 5.507 -18.308 7.160 1.00 0.00 C ATOM 639 OE1 GLN A 40 4.409 -18.232 7.711 1.00 0.00 O ATOM 640 NE2 GLN A 40 5.926 -19.450 6.689 1.00 0.00 N ATOM 0 H GLN A 40 6.969 -15.211 3.386 1.00 0.00 H new ATOM 0 HA GLN A 40 5.984 -14.509 5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.458 -16.753 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.138 -17.242 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.396 -17.294 7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.001 -16.268 7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.836 -19.510 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.343 -20.283 6.777 1.00 0.00 H new ATOM 649 N GLY A 41 7.289 -13.976 7.548 1.00 0.00 N ATOM 650 CA GLY A 41 8.060 -13.573 8.717 1.00 0.00 C ATOM 651 C GLY A 41 8.847 -12.296 8.448 1.00 0.00 C ATOM 652 O GLY A 41 9.650 -11.869 9.277 1.00 0.00 O ATOM 0 H GLY A 41 6.360 -13.560 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.389 -13.418 9.562 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.745 -14.373 8.997 1.00 0.00 H new ATOM 656 N ASP A 42 8.617 -11.689 7.289 1.00 0.00 N ATOM 657 CA ASP A 42 9.321 -10.459 6.939 1.00 0.00 C ATOM 658 C ASP A 42 8.837 -9.304 7.808 1.00 0.00 C ATOM 659 O ASP A 42 8.002 -9.489 8.692 1.00 0.00 O ATOM 660 CB ASP A 42 9.103 -10.121 5.465 1.00 0.00 C ATOM 661 CG ASP A 42 10.179 -10.787 4.614 1.00 0.00 C ATOM 662 OD1 ASP A 42 10.445 -11.957 4.839 1.00 0.00 O ATOM 663 OD2 ASP A 42 10.722 -10.119 3.750 1.00 0.00 O ATOM 0 H ASP A 42 7.959 -12.022 6.584 1.00 0.00 H new ATOM 0 HA ASP A 42 10.386 -10.613 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.116 -10.458 5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.132 -9.041 5.323 1.00 0.00 H new ATOM 668 N ALA A 43 9.371 -8.115 7.554 1.00 0.00 N ATOM 669 CA ALA A 43 8.988 -6.941 8.327 1.00 0.00 C ATOM 670 C ALA A 43 8.426 -5.851 7.418 1.00 0.00 C ATOM 671 O ALA A 43 9.055 -5.462 6.434 1.00 0.00 O ATOM 672 CB ALA A 43 10.202 -6.399 9.082 1.00 0.00 C ATOM 0 H ALA A 43 10.064 -7.940 6.826 1.00 0.00 H new ATOM 0 HA ALA A 43 8.215 -7.236 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.910 -5.521 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.583 -7.166 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.980 -6.123 8.370 1.00 0.00 H new ATOM 678 N LEU A 44 7.239 -5.363 7.760 1.00 0.00 N ATOM 679 CA LEU A 44 6.591 -4.315 6.979 1.00 0.00 C ATOM 680 C LEU A 44 6.838 -2.948 7.610 1.00 0.00 C ATOM 681 O LEU A 44 6.415 -2.691 8.737 1.00 0.00 O ATOM 682 CB LEU A 44 5.089 -4.578 6.902 1.00 0.00 C ATOM 683 CG LEU A 44 4.546 -4.021 5.587 1.00 0.00 C ATOM 684 CD1 LEU A 44 4.342 -5.163 4.589 1.00 0.00 C ATOM 685 CD2 LEU A 44 3.213 -3.328 5.849 1.00 0.00 C ATOM 0 H LEU A 44 6.706 -5.675 8.572 1.00 0.00 H new ATOM 0 HA LEU A 44 7.013 -4.321 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.892 -5.648 6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.582 -4.109 7.746 1.00 0.00 H new ATOM 0 HG LEU A 44 5.256 -3.306 5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.955 -4.763 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.295 -5.660 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.631 -5.881 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.821 -2.928 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.505 -4.046 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.360 -2.514 6.558 1.00 0.00 H new ATOM 697 N GLN A 45 7.525 -2.075 6.881 1.00 0.00 N ATOM 698 CA GLN A 45 7.820 -0.740 7.389 1.00 0.00 C ATOM 699 C GLN A 45 7.334 0.336 6.421 1.00 0.00 C ATOM 700 O GLN A 45 7.158 1.492 6.805 1.00 0.00 O ATOM 701 CB GLN A 45 9.328 -0.588 7.606 1.00 0.00 C ATOM 702 CG GLN A 45 9.785 -1.545 8.709 1.00 0.00 C ATOM 703 CD GLN A 45 11.307 -1.637 8.722 1.00 0.00 C ATOM 704 OE1 GLN A 45 11.992 -0.618 8.808 1.00 0.00 O ATOM 705 NE2 GLN A 45 11.882 -2.806 8.643 1.00 0.00 N ATOM 0 H GLN A 45 7.885 -2.265 5.946 1.00 0.00 H new ATOM 0 HA GLN A 45 7.296 -0.615 8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.862 -0.802 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.565 0.440 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.425 -1.196 9.677 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.354 -2.533 8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.314 -3.650 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.900 -2.876 8.653 1.00 0.00 H new ATOM 714 N ALA A 46 7.126 -0.046 5.164 1.00 0.00 N ATOM 715 CA ALA A 46 6.670 0.904 4.155 1.00 0.00 C ATOM 716 C ALA A 46 5.448 0.376 3.411 1.00 0.00 C ATOM 717 O ALA A 46 5.097 -0.799 3.524 1.00 0.00 O ATOM 718 CB ALA A 46 7.794 1.166 3.151 1.00 0.00 C ATOM 0 H ALA A 46 7.264 -0.997 4.822 1.00 0.00 H new ATOM 0 HA ALA A 46 6.395 1.829 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.451 1.876 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.658 1.578 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.075 0.231 2.667 1.00 0.00 H new ATOM 724 N ILE A 47 4.815 1.253 2.638 1.00 0.00 N ATOM 725 CA ILE A 47 3.641 0.868 1.858 1.00 0.00 C ATOM 726 C ILE A 47 3.957 0.991 0.371 1.00 0.00 C ATOM 727 O ILE A 47 4.564 1.973 -0.056 1.00 0.00 O ATOM 728 CB ILE A 47 2.447 1.756 2.224 1.00 0.00 C ATOM 729 CG1 ILE A 47 1.232 1.353 1.382 1.00 0.00 C ATOM 730 CG2 ILE A 47 2.790 3.222 1.954 1.00 0.00 C ATOM 731 CD1 ILE A 47 0.220 0.620 2.264 1.00 0.00 C ATOM 0 H ILE A 47 5.092 2.229 2.534 1.00 0.00 H new ATOM 0 HA ILE A 47 3.382 -0.166 2.085 1.00 0.00 H new ATOM 0 HB ILE A 47 2.216 1.629 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.772 2.238 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.544 0.711 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.938 3.849 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.652 3.511 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.025 3.352 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.644 0.333 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.683 -0.273 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.101 1.277 3.073 1.00 0.00 H new ATOM 743 N TYR A 48 3.553 -0.014 -0.410 1.00 0.00 N ATOM 744 CA TYR A 48 3.822 -0.005 -1.848 1.00 0.00 C ATOM 745 C TYR A 48 2.538 -0.039 -2.670 1.00 0.00 C ATOM 746 O TYR A 48 1.504 -0.536 -2.222 1.00 0.00 O ATOM 747 CB TYR A 48 4.684 -1.210 -2.284 1.00 0.00 C ATOM 748 CG TYR A 48 5.486 -1.802 -1.136 1.00 0.00 C ATOM 749 CD1 TYR A 48 4.862 -2.214 0.050 1.00 0.00 C ATOM 750 CD2 TYR A 48 6.870 -1.962 -1.279 1.00 0.00 C ATOM 751 CE1 TYR A 48 5.618 -2.777 1.084 1.00 0.00 C ATOM 752 CE2 TYR A 48 7.626 -2.525 -0.244 1.00 0.00 C ATOM 753 CZ TYR A 48 6.999 -2.933 0.938 1.00 0.00 C ATOM 754 OH TYR A 48 7.744 -3.489 1.958 1.00 0.00 O ATOM 0 H TYR A 48 3.045 -0.833 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 48 4.360 0.925 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.038 -1.980 -2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.366 -0.897 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.795 -2.096 0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.356 -1.650 -2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.133 -3.092 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.693 -2.644 -0.358 1.00 0.00 H new ATOM 0 HH TYR A 48 8.687 -3.525 1.692 1.00 0.00 H new ATOM 764 N PHE A 49 2.640 0.460 -3.898 1.00 0.00 N ATOM 765 CA PHE A 49 1.520 0.462 -4.831 1.00 0.00 C ATOM 766 C PHE A 49 1.970 -0.177 -6.133 1.00 0.00 C ATOM 767 O PHE A 49 3.111 0.002 -6.559 1.00 0.00 O ATOM 768 CB PHE A 49 1.063 1.888 -5.139 1.00 0.00 C ATOM 769 CG PHE A 49 -0.449 1.963 -5.188 1.00 0.00 C ATOM 770 CD1 PHE A 49 -1.153 1.611 -6.359 1.00 0.00 C ATOM 771 CD2 PHE A 49 -1.151 2.413 -4.065 1.00 0.00 C ATOM 772 CE1 PHE A 49 -2.546 1.710 -6.390 1.00 0.00 C ATOM 773 CE2 PHE A 49 -2.548 2.507 -4.101 1.00 0.00 C ATOM 774 CZ PHE A 49 -3.244 2.154 -5.264 1.00 0.00 C ATOM 0 H PHE A 49 3.495 0.871 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 49 0.695 -0.088 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.442 2.570 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.480 2.212 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.616 1.266 -7.230 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.615 2.688 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.085 1.443 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.089 2.852 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.321 2.225 -5.290 1.00 0.00 H new ATOM 784 N VAL A 50 1.076 -0.902 -6.772 1.00 0.00 N ATOM 785 CA VAL A 50 1.394 -1.533 -8.024 1.00 0.00 C ATOM 786 C VAL A 50 0.774 -0.718 -9.155 1.00 0.00 C ATOM 787 O VAL A 50 -0.409 -0.386 -9.109 1.00 0.00 O ATOM 788 CB VAL A 50 0.878 -2.966 -7.970 1.00 0.00 C ATOM 789 CG1 VAL A 50 0.130 -3.290 -9.238 1.00 0.00 C ATOM 790 CG2 VAL A 50 2.049 -3.929 -7.804 1.00 0.00 C ATOM 0 H VAL A 50 0.125 -1.066 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 50 2.468 -1.569 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 50 0.203 -3.070 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.236 -4.316 -9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.713 -2.608 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.798 -3.181 -10.092 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.676 -4.952 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.730 -3.822 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.579 -3.701 -6.879 1.00 0.00 H new ATOM 800 N CYS A 51 1.577 -0.368 -10.151 1.00 0.00 N ATOM 801 CA CYS A 51 1.078 0.434 -11.264 1.00 0.00 C ATOM 802 C CYS A 51 0.863 -0.424 -12.503 1.00 0.00 C ATOM 803 O CYS A 51 0.058 -0.086 -13.371 1.00 0.00 O ATOM 804 CB CYS A 51 2.067 1.555 -11.584 1.00 0.00 C ATOM 805 SG CYS A 51 2.057 2.768 -10.241 1.00 0.00 S ATOM 0 H CYS A 51 2.563 -0.621 -10.213 1.00 0.00 H new ATOM 0 HA CYS A 51 0.120 0.863 -10.969 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.069 1.145 -11.711 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.797 2.035 -12.525 1.00 0.00 H new ATOM 0 HG CYS A 51 2.899 3.721 -10.511 1.00 0.00 H new ATOM 811 N SER A 52 1.589 -1.529 -12.584 1.00 0.00 N ATOM 812 CA SER A 52 1.469 -2.421 -13.728 1.00 0.00 C ATOM 813 C SER A 52 2.184 -3.736 -13.450 1.00 0.00 C ATOM 814 O SER A 52 3.213 -3.756 -12.780 1.00 0.00 O ATOM 815 CB SER A 52 2.075 -1.758 -14.965 1.00 0.00 C ATOM 816 OG SER A 52 1.112 -0.897 -15.556 1.00 0.00 O ATOM 0 H SER A 52 2.262 -1.828 -11.878 1.00 0.00 H new ATOM 0 HA SER A 52 0.413 -2.624 -13.905 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.965 -1.192 -14.689 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.389 -2.517 -15.681 1.00 0.00 H new ATOM 0 HG SER A 52 0.391 -0.723 -14.915 1.00 0.00 H new ATOM 822 N GLY A 53 1.630 -4.830 -13.966 1.00 0.00 N ATOM 823 CA GLY A 53 2.228 -6.145 -13.764 1.00 0.00 C ATOM 824 C GLY A 53 1.310 -7.039 -12.943 1.00 0.00 C ATOM 825 O GLY A 53 0.105 -6.798 -12.864 1.00 0.00 O ATOM 0 H GLY A 53 0.775 -4.832 -14.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.427 -6.610 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.187 -6.039 -13.257 1.00 0.00 H new ATOM 829 N SER A 54 1.880 -8.075 -12.334 1.00 0.00 N ATOM 830 CA SER A 54 1.083 -8.994 -11.524 1.00 0.00 C ATOM 831 C SER A 54 1.886 -9.512 -10.335 1.00 0.00 C ATOM 832 O SER A 54 3.090 -9.742 -10.441 1.00 0.00 O ATOM 833 CB SER A 54 0.620 -10.175 -12.379 1.00 0.00 C ATOM 834 OG SER A 54 0.465 -9.748 -13.727 1.00 0.00 O ATOM 0 H SER A 54 2.874 -8.298 -12.383 1.00 0.00 H new ATOM 0 HA SER A 54 0.216 -8.450 -11.148 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.347 -10.986 -12.324 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.324 -10.566 -11.999 1.00 0.00 H new ATOM 0 HG SER A 54 0.170 -10.503 -14.277 1.00 0.00 H new ATOM 840 N MET A 55 1.209 -9.698 -9.204 1.00 0.00 N ATOM 841 CA MET A 55 1.876 -10.196 -8.005 1.00 0.00 C ATOM 842 C MET A 55 0.876 -10.874 -7.077 1.00 0.00 C ATOM 843 O MET A 55 -0.333 -10.684 -7.206 1.00 0.00 O ATOM 844 CB MET A 55 2.564 -9.047 -7.264 1.00 0.00 C ATOM 845 CG MET A 55 1.762 -7.761 -7.453 1.00 0.00 C ATOM 846 SD MET A 55 1.709 -6.851 -5.889 1.00 0.00 S ATOM 847 CE MET A 55 3.472 -6.455 -5.791 1.00 0.00 C ATOM 0 H MET A 55 0.212 -9.514 -9.093 1.00 0.00 H new ATOM 0 HA MET A 55 2.625 -10.926 -8.312 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.647 -9.283 -6.203 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.578 -8.914 -7.641 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.217 -7.146 -8.229 1.00 0.00 H new ATOM 0 HG3 MET A 55 0.750 -7.995 -7.785 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.633 -5.700 -5.022 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.034 -7.355 -5.539 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.813 -6.072 -6.753 1.00 0.00 H new ATOM 857 N GLU A 56 1.388 -11.672 -6.145 1.00 0.00 N ATOM 858 CA GLU A 56 0.523 -12.376 -5.206 1.00 0.00 C ATOM 859 C GLU A 56 1.328 -12.898 -4.019 1.00 0.00 C ATOM 860 O GLU A 56 2.528 -13.146 -4.140 1.00 0.00 O ATOM 861 CB GLU A 56 -0.159 -13.544 -5.922 1.00 0.00 C ATOM 862 CG GLU A 56 0.840 -14.232 -6.863 1.00 0.00 C ATOM 863 CD GLU A 56 2.047 -14.732 -6.078 1.00 0.00 C ATOM 864 OE1 GLU A 56 1.873 -15.106 -4.932 1.00 0.00 O ATOM 865 OE2 GLU A 56 3.131 -14.737 -6.639 1.00 0.00 O ATOM 0 H GLU A 56 2.385 -11.846 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.230 -11.682 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.537 -14.260 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.018 -13.184 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.356 -15.067 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.163 -13.534 -7.635 1.00 0.00 H new ATOM 872 N VAL A 57 0.667 -13.084 -2.876 1.00 0.00 N ATOM 873 CA VAL A 57 1.360 -13.601 -1.702 1.00 0.00 C ATOM 874 C VAL A 57 1.179 -15.113 -1.648 1.00 0.00 C ATOM 875 O VAL A 57 0.080 -15.617 -1.890 1.00 0.00 O ATOM 876 CB VAL A 57 0.872 -12.947 -0.407 1.00 0.00 C ATOM 877 CG1 VAL A 57 0.528 -11.470 -0.637 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.350 -13.681 0.104 1.00 0.00 C ATOM 0 H VAL A 57 -0.325 -12.889 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 57 2.419 -13.357 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 57 1.671 -13.004 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.184 -11.027 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.415 -10.940 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.259 -11.392 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.696 -13.214 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.141 -13.636 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.094 -14.722 0.299 1.00 0.00 H new ATOM 888 N LEU A 58 2.273 -15.831 -1.375 1.00 0.00 N ATOM 889 CA LEU A 58 2.237 -17.291 -1.347 1.00 0.00 C ATOM 890 C LEU A 58 2.295 -17.836 0.073 1.00 0.00 C ATOM 891 O LEU A 58 3.258 -17.598 0.802 1.00 0.00 O ATOM 892 CB LEU A 58 3.416 -17.846 -2.154 1.00 0.00 C ATOM 893 CG LEU A 58 2.909 -18.789 -3.253 1.00 0.00 C ATOM 894 CD1 LEU A 58 4.084 -19.593 -3.814 1.00 0.00 C ATOM 895 CD2 LEU A 58 1.867 -19.756 -2.683 1.00 0.00 C ATOM 0 H LEU A 58 3.187 -15.426 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 58 1.292 -17.608 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.979 -17.026 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.099 -18.380 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 58 2.451 -18.195 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.726 -20.264 -4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.825 -18.911 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.540 -20.177 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.516 -20.419 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.317 -20.348 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.025 -19.190 -2.283 1.00 0.00 H new ATOM 907 N LYS A 59 1.260 -18.577 0.454 1.00 0.00 N ATOM 908 CA LYS A 59 1.210 -19.159 1.786 1.00 0.00 C ATOM 909 C LYS A 59 0.197 -20.303 1.853 1.00 0.00 C ATOM 910 O LYS A 59 -0.855 -20.255 1.216 1.00 0.00 O ATOM 911 CB LYS A 59 0.874 -18.072 2.805 1.00 0.00 C ATOM 912 CG LYS A 59 0.491 -18.689 4.160 1.00 0.00 C ATOM 913 CD LYS A 59 1.686 -19.436 4.771 1.00 0.00 C ATOM 914 CE LYS A 59 2.791 -18.441 5.137 1.00 0.00 C ATOM 915 NZ LYS A 59 2.194 -17.281 5.855 1.00 0.00 N ATOM 0 H LYS A 59 0.454 -18.786 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 59 2.188 -19.579 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.730 -17.410 2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.051 -17.462 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.158 -17.906 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.346 -19.375 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.369 -19.983 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.067 -20.172 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.539 -18.926 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.303 -18.101 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.928 -16.806 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.800 -16.610 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.436 -17.615 6.484 1.00 0.00 H new ATOM 929 N ASP A 60 0.531 -21.327 2.632 1.00 0.00 N ATOM 930 CA ASP A 60 -0.339 -22.487 2.796 1.00 0.00 C ATOM 931 C ASP A 60 -0.602 -23.186 1.464 1.00 0.00 C ATOM 932 O ASP A 60 -1.728 -23.592 1.177 1.00 0.00 O ATOM 933 CB ASP A 60 -1.668 -22.055 3.416 1.00 0.00 C ATOM 934 CG ASP A 60 -1.542 -21.995 4.935 1.00 0.00 C ATOM 935 OD1 ASP A 60 -0.435 -21.801 5.410 1.00 0.00 O ATOM 936 OD2 ASP A 60 -2.554 -22.141 5.600 1.00 0.00 O ATOM 0 H ASP A 60 1.401 -21.377 3.162 1.00 0.00 H new ATOM 0 HA ASP A 60 0.168 -23.192 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.959 -21.079 3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.454 -22.756 3.136 1.00 0.00 H new ATOM 941 N ASN A 61 0.451 -23.350 0.670 1.00 0.00 N ATOM 942 CA ASN A 61 0.333 -24.033 -0.616 1.00 0.00 C ATOM 943 C ASN A 61 -0.517 -23.239 -1.602 1.00 0.00 C ATOM 944 O ASN A 61 -0.605 -23.596 -2.776 1.00 0.00 O ATOM 945 CB ASN A 61 -0.284 -25.417 -0.411 1.00 0.00 C ATOM 946 CG ASN A 61 0.178 -26.361 -1.515 1.00 0.00 C ATOM 947 OD1 ASN A 61 0.517 -25.916 -2.612 1.00 0.00 O ATOM 948 ND2 ASN A 61 0.211 -27.646 -1.291 1.00 0.00 N ATOM 0 H ASN A 61 1.391 -23.022 0.891 1.00 0.00 H new ATOM 0 HA ASN A 61 1.335 -24.128 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.005 -25.813 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.372 -25.344 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.518 -28.284 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.070 -28.013 -0.382 1.00 0.00 H new ATOM 955 N THR A 62 -1.139 -22.162 -1.133 1.00 0.00 N ATOM 956 CA THR A 62 -1.967 -21.347 -2.014 1.00 0.00 C ATOM 957 C THR A 62 -1.606 -19.890 -1.884 1.00 0.00 C ATOM 958 O THR A 62 -1.109 -19.448 -0.848 1.00 0.00 O ATOM 959 CB THR A 62 -3.448 -21.499 -1.676 1.00 0.00 C ATOM 960 OG1 THR A 62 -3.788 -22.878 -1.638 1.00 0.00 O ATOM 961 CG2 THR A 62 -4.299 -20.783 -2.741 1.00 0.00 C ATOM 0 H THR A 62 -1.088 -21.838 -0.167 1.00 0.00 H new ATOM 0 HA THR A 62 -1.785 -21.691 -3.032 1.00 0.00 H new ATOM 0 HB THR A 62 -3.644 -21.052 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.738 -22.975 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.356 -20.893 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.040 -19.724 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.105 -21.224 -3.719 1.00 0.00 H new ATOM 969 N VAL A 63 -1.892 -19.135 -2.926 1.00 0.00 N ATOM 970 CA VAL A 63 -1.627 -17.723 -2.885 1.00 0.00 C ATOM 971 C VAL A 63 -2.637 -17.078 -1.949 1.00 0.00 C ATOM 972 O VAL A 63 -3.842 -17.124 -2.194 1.00 0.00 O ATOM 973 CB VAL A 63 -1.714 -17.128 -4.284 1.00 0.00 C ATOM 974 CG1 VAL A 63 -0.301 -16.909 -4.823 1.00 0.00 C ATOM 975 CG2 VAL A 63 -2.449 -18.104 -5.194 1.00 0.00 C ATOM 0 H VAL A 63 -2.302 -19.475 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.619 -17.536 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.248 -16.178 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.356 -16.483 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.237 -16.225 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.225 -17.863 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.516 -17.685 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.905 -19.048 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.453 -18.278 -4.806 1.00 0.00 H new ATOM 985 N LEU A 64 -2.146 -16.511 -0.856 1.00 0.00 N ATOM 986 CA LEU A 64 -3.031 -15.905 0.126 1.00 0.00 C ATOM 987 C LEU A 64 -3.567 -14.583 -0.400 1.00 0.00 C ATOM 988 O LEU A 64 -4.512 -14.021 0.153 1.00 0.00 O ATOM 989 CB LEU A 64 -2.270 -15.670 1.438 1.00 0.00 C ATOM 990 CG LEU A 64 -3.021 -16.286 2.627 1.00 0.00 C ATOM 991 CD1 LEU A 64 -2.428 -17.661 2.947 1.00 0.00 C ATOM 992 CD2 LEU A 64 -2.862 -15.374 3.845 1.00 0.00 C ATOM 0 H LEU A 64 -1.153 -16.458 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.867 -16.579 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.273 -16.106 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.140 -14.600 1.600 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.077 -16.393 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.960 -18.099 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.527 -18.311 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.373 -17.552 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.393 -15.805 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.805 -15.276 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.275 -14.391 3.620 1.00 0.00 H new ATOM 1004 N ALA A 65 -2.968 -14.099 -1.480 1.00 0.00 N ATOM 1005 CA ALA A 65 -3.414 -12.850 -2.076 1.00 0.00 C ATOM 1006 C ALA A 65 -3.180 -12.868 -3.579 1.00 0.00 C ATOM 1007 O ALA A 65 -2.099 -13.225 -4.045 1.00 0.00 O ATOM 1008 CB ALA A 65 -2.658 -11.673 -1.453 1.00 0.00 C ATOM 0 H ALA A 65 -2.183 -14.546 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.481 -12.736 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.998 -10.742 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.848 -11.646 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.589 -11.793 -1.630 1.00 0.00 H new ATOM 1014 N ILE A 66 -4.196 -12.465 -4.331 1.00 0.00 N ATOM 1015 CA ILE A 66 -4.082 -12.424 -5.780 1.00 0.00 C ATOM 1016 C ILE A 66 -4.493 -11.038 -6.277 1.00 0.00 C ATOM 1017 O ILE A 66 -5.680 -10.708 -6.287 1.00 0.00 O ATOM 1018 CB ILE A 66 -4.993 -13.486 -6.400 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -4.390 -14.878 -6.175 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -5.128 -13.227 -7.902 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -4.876 -15.438 -4.833 1.00 0.00 C ATOM 0 H ILE A 66 -5.099 -12.165 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.051 -12.626 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.976 -13.437 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.680 -15.546 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.302 -14.820 -6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.777 -13.983 -8.345 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.559 -12.239 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.144 -13.274 -8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.447 -16.427 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.564 -14.774 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.963 -15.512 -4.842 1.00 0.00 H new ATOM 1033 N LEU A 67 -3.518 -10.220 -6.671 1.00 0.00 N ATOM 1034 CA LEU A 67 -3.827 -8.871 -7.142 1.00 0.00 C ATOM 1035 C LEU A 67 -3.085 -8.519 -8.431 1.00 0.00 C ATOM 1036 O LEU A 67 -2.108 -9.176 -8.806 1.00 0.00 O ATOM 1037 CB LEU A 67 -3.497 -7.843 -6.058 1.00 0.00 C ATOM 1038 CG LEU A 67 -2.552 -8.458 -5.031 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -1.208 -8.721 -5.697 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -2.363 -7.480 -3.868 1.00 0.00 C ATOM 0 H LEU A 67 -2.527 -10.461 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.894 -8.847 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.037 -6.963 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.413 -7.510 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.967 -9.392 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.523 -9.161 -4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.344 -9.408 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.794 -7.782 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.688 -7.916 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.939 -6.548 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.327 -7.279 -3.402 1.00 0.00 H new ATOM 1052 N GLY A 68 -3.557 -7.464 -9.097 1.00 0.00 N ATOM 1053 CA GLY A 68 -2.940 -7.009 -10.338 1.00 0.00 C ATOM 1054 C GLY A 68 -2.616 -5.515 -10.282 1.00 0.00 C ATOM 1055 O GLY A 68 -2.383 -4.956 -9.211 1.00 0.00 O ATOM 0 H GLY A 68 -4.361 -6.913 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.027 -7.575 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.611 -7.207 -11.174 1.00 0.00 H new ATOM 1059 N LYS A 69 -2.589 -4.890 -11.453 1.00 0.00 N ATOM 1060 CA LYS A 69 -2.277 -3.473 -11.578 1.00 0.00 C ATOM 1061 C LYS A 69 -3.162 -2.589 -10.696 1.00 0.00 C ATOM 1062 O LYS A 69 -4.378 -2.766 -10.634 1.00 0.00 O ATOM 1063 CB LYS A 69 -2.458 -3.062 -13.033 1.00 0.00 C ATOM 1064 CG LYS A 69 -1.871 -4.142 -13.945 1.00 0.00 C ATOM 1065 CD LYS A 69 -1.846 -3.636 -15.389 1.00 0.00 C ATOM 1066 CE LYS A 69 -1.424 -4.774 -16.321 1.00 0.00 C ATOM 1067 NZ LYS A 69 -2.197 -4.692 -17.591 1.00 0.00 N ATOM 0 H LYS A 69 -2.783 -5.352 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.248 -3.331 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.516 -2.921 -13.253 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.964 -2.108 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.862 -4.397 -13.621 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.467 -5.052 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.831 -3.265 -15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.152 -2.800 -15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.356 -4.710 -16.529 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.598 -5.736 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.909 -5.466 -18.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.213 -4.773 -17.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.009 -3.779 -18.053 1.00 0.00 H new ATOM 1081 N GLY A 70 -2.527 -1.617 -10.040 1.00 0.00 N ATOM 1082 CA GLY A 70 -3.234 -0.670 -9.183 1.00 0.00 C ATOM 1083 C GLY A 70 -3.430 -1.215 -7.773 1.00 0.00 C ATOM 1084 O GLY A 70 -3.886 -0.504 -6.879 1.00 0.00 O ATOM 0 H GLY A 70 -1.519 -1.466 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.675 0.265 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.205 -0.439 -9.621 1.00 0.00 H new ATOM 1088 N ASP A 71 -3.106 -2.482 -7.578 1.00 0.00 N ATOM 1089 CA ASP A 71 -3.273 -3.093 -6.268 1.00 0.00 C ATOM 1090 C ASP A 71 -2.385 -2.416 -5.231 1.00 0.00 C ATOM 1091 O ASP A 71 -1.362 -1.820 -5.567 1.00 0.00 O ATOM 1092 CB ASP A 71 -2.939 -4.577 -6.341 1.00 0.00 C ATOM 1093 CG ASP A 71 -1.427 -4.774 -6.367 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -0.770 -4.282 -5.464 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -0.948 -5.412 -7.289 1.00 0.00 O ATOM 0 H ASP A 71 -2.731 -3.101 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.312 -2.968 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.366 -5.096 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.386 -5.015 -7.234 1.00 0.00 H new ATOM 1100 N LEU A 72 -2.784 -2.518 -3.967 1.00 0.00 N ATOM 1101 CA LEU A 72 -2.019 -1.917 -2.883 1.00 0.00 C ATOM 1102 C LEU A 72 -1.543 -2.990 -1.915 1.00 0.00 C ATOM 1103 O LEU A 72 -2.289 -3.912 -1.575 1.00 0.00 O ATOM 1104 CB LEU A 72 -2.878 -0.896 -2.132 1.00 0.00 C ATOM 1105 CG LEU A 72 -2.078 -0.289 -0.971 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -1.268 0.903 -1.474 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -3.044 0.179 0.119 1.00 0.00 C ATOM 0 H LEU A 72 -3.628 -3.008 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.153 -1.412 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.200 -0.108 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.779 -1.377 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.402 -1.041 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.701 1.332 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.581 0.573 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.943 1.656 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.479 0.611 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.719 0.931 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.624 -0.670 0.481 1.00 0.00 H new ATOM 1119 N ILE A 73 -0.301 -2.850 -1.467 1.00 0.00 N ATOM 1120 CA ILE A 73 0.283 -3.795 -0.530 1.00 0.00 C ATOM 1121 C ILE A 73 0.614 -3.098 0.789 1.00 0.00 C ATOM 1122 O ILE A 73 1.196 -2.011 0.803 1.00 0.00 O ATOM 1123 CB ILE A 73 1.546 -4.396 -1.136 1.00 0.00 C ATOM 1124 CG1 ILE A 73 2.300 -5.220 -0.089 1.00 0.00 C ATOM 1125 CG2 ILE A 73 2.403 -3.279 -1.625 1.00 0.00 C ATOM 1126 CD1 ILE A 73 1.427 -6.389 0.366 1.00 0.00 C ATOM 0 H ILE A 73 0.320 -2.088 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.435 -4.590 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 73 1.284 -5.059 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.235 -5.592 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.560 -4.593 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.314 -3.685 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.861 -2.707 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.661 -2.627 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.964 -6.976 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.504 -6.006 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.189 -7.020 -0.490 1.00 0.00 H new ATOM 1138 N GLY A 74 0.231 -3.726 1.894 1.00 0.00 N ATOM 1139 CA GLY A 74 0.480 -3.155 3.212 1.00 0.00 C ATOM 1140 C GLY A 74 -0.829 -2.985 3.972 1.00 0.00 C ATOM 1141 O GLY A 74 -1.882 -2.795 3.366 1.00 0.00 O ATOM 0 H GLY A 74 -0.250 -4.625 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.153 -3.802 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.977 -2.190 3.110 1.00 0.00 H new ATOM 1145 N SER A 75 -0.762 -3.062 5.296 1.00 0.00 N ATOM 1146 CA SER A 75 -1.960 -2.928 6.118 1.00 0.00 C ATOM 1147 C SER A 75 -2.377 -1.467 6.251 1.00 0.00 C ATOM 1148 O SER A 75 -1.536 -0.569 6.305 1.00 0.00 O ATOM 1149 CB SER A 75 -1.704 -3.512 7.508 1.00 0.00 C ATOM 1150 OG SER A 75 -0.303 -3.646 7.709 1.00 0.00 O ATOM 0 H SER A 75 0.100 -3.215 5.820 1.00 0.00 H new ATOM 0 HA SER A 75 -2.767 -3.474 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.133 -2.864 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.191 -4.482 7.603 1.00 0.00 H new ATOM 0 HG SER A 75 0.014 -4.462 7.268 1.00 0.00 H new ATOM 1156 N ASP A 76 -3.686 -1.245 6.307 1.00 0.00 N ATOM 1157 CA ASP A 76 -4.232 0.103 6.437 1.00 0.00 C ATOM 1158 C ASP A 76 -4.225 0.541 7.898 1.00 0.00 C ATOM 1159 O ASP A 76 -3.615 -0.107 8.748 1.00 0.00 O ATOM 1160 CB ASP A 76 -5.665 0.140 5.904 1.00 0.00 C ATOM 1161 CG ASP A 76 -6.440 -1.071 6.412 1.00 0.00 C ATOM 1162 OD1 ASP A 76 -5.808 -1.988 6.909 1.00 0.00 O ATOM 1163 OD2 ASP A 76 -7.654 -1.063 6.297 1.00 0.00 O ATOM 0 H ASP A 76 -4.390 -1.982 6.264 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.610 0.785 5.857 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.158 1.058 6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.657 0.146 4.814 1.00 0.00 H new ATOM 1168 N SER A 77 -4.907 1.647 8.181 1.00 0.00 N ATOM 1169 CA SER A 77 -4.974 2.166 9.542 1.00 0.00 C ATOM 1170 C SER A 77 -3.629 2.748 9.959 1.00 0.00 C ATOM 1171 O SER A 77 -3.178 2.556 11.089 1.00 0.00 O ATOM 1172 CB SER A 77 -5.370 1.048 10.507 1.00 0.00 C ATOM 1173 OG SER A 77 -6.087 1.604 11.601 1.00 0.00 O ATOM 0 H SER A 77 -5.418 2.198 7.491 1.00 0.00 H new ATOM 0 HA SER A 77 -5.724 2.956 9.574 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.984 0.309 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.481 0.530 10.866 1.00 0.00 H new ATOM 0 HG SER A 77 -6.344 0.890 12.221 1.00 0.00 H new ATOM 1179 N LEU A 78 -2.997 3.465 9.037 1.00 0.00 N ATOM 1180 CA LEU A 78 -1.704 4.082 9.310 1.00 0.00 C ATOM 1181 C LEU A 78 -1.767 4.905 10.594 1.00 0.00 C ATOM 1182 O LEU A 78 -0.744 5.382 11.088 1.00 0.00 O ATOM 1183 CB LEU A 78 -1.311 4.987 8.141 1.00 0.00 C ATOM 1184 CG LEU A 78 -0.520 4.183 7.109 1.00 0.00 C ATOM 1185 CD1 LEU A 78 -1.292 2.913 6.746 1.00 0.00 C ATOM 1186 CD2 LEU A 78 -0.318 5.032 5.849 1.00 0.00 C ATOM 0 H LEU A 78 -3.357 3.633 8.098 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.959 3.296 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.204 5.410 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.712 5.823 8.502 1.00 0.00 H new ATOM 0 HG LEU A 78 0.449 3.911 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.726 2.341 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.439 2.308 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.262 3.184 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.246 4.461 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.289 5.303 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.233 5.937 6.105 1.00 0.00 H new ATOM 1198 N THR A 79 -2.975 5.071 11.125 1.00 0.00 N ATOM 1199 CA THR A 79 -3.166 5.843 12.348 1.00 0.00 C ATOM 1200 C THR A 79 -2.834 5.003 13.578 1.00 0.00 C ATOM 1201 O THR A 79 -2.623 5.538 14.667 1.00 0.00 O ATOM 1202 CB THR A 79 -4.615 6.327 12.438 1.00 0.00 C ATOM 1203 OG1 THR A 79 -5.079 6.669 11.139 1.00 0.00 O ATOM 1204 CG2 THR A 79 -4.690 7.553 13.348 1.00 0.00 C ATOM 0 H THR A 79 -3.832 4.683 10.730 1.00 0.00 H new ATOM 0 HA THR A 79 -2.494 6.701 12.318 1.00 0.00 H new ATOM 0 HB THR A 79 -5.239 5.534 12.850 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.928 7.153 11.212 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.722 7.897 13.411 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.334 7.289 14.344 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.067 8.349 12.939 1.00 0.00 H new ATOM 1212 N LYS A 80 -2.788 3.688 13.400 1.00 0.00 N ATOM 1213 CA LYS A 80 -2.479 2.791 14.505 1.00 0.00 C ATOM 1214 C LYS A 80 -0.974 2.748 14.750 1.00 0.00 C ATOM 1215 O LYS A 80 -0.509 2.106 15.691 1.00 0.00 O ATOM 1216 CB LYS A 80 -2.990 1.381 14.196 1.00 0.00 C ATOM 1217 CG LYS A 80 -1.989 0.661 13.290 1.00 0.00 C ATOM 1218 CD LYS A 80 -2.581 -0.673 12.834 1.00 0.00 C ATOM 1219 CE LYS A 80 -2.197 -1.770 13.829 1.00 0.00 C ATOM 1220 NZ LYS A 80 -2.920 -3.027 13.487 1.00 0.00 N ATOM 0 H LYS A 80 -2.959 3.223 12.509 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.973 3.164 15.402 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.126 0.822 15.121 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.964 1.434 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.754 1.281 12.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.054 0.492 13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.666 -0.596 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.213 -0.925 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.120 -1.939 13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.446 -1.459 14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.659 -3.773 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.946 -2.861 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.661 -3.326 12.525 1.00 0.00 H new ATOM 1234 N GLU A 81 -0.224 3.441 13.895 1.00 0.00 N ATOM 1235 CA GLU A 81 1.231 3.489 14.013 1.00 0.00 C ATOM 1236 C GLU A 81 1.756 2.314 14.832 1.00 0.00 C ATOM 1237 O GLU A 81 1.824 2.381 16.059 1.00 0.00 O ATOM 1238 CB GLU A 81 1.657 4.801 14.678 1.00 0.00 C ATOM 1239 CG GLU A 81 1.117 5.982 13.869 1.00 0.00 C ATOM 1240 CD GLU A 81 2.070 6.308 12.725 1.00 0.00 C ATOM 1241 OE1 GLU A 81 3.075 5.628 12.606 1.00 0.00 O ATOM 1242 OE2 GLU A 81 1.780 7.233 11.983 1.00 0.00 O ATOM 0 H GLU A 81 -0.601 3.977 13.113 1.00 0.00 H new ATOM 0 HA GLU A 81 1.652 3.429 13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.279 4.843 15.699 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.744 4.854 14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.130 5.742 13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.999 6.852 14.515 1.00 0.00 H new ATOM 1249 N GLN A 82 2.128 1.240 14.145 1.00 0.00 N ATOM 1250 CA GLN A 82 2.649 0.059 14.820 1.00 0.00 C ATOM 1251 C GLN A 82 3.520 -0.761 13.877 1.00 0.00 C ATOM 1252 O GLN A 82 3.593 -0.482 12.680 1.00 0.00 O ATOM 1253 CB GLN A 82 1.498 -0.803 15.336 1.00 0.00 C ATOM 1254 CG GLN A 82 1.710 -1.122 16.815 1.00 0.00 C ATOM 1255 CD GLN A 82 3.127 -1.638 17.049 1.00 0.00 C ATOM 1256 OE1 GLN A 82 4.046 -0.854 17.287 1.00 0.00 O ATOM 1257 NE2 GLN A 82 3.358 -2.921 17.001 1.00 0.00 N ATOM 0 H GLN A 82 2.079 1.163 13.129 1.00 0.00 H new ATOM 0 HA GLN A 82 3.258 0.389 15.661 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.551 -0.280 15.200 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.438 -1.727 14.761 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.538 -0.228 17.415 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.986 -1.869 17.140 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.596 -3.569 16.804 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.301 -3.276 17.161 1.00 0.00 H new ATOM 1266 N VAL A 83 4.184 -1.773 14.426 1.00 0.00 N ATOM 1267 CA VAL A 83 5.054 -2.627 13.628 1.00 0.00 C ATOM 1268 C VAL A 83 4.279 -3.818 13.073 1.00 0.00 C ATOM 1269 O VAL A 83 3.674 -4.581 13.827 1.00 0.00 O ATOM 1270 CB VAL A 83 6.216 -3.127 14.486 1.00 0.00 C ATOM 1271 CG1 VAL A 83 6.690 -2.004 15.412 1.00 0.00 C ATOM 1272 CG2 VAL A 83 5.752 -4.317 15.329 1.00 0.00 C ATOM 0 H VAL A 83 4.136 -2.020 15.414 1.00 0.00 H new ATOM 0 HA VAL A 83 5.440 -2.042 12.793 1.00 0.00 H new ATOM 0 HB VAL A 83 7.037 -3.435 13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.519 -2.362 16.023 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.020 -1.155 14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.869 -1.695 16.059 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.580 -4.674 15.941 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.931 -4.007 15.975 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.414 -5.119 14.672 1.00 0.00 H new ATOM 1282 N ILE A 84 4.305 -3.976 11.754 1.00 0.00 N ATOM 1283 CA ILE A 84 3.606 -5.082 11.113 1.00 0.00 C ATOM 1284 C ILE A 84 4.606 -6.026 10.465 1.00 0.00 C ATOM 1285 O ILE A 84 5.521 -5.590 9.771 1.00 0.00 O ATOM 1286 CB ILE A 84 2.638 -4.551 10.053 1.00 0.00 C ATOM 1287 CG1 ILE A 84 1.489 -3.807 10.740 1.00 0.00 C ATOM 1288 CG2 ILE A 84 2.076 -5.719 9.243 1.00 0.00 C ATOM 1289 CD1 ILE A 84 1.841 -2.324 10.865 1.00 0.00 C ATOM 0 H ILE A 84 4.799 -3.356 11.112 1.00 0.00 H new ATOM 0 HA ILE A 84 3.042 -5.624 11.872 1.00 0.00 H new ATOM 0 HB ILE A 84 3.167 -3.869 9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.570 -3.926 10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.305 -4.232 11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.387 -5.340 8.488 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.893 -6.249 8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.547 -6.402 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.023 -1.796 11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.749 -2.214 11.458 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.003 -1.903 9.872 1.00 0.00 H new ATOM 1301 N LYS A 85 4.429 -7.319 10.699 1.00 0.00 N ATOM 1302 CA LYS A 85 5.330 -8.312 10.130 1.00 0.00 C ATOM 1303 C LYS A 85 4.587 -9.187 9.131 1.00 0.00 C ATOM 1304 O LYS A 85 3.485 -9.653 9.401 1.00 0.00 O ATOM 1305 CB LYS A 85 5.922 -9.180 11.237 1.00 0.00 C ATOM 1306 CG LYS A 85 4.955 -9.227 12.415 1.00 0.00 C ATOM 1307 CD LYS A 85 5.218 -10.487 13.243 1.00 0.00 C ATOM 1308 CE LYS A 85 4.582 -10.336 14.623 1.00 0.00 C ATOM 1309 NZ LYS A 85 3.519 -9.292 14.574 1.00 0.00 N ATOM 0 H LYS A 85 3.678 -7.702 11.273 1.00 0.00 H new ATOM 0 HA LYS A 85 6.138 -7.793 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.108 -10.187 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.883 -8.776 11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.078 -8.339 13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.926 -9.224 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.807 -11.360 12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.291 -10.652 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.157 -11.287 14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.341 -10.062 15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.773 -9.524 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.930 -8.366 14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.111 -9.257 13.618 1.00 0.00 H new ATOM 1323 N THR A 86 5.195 -9.403 7.974 1.00 0.00 N ATOM 1324 CA THR A 86 4.570 -10.220 6.942 1.00 0.00 C ATOM 1325 C THR A 86 4.670 -11.697 7.298 1.00 0.00 C ATOM 1326 O THR A 86 5.765 -12.235 7.451 1.00 0.00 O ATOM 1327 CB THR A 86 5.243 -9.967 5.590 1.00 0.00 C ATOM 1328 OG1 THR A 86 5.884 -8.699 5.613 1.00 0.00 O ATOM 1329 CG2 THR A 86 4.197 -9.992 4.471 1.00 0.00 C ATOM 0 H THR A 86 6.111 -9.029 7.727 1.00 0.00 H new ATOM 0 HA THR A 86 3.517 -9.945 6.875 1.00 0.00 H new ATOM 0 HB THR A 86 5.980 -10.748 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.753 -8.251 4.752 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.685 -9.811 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.708 -10.966 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.453 -9.216 4.651 1.00 0.00 H new ATOM 1337 N ASN A 87 3.516 -12.344 7.436 1.00 0.00 N ATOM 1338 CA ASN A 87 3.478 -13.760 7.782 1.00 0.00 C ATOM 1339 C ASN A 87 3.577 -14.629 6.531 1.00 0.00 C ATOM 1340 O ASN A 87 4.120 -15.732 6.574 1.00 0.00 O ATOM 1341 CB ASN A 87 2.178 -14.077 8.524 1.00 0.00 C ATOM 1342 CG ASN A 87 2.410 -15.206 9.522 1.00 0.00 C ATOM 1343 OD1 ASN A 87 1.988 -16.338 9.288 1.00 0.00 O ATOM 1344 ND2 ASN A 87 3.061 -14.964 10.628 1.00 0.00 N ATOM 0 H ASN A 87 2.600 -11.912 7.314 1.00 0.00 H new ATOM 0 HA ASN A 87 4.331 -13.979 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.820 -13.188 9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.404 -14.363 7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.221 -15.714 11.300 1.00 0.00 H new ATOM 0 HD22 ASN A 87 3.410 -14.025 10.819 1.00 0.00 H new ATOM 1351 N ALA A 88 3.054 -14.125 5.418 1.00 0.00 N ATOM 1352 CA ALA A 88 3.097 -14.868 4.164 1.00 0.00 C ATOM 1353 C ALA A 88 4.284 -14.418 3.321 1.00 0.00 C ATOM 1354 O ALA A 88 5.110 -13.618 3.760 1.00 0.00 O ATOM 1355 CB ALA A 88 1.797 -14.656 3.375 1.00 0.00 C ATOM 0 H ALA A 88 2.600 -13.214 5.358 1.00 0.00 H new ATOM 0 HA ALA A 88 3.206 -15.927 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.843 -15.216 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.951 -15.006 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.673 -13.595 3.156 1.00 0.00 H new ATOM 1361 N ASN A 89 4.358 -14.931 2.105 1.00 0.00 N ATOM 1362 CA ASN A 89 5.437 -14.570 1.195 1.00 0.00 C ATOM 1363 C ASN A 89 4.851 -13.807 0.018 1.00 0.00 C ATOM 1364 O ASN A 89 3.640 -13.792 -0.159 1.00 0.00 O ATOM 1365 CB ASN A 89 6.147 -15.831 0.695 1.00 0.00 C ATOM 1366 CG ASN A 89 6.435 -16.767 1.862 1.00 0.00 C ATOM 1367 OD1 ASN A 89 6.038 -16.489 2.995 1.00 0.00 O ATOM 1368 ND2 ASN A 89 7.103 -17.869 1.654 1.00 0.00 N ATOM 0 H ASN A 89 3.687 -15.597 1.723 1.00 0.00 H new ATOM 0 HA ASN A 89 6.163 -13.946 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.527 -16.338 -0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.078 -15.560 0.197 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.297 -18.502 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.431 -18.097 0.715 1.00 0.00 H new ATOM 1375 N VAL A 90 5.701 -13.148 -0.760 1.00 0.00 N ATOM 1376 CA VAL A 90 5.251 -12.370 -1.876 1.00 0.00 C ATOM 1377 C VAL A 90 6.122 -12.657 -3.074 1.00 0.00 C ATOM 1378 O VAL A 90 7.344 -12.485 -3.019 1.00 0.00 O ATOM 1379 CB VAL A 90 5.325 -10.897 -1.503 1.00 0.00 C ATOM 1380 CG1 VAL A 90 5.472 -10.068 -2.763 1.00 0.00 C ATOM 1381 CG2 VAL A 90 4.051 -10.486 -0.758 1.00 0.00 C ATOM 0 H VAL A 90 6.712 -13.146 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 90 4.222 -12.627 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 90 6.185 -10.729 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.525 -9.012 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.384 -10.358 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.613 -10.237 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.109 -9.430 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.185 -10.652 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.951 -11.083 0.149 1.00 0.00 H new ATOM 1391 N LYS A 91 5.484 -13.074 -4.154 1.00 0.00 N ATOM 1392 CA LYS A 91 6.193 -13.374 -5.379 1.00 0.00 C ATOM 1393 C LYS A 91 5.529 -12.668 -6.552 1.00 0.00 C ATOM 1394 O LYS A 91 4.362 -12.914 -6.860 1.00 0.00 O ATOM 1395 CB LYS A 91 6.200 -14.887 -5.619 1.00 0.00 C ATOM 1396 CG LYS A 91 6.742 -15.189 -7.018 1.00 0.00 C ATOM 1397 CD LYS A 91 6.729 -16.701 -7.252 1.00 0.00 C ATOM 1398 CE LYS A 91 5.458 -17.089 -8.013 1.00 0.00 C ATOM 1399 NZ LYS A 91 5.314 -18.573 -8.013 1.00 0.00 N ATOM 0 H LYS A 91 4.475 -13.212 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 91 7.220 -13.021 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.815 -15.381 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.190 -15.285 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.134 -14.688 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.756 -14.803 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.611 -17.000 -7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.770 -17.228 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.587 -16.628 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.506 -16.717 -9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.451 -18.838 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.140 -19.002 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.250 -18.916 -7.033 1.00 0.00 H new ATOM 1413 N ALA A 92 6.281 -11.798 -7.210 1.00 0.00 N ATOM 1414 CA ALA A 92 5.760 -11.081 -8.356 1.00 0.00 C ATOM 1415 C ALA A 92 5.534 -12.073 -9.481 1.00 0.00 C ATOM 1416 O ALA A 92 6.481 -12.708 -9.950 1.00 0.00 O ATOM 1417 CB ALA A 92 6.751 -10.003 -8.800 1.00 0.00 C ATOM 0 H ALA A 92 7.247 -11.575 -6.970 1.00 0.00 H new ATOM 0 HA ALA A 92 4.821 -10.595 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.348 -9.471 -9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.914 -9.300 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.698 -10.469 -9.072 1.00 0.00 H new ATOM 1423 N LEU A 93 4.276 -12.210 -9.897 1.00 0.00 N ATOM 1424 CA LEU A 93 3.924 -13.146 -10.956 1.00 0.00 C ATOM 1425 C LEU A 93 4.441 -12.633 -12.293 1.00 0.00 C ATOM 1426 O LEU A 93 5.059 -13.372 -13.060 1.00 0.00 O ATOM 1427 CB LEU A 93 2.402 -13.302 -11.019 1.00 0.00 C ATOM 1428 CG LEU A 93 2.000 -14.722 -10.610 1.00 0.00 C ATOM 1429 CD1 LEU A 93 2.687 -15.101 -9.295 1.00 0.00 C ATOM 1430 CD2 LEU A 93 0.483 -14.777 -10.420 1.00 0.00 C ATOM 0 H LEU A 93 3.488 -11.685 -9.517 1.00 0.00 H new ATOM 0 HA LEU A 93 4.379 -14.114 -10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.927 -12.577 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.049 -13.093 -12.029 1.00 0.00 H new ATOM 0 HG LEU A 93 2.305 -15.422 -11.388 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.396 -16.112 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.768 -15.057 -9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.386 -14.404 -8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.189 -15.785 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.188 -14.074 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.011 -14.511 -11.355 1.00 0.00 H new ATOM 1442 N THR A 94 4.199 -11.357 -12.551 1.00 0.00 N ATOM 1443 CA THR A 94 4.656 -10.733 -13.782 1.00 0.00 C ATOM 1444 C THR A 94 5.432 -9.468 -13.445 1.00 0.00 C ATOM 1445 O THR A 94 5.147 -8.810 -12.443 1.00 0.00 O ATOM 1446 CB THR A 94 3.462 -10.387 -14.673 1.00 0.00 C ATOM 1447 OG1 THR A 94 2.636 -9.445 -14.005 1.00 0.00 O ATOM 1448 CG2 THR A 94 2.660 -11.655 -14.974 1.00 0.00 C ATOM 0 H THR A 94 3.689 -10.734 -11.925 1.00 0.00 H new ATOM 0 HA THR A 94 5.303 -11.427 -14.319 1.00 0.00 H new ATOM 0 HB THR A 94 3.818 -9.959 -15.610 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.697 -9.622 -14.221 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.810 -11.406 -15.609 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.297 -12.375 -15.487 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.301 -12.089 -14.041 1.00 0.00 H new ATOM 1456 N TYR A 95 6.411 -9.128 -14.275 1.00 0.00 N ATOM 1457 CA TYR A 95 7.210 -7.937 -14.022 1.00 0.00 C ATOM 1458 C TYR A 95 6.295 -6.774 -13.682 1.00 0.00 C ATOM 1459 O TYR A 95 5.386 -6.443 -14.443 1.00 0.00 O ATOM 1460 CB TYR A 95 8.048 -7.591 -15.252 1.00 0.00 C ATOM 1461 CG TYR A 95 7.855 -8.649 -16.310 1.00 0.00 C ATOM 1462 CD1 TYR A 95 6.580 -8.886 -16.838 1.00 0.00 C ATOM 1463 CD2 TYR A 95 8.950 -9.394 -16.764 1.00 0.00 C ATOM 1464 CE1 TYR A 95 6.400 -9.867 -17.820 1.00 0.00 C ATOM 1465 CE2 TYR A 95 8.770 -10.376 -17.746 1.00 0.00 C ATOM 1466 CZ TYR A 95 7.494 -10.612 -18.274 1.00 0.00 C ATOM 1467 OH TYR A 95 7.317 -11.579 -19.241 1.00 0.00 O ATOM 0 H TYR A 95 6.667 -9.649 -15.114 1.00 0.00 H new ATOM 0 HA TYR A 95 7.879 -8.131 -13.184 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.756 -6.616 -15.641 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.101 -7.523 -14.980 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.735 -8.312 -16.487 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.934 -9.211 -16.357 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.416 -10.049 -18.227 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.614 -10.951 -18.096 1.00 0.00 H new ATOM 0 HH TYR A 95 8.178 -12.001 -19.443 1.00 0.00 H new ATOM 1477 N CYS A 96 6.524 -6.170 -12.524 1.00 0.00 N ATOM 1478 CA CYS A 96 5.689 -5.061 -12.092 1.00 0.00 C ATOM 1479 C CYS A 96 6.515 -3.927 -11.505 1.00 0.00 C ATOM 1480 O CYS A 96 7.533 -4.155 -10.851 1.00 0.00 O ATOM 1481 CB CYS A 96 4.702 -5.551 -11.032 1.00 0.00 C ATOM 1482 SG CYS A 96 5.601 -5.918 -9.504 1.00 0.00 S ATOM 0 H CYS A 96 7.270 -6.425 -11.876 1.00 0.00 H new ATOM 0 HA CYS A 96 5.161 -4.683 -12.967 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.942 -4.792 -10.847 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.183 -6.442 -11.386 1.00 0.00 H new ATOM 0 HG CYS A 96 6.774 -5.359 -9.546 1.00 0.00 H new ATOM 1488 N ASP A 97 6.039 -2.701 -11.707 1.00 0.00 N ATOM 1489 CA ASP A 97 6.714 -1.534 -11.156 1.00 0.00 C ATOM 1490 C ASP A 97 5.963 -1.091 -9.906 1.00 0.00 C ATOM 1491 O ASP A 97 4.750 -0.883 -9.948 1.00 0.00 O ATOM 1492 CB ASP A 97 6.736 -0.403 -12.190 1.00 0.00 C ATOM 1493 CG ASP A 97 6.678 0.952 -11.492 1.00 0.00 C ATOM 1494 OD1 ASP A 97 7.557 1.224 -10.691 1.00 0.00 O ATOM 1495 OD2 ASP A 97 5.755 1.701 -11.770 1.00 0.00 O ATOM 0 H ASP A 97 5.197 -2.493 -12.243 1.00 0.00 H new ATOM 0 HA ASP A 97 7.744 -1.783 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.641 -0.470 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.891 -0.506 -12.870 1.00 0.00 H new ATOM 1500 N LEU A 98 6.674 -0.972 -8.791 1.00 0.00 N ATOM 1501 CA LEU A 98 6.033 -0.584 -7.540 1.00 0.00 C ATOM 1502 C LEU A 98 6.674 0.658 -6.933 1.00 0.00 C ATOM 1503 O LEU A 98 7.878 0.883 -7.062 1.00 0.00 O ATOM 1504 CB LEU A 98 6.122 -1.726 -6.532 1.00 0.00 C ATOM 1505 CG LEU A 98 6.296 -3.067 -7.252 1.00 0.00 C ATOM 1506 CD1 LEU A 98 6.157 -4.178 -6.226 1.00 0.00 C ATOM 1507 CD2 LEU A 98 5.213 -3.251 -8.319 1.00 0.00 C ATOM 0 H LEU A 98 7.679 -1.136 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 98 4.991 -0.358 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.961 -1.558 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.220 -1.750 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 98 7.274 -3.092 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.277 -5.144 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.923 -4.063 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.171 -4.126 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.354 -4.209 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.230 -3.229 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.283 -2.446 -9.051 1.00 0.00 H new ATOM 1519 N GLN A 99 5.854 1.441 -6.245 1.00 0.00 N ATOM 1520 CA GLN A 99 6.324 2.646 -5.578 1.00 0.00 C ATOM 1521 C GLN A 99 5.969 2.561 -4.099 1.00 0.00 C ATOM 1522 O GLN A 99 4.846 2.203 -3.750 1.00 0.00 O ATOM 1523 CB GLN A 99 5.672 3.886 -6.195 1.00 0.00 C ATOM 1524 CG GLN A 99 5.763 3.808 -7.721 1.00 0.00 C ATOM 1525 CD GLN A 99 6.665 4.919 -8.245 1.00 0.00 C ATOM 1526 OE1 GLN A 99 6.549 6.125 -7.760 1.00 0.00 O flip ATOM 1527 NE2 GLN A 99 7.499 4.681 -9.119 1.00 0.00 N flip ATOM 0 H GLN A 99 4.856 1.261 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 99 7.404 2.727 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.629 3.953 -5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.169 4.787 -5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.156 2.837 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.769 3.898 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.587 3.737 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.102 5.427 -9.466 1.00 0.00 H new ATOM 1536 N TYR A 100 6.924 2.878 -3.235 1.00 0.00 N ATOM 1537 CA TYR A 100 6.685 2.813 -1.799 1.00 0.00 C ATOM 1538 C TYR A 100 7.509 3.843 -1.049 1.00 0.00 C ATOM 1539 O TYR A 100 8.414 4.469 -1.603 1.00 0.00 O ATOM 1540 CB TYR A 100 6.997 1.412 -1.243 1.00 0.00 C ATOM 1541 CG TYR A 100 8.493 1.154 -1.189 1.00 0.00 C ATOM 1542 CD1 TYR A 100 9.387 1.840 -2.028 1.00 0.00 C ATOM 1543 CD2 TYR A 100 8.984 0.198 -0.294 1.00 0.00 C ATOM 1544 CE1 TYR A 100 10.760 1.566 -1.959 1.00 0.00 C ATOM 1545 CE2 TYR A 100 10.354 -0.074 -0.232 1.00 0.00 C ATOM 1546 CZ TYR A 100 11.241 0.610 -1.064 1.00 0.00 C ATOM 1547 OH TYR A 100 12.594 0.341 -1.003 1.00 0.00 O ATOM 0 H TYR A 100 7.862 3.180 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 100 5.628 3.030 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.574 1.314 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.519 0.657 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 100 9.017 2.577 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.301 -0.333 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.448 2.097 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.726 -0.814 0.461 1.00 0.00 H new ATOM 0 HH TYR A 100 12.760 -0.349 -0.327 1.00 0.00 H new ATOM 1557 N ILE A 101 7.175 4.013 0.218 1.00 0.00 N ATOM 1558 CA ILE A 101 7.876 4.963 1.063 1.00 0.00 C ATOM 1559 C ILE A 101 7.787 4.516 2.518 1.00 0.00 C ATOM 1560 O ILE A 101 6.859 3.802 2.902 1.00 0.00 O ATOM 1561 CB ILE A 101 7.285 6.363 0.857 1.00 0.00 C ATOM 1562 CG1 ILE A 101 6.928 7.019 2.188 1.00 0.00 C ATOM 1563 CG2 ILE A 101 6.014 6.221 0.042 1.00 0.00 C ATOM 1564 CD1 ILE A 101 5.636 6.388 2.713 1.00 0.00 C ATOM 0 H ILE A 101 6.423 3.506 0.684 1.00 0.00 H new ATOM 0 HA ILE A 101 8.931 5.002 0.792 1.00 0.00 H new ATOM 0 HB ILE A 101 8.025 6.984 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.736 6.880 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.798 8.093 2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.573 7.205 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.248 5.766 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.306 5.590 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.368 6.847 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.834 6.549 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.786 5.318 2.856 1.00 0.00 H new ATOM 1576 N SER A 102 8.758 4.927 3.321 1.00 0.00 N ATOM 1577 CA SER A 102 8.766 4.548 4.724 1.00 0.00 C ATOM 1578 C SER A 102 7.822 5.439 5.518 1.00 0.00 C ATOM 1579 O SER A 102 7.924 6.665 5.475 1.00 0.00 O ATOM 1580 CB SER A 102 10.180 4.662 5.292 1.00 0.00 C ATOM 1581 OG SER A 102 10.707 5.946 4.988 1.00 0.00 O ATOM 0 H SER A 102 9.539 5.514 3.030 1.00 0.00 H new ATOM 0 HA SER A 102 8.430 3.514 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.164 4.509 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.818 3.885 4.869 1.00 0.00 H new ATOM 0 HG SER A 102 11.613 6.022 5.353 1.00 0.00 H new ATOM 1587 N LEU A 103 6.904 4.815 6.242 1.00 0.00 N ATOM 1588 CA LEU A 103 5.946 5.563 7.043 1.00 0.00 C ATOM 1589 C LEU A 103 6.674 6.607 7.878 1.00 0.00 C ATOM 1590 O LEU A 103 6.150 7.691 8.129 1.00 0.00 O ATOM 1591 CB LEU A 103 5.178 4.613 7.965 1.00 0.00 C ATOM 1592 CG LEU A 103 3.682 4.919 7.882 1.00 0.00 C ATOM 1593 CD1 LEU A 103 3.440 6.374 8.288 1.00 0.00 C ATOM 1594 CD2 LEU A 103 3.197 4.700 6.446 1.00 0.00 C ATOM 0 H LEU A 103 6.802 3.801 6.291 1.00 0.00 H new ATOM 0 HA LEU A 103 5.242 6.061 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.365 3.579 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.526 4.725 8.992 1.00 0.00 H new ATOM 0 HG LEU A 103 3.135 4.258 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.374 6.596 8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.788 6.529 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.985 7.035 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.131 4.918 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.742 5.362 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.373 3.664 6.157 1.00 0.00 H new ATOM 1606 N LYS A 104 7.897 6.283 8.284 1.00 0.00 N ATOM 1607 CA LYS A 104 8.697 7.216 9.064 1.00 0.00 C ATOM 1608 C LYS A 104 9.096 8.395 8.186 1.00 0.00 C ATOM 1609 O LYS A 104 9.172 9.535 8.645 1.00 0.00 O ATOM 1610 CB LYS A 104 9.953 6.521 9.596 1.00 0.00 C ATOM 1611 CG LYS A 104 9.580 5.149 10.160 1.00 0.00 C ATOM 1612 CD LYS A 104 10.737 4.614 11.005 1.00 0.00 C ATOM 1613 CE LYS A 104 10.464 3.155 11.377 1.00 0.00 C ATOM 1614 NZ LYS A 104 11.234 2.258 10.471 1.00 0.00 N ATOM 0 H LYS A 104 8.351 5.391 8.088 1.00 0.00 H new ATOM 0 HA LYS A 104 8.108 7.571 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.686 6.410 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.417 7.130 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.678 5.226 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.359 4.457 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.672 4.690 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.851 5.215 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.749 2.974 12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.398 2.942 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.048 1.267 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.942 2.425 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.250 2.456 10.569 1.00 0.00 H new ATOM 1628 N GLY A 105 9.343 8.102 6.911 1.00 0.00 N ATOM 1629 CA GLY A 105 9.726 9.128 5.953 1.00 0.00 C ATOM 1630 C GLY A 105 8.543 10.022 5.624 1.00 0.00 C ATOM 1631 O GLY A 105 8.667 11.245 5.590 1.00 0.00 O ATOM 0 H GLY A 105 9.284 7.162 6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.540 9.728 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.100 8.661 5.042 1.00 0.00 H new ATOM 1635 N LEU A 106 7.404 9.390 5.364 1.00 0.00 N ATOM 1636 CA LEU A 106 6.193 10.116 5.014 1.00 0.00 C ATOM 1637 C LEU A 106 5.645 10.902 6.193 1.00 0.00 C ATOM 1638 O LEU A 106 5.192 12.025 6.030 1.00 0.00 O ATOM 1639 CB LEU A 106 5.129 9.136 4.537 1.00 0.00 C ATOM 1640 CG LEU A 106 3.844 9.894 4.202 1.00 0.00 C ATOM 1641 CD1 LEU A 106 3.471 9.644 2.741 1.00 0.00 C ATOM 1642 CD2 LEU A 106 2.713 9.400 5.103 1.00 0.00 C ATOM 0 H LEU A 106 7.296 8.376 5.390 1.00 0.00 H new ATOM 0 HA LEU A 106 6.448 10.820 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.484 8.597 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.933 8.392 5.309 1.00 0.00 H new ATOM 0 HG LEU A 106 4.000 10.961 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.555 10.184 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.277 9.992 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.315 8.577 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.796 9.940 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.558 8.333 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.976 9.574 6.146 1.00 0.00 H new ATOM 1654 N ARG A 107 5.655 10.295 7.366 1.00 0.00 N ATOM 1655 CA ARG A 107 5.127 10.946 8.560 1.00 0.00 C ATOM 1656 C ARG A 107 6.000 12.108 9.023 1.00 0.00 C ATOM 1657 O ARG A 107 5.504 13.059 9.622 1.00 0.00 O ATOM 1658 CB ARG A 107 4.942 9.933 9.688 1.00 0.00 C ATOM 1659 CG ARG A 107 3.989 10.507 10.736 1.00 0.00 C ATOM 1660 CD ARG A 107 2.617 10.734 10.103 1.00 0.00 C ATOM 1661 NE ARG A 107 1.598 9.984 10.827 1.00 0.00 N ATOM 1662 CZ ARG A 107 1.171 10.380 12.021 1.00 0.00 C ATOM 1663 NH1 ARG A 107 1.662 11.462 12.562 1.00 0.00 N ATOM 1664 NH2 ARG A 107 0.264 9.688 12.654 1.00 0.00 N ATOM 0 H ARG A 107 6.021 9.356 7.521 1.00 0.00 H new ATOM 0 HA ARG A 107 4.155 11.361 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.544 8.999 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.904 9.701 10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.904 9.822 11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.382 11.446 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.374 11.797 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.634 10.423 9.058 1.00 0.00 H new ATOM 0 HE ARG A 107 1.206 9.140 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.372 12.002 12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.335 11.767 13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.118 8.842 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.063 9.993 13.571 1.00 0.00 H new ATOM 1678 N GLU A 108 7.290 12.025 8.756 1.00 0.00 N ATOM 1679 CA GLU A 108 8.213 13.088 9.166 1.00 0.00 C ATOM 1680 C GLU A 108 7.928 14.338 8.351 1.00 0.00 C ATOM 1681 O GLU A 108 7.671 15.420 8.888 1.00 0.00 O ATOM 1682 CB GLU A 108 9.659 12.644 8.940 1.00 0.00 C ATOM 1683 CG GLU A 108 10.602 13.568 9.711 1.00 0.00 C ATOM 1684 CD GLU A 108 10.636 13.168 11.182 1.00 0.00 C ATOM 1685 OE1 GLU A 108 10.459 11.994 11.460 1.00 0.00 O ATOM 1686 OE2 GLU A 108 10.838 14.042 12.009 1.00 0.00 O ATOM 0 H GLU A 108 7.727 11.246 8.263 1.00 0.00 H new ATOM 0 HA GLU A 108 8.072 13.300 10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.790 11.614 9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.897 12.669 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.605 13.513 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.271 14.602 9.614 1.00 0.00 H new ATOM 1693 N VAL A 109 7.928 14.154 7.046 1.00 0.00 N ATOM 1694 CA VAL A 109 7.624 15.231 6.123 1.00 0.00 C ATOM 1695 C VAL A 109 6.247 15.777 6.483 1.00 0.00 C ATOM 1696 O VAL A 109 6.022 16.992 6.607 1.00 0.00 O ATOM 1697 CB VAL A 109 7.645 14.658 4.700 1.00 0.00 C ATOM 1698 CG1 VAL A 109 9.097 14.445 4.274 1.00 0.00 C ATOM 1699 CG2 VAL A 109 6.924 13.320 4.672 1.00 0.00 C ATOM 0 H VAL A 109 8.137 13.262 6.597 1.00 0.00 H new ATOM 0 HA VAL A 109 8.351 16.041 6.182 1.00 0.00 H new ATOM 0 HB VAL A 109 7.148 15.352 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.124 14.038 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.626 15.398 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.579 13.747 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.942 12.918 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.422 12.624 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.890 13.457 4.989 1.00 0.00 H new ATOM 1709 N LEU A 110 5.339 14.850 6.711 1.00 0.00 N ATOM 1710 CA LEU A 110 3.996 15.192 7.118 1.00 0.00 C ATOM 1711 C LEU A 110 4.047 15.925 8.453 1.00 0.00 C ATOM 1712 O LEU A 110 3.192 16.763 8.745 1.00 0.00 O ATOM 1713 CB LEU A 110 3.192 13.905 7.227 1.00 0.00 C ATOM 1714 CG LEU A 110 2.221 13.781 6.052 1.00 0.00 C ATOM 1715 CD1 LEU A 110 2.977 13.837 4.726 1.00 0.00 C ATOM 1716 CD2 LEU A 110 1.511 12.436 6.144 1.00 0.00 C ATOM 0 H LEU A 110 5.511 13.849 6.620 1.00 0.00 H new ATOM 0 HA LEU A 110 3.521 15.850 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.866 13.048 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.639 13.893 8.166 1.00 0.00 H new ATOM 0 HG LEU A 110 1.507 14.604 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.271 13.747 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.507 14.787 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.694 13.017 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.815 12.334 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.247 11.633 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.963 12.377 7.084 1.00 0.00 H new ATOM 1728 N ARG A 111 5.080 15.635 9.245 1.00 0.00 N ATOM 1729 CA ARG A 111 5.246 16.311 10.523 1.00 0.00 C ATOM 1730 C ARG A 111 5.262 17.804 10.263 1.00 0.00 C ATOM 1731 O ARG A 111 4.691 18.590 11.019 1.00 0.00 O ATOM 1732 CB ARG A 111 6.553 15.884 11.197 1.00 0.00 C ATOM 1733 CG ARG A 111 6.451 16.115 12.708 1.00 0.00 C ATOM 1734 CD ARG A 111 7.609 15.406 13.415 1.00 0.00 C ATOM 1735 NE ARG A 111 7.869 16.026 14.710 1.00 0.00 N ATOM 1736 CZ ARG A 111 7.320 15.550 15.825 1.00 0.00 C ATOM 1737 NH1 ARG A 111 6.537 14.508 15.773 1.00 0.00 N ATOM 1738 NH2 ARG A 111 7.567 16.125 16.970 1.00 0.00 N ATOM 0 H ARG A 111 5.801 14.948 9.026 1.00 0.00 H new ATOM 0 HA ARG A 111 4.425 16.047 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.753 14.832 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.388 16.453 10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.478 17.183 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.499 15.738 13.080 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.370 14.351 13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.505 15.452 12.796 1.00 0.00 H new ATOM 0 HE ARG A 111 8.483 16.839 14.762 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.346 14.058 14.878 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.116 14.143 16.628 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.181 16.939 17.010 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.146 15.761 17.825 1.00 0.00 H new ATOM 1752 N LEU A 112 5.891 18.181 9.152 1.00 0.00 N ATOM 1753 CA LEU A 112 5.937 19.580 8.764 1.00 0.00 C ATOM 1754 C LEU A 112 4.508 20.046 8.531 1.00 0.00 C ATOM 1755 O LEU A 112 4.169 21.206 8.760 1.00 0.00 O ATOM 1756 CB LEU A 112 6.762 19.754 7.487 1.00 0.00 C ATOM 1757 CG LEU A 112 8.129 19.091 7.669 1.00 0.00 C ATOM 1758 CD1 LEU A 112 9.095 19.605 6.597 1.00 0.00 C ATOM 1759 CD2 LEU A 112 8.680 19.431 9.057 1.00 0.00 C ATOM 0 H LEU A 112 6.369 17.543 8.515 1.00 0.00 H new ATOM 0 HA LEU A 112 6.408 20.172 9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.240 19.309 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.887 20.813 7.263 1.00 0.00 H new ATOM 0 HG LEU A 112 8.023 18.010 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.068 19.132 6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.704 19.363 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.201 20.686 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.654 18.959 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 112 8.785 20.512 9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.994 19.064 9.821 1.00 0.00 H new ATOM 1771 N TYR A 113 3.670 19.101 8.106 1.00 0.00 N ATOM 1772 CA TYR A 113 2.248 19.377 7.877 1.00 0.00 C ATOM 1773 C TYR A 113 1.406 18.510 8.819 1.00 0.00 C ATOM 1774 O TYR A 113 0.920 17.452 8.430 1.00 0.00 O ATOM 1775 CB TYR A 113 1.879 19.066 6.424 1.00 0.00 C ATOM 1776 CG TYR A 113 1.592 20.353 5.686 1.00 0.00 C ATOM 1777 CD1 TYR A 113 0.331 20.954 5.792 1.00 0.00 C ATOM 1778 CD2 TYR A 113 2.585 20.943 4.896 1.00 0.00 C ATOM 1779 CE1 TYR A 113 0.064 22.145 5.108 1.00 0.00 C ATOM 1780 CE2 TYR A 113 2.318 22.136 4.212 1.00 0.00 C ATOM 1781 CZ TYR A 113 1.058 22.736 4.318 1.00 0.00 C ATOM 1782 OH TYR A 113 0.792 23.910 3.642 1.00 0.00 O ATOM 0 H TYR A 113 3.948 18.139 7.913 1.00 0.00 H new ATOM 0 HA TYR A 113 2.051 20.431 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 113 2.695 18.531 5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 113 1.006 18.414 6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -0.435 20.498 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.557 20.479 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.908 22.608 5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.084 22.593 3.603 1.00 0.00 H new ATOM 0 HH TYR A 113 1.503 24.560 3.822 1.00 0.00 H new ATOM 1792 N PRO A 114 1.267 18.922 10.054 1.00 0.00 N ATOM 1793 CA PRO A 114 0.520 18.155 11.106 1.00 0.00 C ATOM 1794 C PRO A 114 -0.975 17.949 10.833 1.00 0.00 C ATOM 1795 O PRO A 114 -1.508 16.875 11.108 1.00 0.00 O ATOM 1796 CB PRO A 114 0.704 18.985 12.383 1.00 0.00 C ATOM 1797 CG PRO A 114 1.805 19.953 12.097 1.00 0.00 C ATOM 1798 CD PRO A 114 1.810 20.175 10.590 1.00 0.00 C ATOM 0 HA PRO A 114 0.915 17.140 11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.216 19.508 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.957 18.346 13.229 1.00 0.00 H new ATOM 0 HG2 PRO A 114 1.642 20.892 12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 114 2.764 19.559 12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 114 1.196 21.031 10.309 1.00 0.00 H new ATOM 0 HD3 PRO A 114 2.816 20.368 10.217 1.00 0.00 H new ATOM 1806 N GLU A 115 -1.662 18.970 10.334 1.00 0.00 N ATOM 1807 CA GLU A 115 -3.100 18.836 10.096 1.00 0.00 C ATOM 1808 C GLU A 115 -3.384 17.862 8.960 1.00 0.00 C ATOM 1809 O GLU A 115 -4.152 16.907 9.115 1.00 0.00 O ATOM 1810 CB GLU A 115 -3.699 20.203 9.758 1.00 0.00 C ATOM 1811 CG GLU A 115 -3.155 21.257 10.726 1.00 0.00 C ATOM 1812 CD GLU A 115 -2.451 22.364 9.949 1.00 0.00 C ATOM 1813 OE1 GLU A 115 -2.859 22.627 8.830 1.00 0.00 O ATOM 1814 OE2 GLU A 115 -1.514 22.934 10.483 1.00 0.00 O ATOM 0 H GLU A 115 -1.264 19.877 10.091 1.00 0.00 H new ATOM 0 HA GLU A 115 -3.557 18.446 11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.452 20.476 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.786 20.161 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.970 21.677 11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.460 20.795 11.427 1.00 0.00 H new ATOM 1821 N TYR A 116 -2.749 18.094 7.825 1.00 0.00 N ATOM 1822 CA TYR A 116 -2.933 17.227 6.676 1.00 0.00 C ATOM 1823 C TYR A 116 -2.335 15.860 6.959 1.00 0.00 C ATOM 1824 O TYR A 116 -2.829 14.837 6.486 1.00 0.00 O ATOM 1825 CB TYR A 116 -2.268 17.845 5.449 1.00 0.00 C ATOM 1826 CG TYR A 116 -3.278 18.699 4.722 1.00 0.00 C ATOM 1827 CD1 TYR A 116 -4.453 18.120 4.229 1.00 0.00 C ATOM 1828 CD2 TYR A 116 -3.045 20.068 4.549 1.00 0.00 C ATOM 1829 CE1 TYR A 116 -5.396 18.911 3.562 1.00 0.00 C ATOM 1830 CE2 TYR A 116 -3.988 20.859 3.881 1.00 0.00 C ATOM 1831 CZ TYR A 116 -5.163 20.280 3.388 1.00 0.00 C ATOM 1832 OH TYR A 116 -6.093 21.061 2.731 1.00 0.00 O ATOM 0 H TYR A 116 -2.105 18.871 7.675 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.999 17.113 6.482 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -1.411 18.448 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.892 17.062 4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -4.632 17.063 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.138 20.514 4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.303 18.465 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -3.809 21.915 3.746 1.00 0.00 H new ATOM 0 HH TYR A 116 -5.777 21.988 2.698 1.00 0.00 H new ATOM 1842 N ALA A 117 -1.255 15.862 7.727 1.00 0.00 N ATOM 1843 CA ALA A 117 -0.564 14.634 8.072 1.00 0.00 C ATOM 1844 C ALA A 117 -1.463 13.661 8.810 1.00 0.00 C ATOM 1845 O ALA A 117 -1.685 12.542 8.351 1.00 0.00 O ATOM 1846 CB ALA A 117 0.632 14.975 8.947 1.00 0.00 C ATOM 0 H ALA A 117 -0.839 16.705 8.123 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.247 14.152 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.161 14.060 9.214 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.305 15.637 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.289 15.473 9.854 1.00 0.00 H new ATOM 1852 N GLN A 118 -1.983 14.083 9.947 1.00 0.00 N ATOM 1853 CA GLN A 118 -2.855 13.216 10.709 1.00 0.00 C ATOM 1854 C GLN A 118 -3.953 12.711 9.789 1.00 0.00 C ATOM 1855 O GLN A 118 -4.442 11.590 9.931 1.00 0.00 O ATOM 1856 CB GLN A 118 -3.458 13.991 11.879 1.00 0.00 C ATOM 1857 CG GLN A 118 -2.358 14.378 12.869 1.00 0.00 C ATOM 1858 CD GLN A 118 -1.544 13.150 13.262 1.00 0.00 C ATOM 1859 OE1 GLN A 118 -0.546 12.773 12.512 1.00 0.00 O flip ATOM 1860 NE2 GLN A 118 -1.825 12.519 14.281 1.00 0.00 N flip ATOM 0 H GLN A 118 -1.820 15.003 10.356 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.293 12.372 11.109 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.961 14.886 11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.212 13.383 12.379 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.705 15.128 12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.801 14.829 13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.606 12.816 14.866 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.277 11.699 14.541 1.00 0.00 H new ATOM 1869 N LYS A 119 -4.312 13.551 8.829 1.00 0.00 N ATOM 1870 CA LYS A 119 -5.332 13.207 7.849 1.00 0.00 C ATOM 1871 C LYS A 119 -4.809 12.192 6.824 1.00 0.00 C ATOM 1872 O LYS A 119 -5.595 11.474 6.206 1.00 0.00 O ATOM 1873 CB LYS A 119 -5.800 14.466 7.118 1.00 0.00 C ATOM 1874 CG LYS A 119 -7.276 14.317 6.739 1.00 0.00 C ATOM 1875 CD LYS A 119 -7.746 15.577 6.007 1.00 0.00 C ATOM 1876 CE LYS A 119 -8.970 15.244 5.153 1.00 0.00 C ATOM 1877 NZ LYS A 119 -9.940 14.453 5.960 1.00 0.00 N ATOM 0 H LYS A 119 -3.910 14.480 8.708 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.166 12.755 8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.663 15.341 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.198 14.625 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.412 13.442 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.878 14.158 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.993 16.358 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.945 15.965 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.439 16.162 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.668 14.679 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.880 14.499 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.627 13.462 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.992 14.844 6.922 1.00 0.00 H new ATOM 1891 N PHE A 120 -3.489 12.163 6.606 1.00 0.00 N ATOM 1892 CA PHE A 120 -2.913 11.265 5.608 1.00 0.00 C ATOM 1893 C PHE A 120 -3.259 9.802 5.863 1.00 0.00 C ATOM 1894 O PHE A 120 -3.544 9.056 4.927 1.00 0.00 O ATOM 1895 CB PHE A 120 -1.395 11.455 5.567 1.00 0.00 C ATOM 1896 CG PHE A 120 -0.671 10.192 5.991 1.00 0.00 C ATOM 1897 CD1 PHE A 120 -0.489 9.143 5.077 1.00 0.00 C ATOM 1898 CD2 PHE A 120 -0.154 10.084 7.288 1.00 0.00 C ATOM 1899 CE1 PHE A 120 0.206 7.996 5.461 1.00 0.00 C ATOM 1900 CE2 PHE A 120 0.537 8.931 7.673 1.00 0.00 C ATOM 1901 CZ PHE A 120 0.719 7.887 6.760 1.00 0.00 C ATOM 0 H PHE A 120 -2.811 12.743 7.101 1.00 0.00 H new ATOM 0 HA PHE A 120 -3.348 11.524 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -1.088 11.732 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -1.111 12.277 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.887 9.224 4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -0.289 10.892 7.992 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.349 7.191 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.930 8.846 8.675 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.255 6.997 7.056 1.00 0.00 H new ATOM 1911 N VAL A 121 -3.209 9.385 7.117 1.00 0.00 N ATOM 1912 CA VAL A 121 -3.494 7.996 7.440 1.00 0.00 C ATOM 1913 C VAL A 121 -4.835 7.560 6.854 1.00 0.00 C ATOM 1914 O VAL A 121 -4.995 6.412 6.437 1.00 0.00 O ATOM 1915 CB VAL A 121 -3.512 7.799 8.957 1.00 0.00 C ATOM 1916 CG1 VAL A 121 -2.181 8.260 9.555 1.00 0.00 C ATOM 1917 CG2 VAL A 121 -4.653 8.619 9.564 1.00 0.00 C ATOM 0 H VAL A 121 -2.978 9.976 7.916 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.707 7.382 7.002 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.661 6.743 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.199 8.118 10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.367 7.676 9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.027 9.316 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.667 8.479 10.645 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.504 9.674 9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.603 8.288 9.143 1.00 0.00 H new ATOM 1927 N SER A 122 -5.794 8.476 6.828 1.00 0.00 N ATOM 1928 CA SER A 122 -7.117 8.169 6.294 1.00 0.00 C ATOM 1929 C SER A 122 -7.159 8.375 4.780 1.00 0.00 C ATOM 1930 O SER A 122 -7.939 7.732 4.079 1.00 0.00 O ATOM 1931 CB SER A 122 -8.165 9.063 6.955 1.00 0.00 C ATOM 1932 OG SER A 122 -9.451 8.737 6.444 1.00 0.00 O ATOM 0 H SER A 122 -5.684 9.431 7.167 1.00 0.00 H new ATOM 0 HA SER A 122 -7.334 7.123 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.146 8.927 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.939 10.112 6.761 1.00 0.00 H new ATOM 0 HG SER A 122 -10.126 9.308 6.867 1.00 0.00 H new ATOM 1938 N GLU A 123 -6.326 9.285 4.285 1.00 0.00 N ATOM 1939 CA GLU A 123 -6.290 9.578 2.855 1.00 0.00 C ATOM 1940 C GLU A 123 -5.911 8.344 2.039 1.00 0.00 C ATOM 1941 O GLU A 123 -6.527 8.060 1.012 1.00 0.00 O ATOM 1942 CB GLU A 123 -5.286 10.697 2.576 1.00 0.00 C ATOM 1943 CG GLU A 123 -5.813 12.014 3.151 1.00 0.00 C ATOM 1944 CD GLU A 123 -4.676 13.022 3.268 1.00 0.00 C ATOM 1945 OE1 GLU A 123 -3.720 12.895 2.520 1.00 0.00 O ATOM 1946 OE2 GLU A 123 -4.776 13.904 4.103 1.00 0.00 O ATOM 0 H GLU A 123 -5.671 9.829 4.847 1.00 0.00 H new ATOM 0 HA GLU A 123 -7.290 9.893 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.322 10.454 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.125 10.796 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.599 12.412 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.259 11.841 4.130 1.00 0.00 H new ATOM 1953 N ILE A 124 -4.887 7.622 2.486 1.00 0.00 N ATOM 1954 CA ILE A 124 -4.435 6.439 1.771 1.00 0.00 C ATOM 1955 C ILE A 124 -5.577 5.439 1.572 1.00 0.00 C ATOM 1956 O ILE A 124 -5.673 4.788 0.532 1.00 0.00 O ATOM 1957 CB ILE A 124 -3.316 5.762 2.564 1.00 0.00 C ATOM 1958 CG1 ILE A 124 -2.324 5.124 1.588 1.00 0.00 C ATOM 1959 CG2 ILE A 124 -3.910 4.692 3.489 1.00 0.00 C ATOM 1960 CD1 ILE A 124 -1.850 3.764 2.117 1.00 0.00 C ATOM 0 H ILE A 124 -4.360 7.835 3.333 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.073 6.753 0.792 1.00 0.00 H new ATOM 0 HB ILE A 124 -2.797 6.502 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.794 4.998 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -1.468 5.784 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.109 4.212 4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.611 5.158 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.432 3.944 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -1.145 3.324 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.361 3.899 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.707 3.101 2.235 1.00 0.00 H new ATOM 1972 N GLN A 125 -6.422 5.306 2.591 1.00 0.00 N ATOM 1973 CA GLN A 125 -7.533 4.367 2.547 1.00 0.00 C ATOM 1974 C GLN A 125 -8.313 4.470 1.241 1.00 0.00 C ATOM 1975 O GLN A 125 -8.870 3.482 0.766 1.00 0.00 O ATOM 1976 CB GLN A 125 -8.453 4.640 3.717 1.00 0.00 C ATOM 1977 CG GLN A 125 -7.640 4.559 5.001 1.00 0.00 C ATOM 1978 CD GLN A 125 -6.710 3.350 4.977 1.00 0.00 C ATOM 1979 OE1 GLN A 125 -7.117 2.261 4.571 1.00 0.00 O ATOM 1980 NE2 GLN A 125 -5.479 3.473 5.391 1.00 0.00 N ATOM 0 H GLN A 125 -6.356 5.839 3.458 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.130 3.356 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -8.908 5.625 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -9.266 3.914 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.056 5.471 5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.310 4.491 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.142 4.375 5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -4.854 2.667 5.378 1.00 0.00 H new ATOM 1989 N HIS A 126 -8.353 5.663 0.668 1.00 0.00 N ATOM 1990 CA HIS A 126 -9.077 5.863 -0.580 1.00 0.00 C ATOM 1991 C HIS A 126 -8.528 4.949 -1.673 1.00 0.00 C ATOM 1992 O HIS A 126 -9.190 4.712 -2.683 1.00 0.00 O ATOM 1993 CB HIS A 126 -8.965 7.315 -1.023 1.00 0.00 C ATOM 1994 CG HIS A 126 -9.351 7.432 -2.473 1.00 0.00 C ATOM 1995 ND1 HIS A 126 -8.408 7.527 -3.484 1.00 0.00 N ATOM 1996 CD2 HIS A 126 -10.575 7.469 -3.095 1.00 0.00 C ATOM 1997 CE1 HIS A 126 -9.072 7.616 -4.651 1.00 0.00 C ATOM 1998 NE2 HIS A 126 -10.396 7.585 -4.471 1.00 0.00 N ATOM 0 H HIS A 126 -7.900 6.498 1.040 1.00 0.00 H new ATOM 0 HA HIS A 126 -10.125 5.617 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -9.613 7.943 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -7.946 7.672 -0.878 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -7.395 7.529 -3.365 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.530 7.416 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.593 7.702 -5.615 1.00 0.00 H new ATOM 2007 N ASP A 127 -7.313 4.447 -1.471 1.00 0.00 N ATOM 2008 CA ASP A 127 -6.689 3.569 -2.458 1.00 0.00 C ATOM 2009 C ASP A 127 -6.338 2.208 -1.855 1.00 0.00 C ATOM 2010 O ASP A 127 -5.483 1.494 -2.378 1.00 0.00 O ATOM 2011 CB ASP A 127 -5.429 4.235 -3.006 1.00 0.00 C ATOM 2012 CG ASP A 127 -5.762 5.636 -3.509 1.00 0.00 C ATOM 2013 OD1 ASP A 127 -6.358 6.388 -2.755 1.00 0.00 O ATOM 2014 OD2 ASP A 127 -5.418 5.936 -4.640 1.00 0.00 O ATOM 0 H ASP A 127 -6.746 4.630 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.402 3.402 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -4.668 4.289 -2.228 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -5.014 3.637 -3.817 1.00 0.00 H new ATOM 2019 N LEU A 128 -6.992 1.860 -0.752 1.00 0.00 N ATOM 2020 CA LEU A 128 -6.729 0.586 -0.085 1.00 0.00 C ATOM 2021 C LEU A 128 -7.291 -0.586 -0.889 1.00 0.00 C ATOM 2022 O LEU A 128 -8.506 -0.762 -0.977 1.00 0.00 O ATOM 2023 CB LEU A 128 -7.360 0.596 1.309 1.00 0.00 C ATOM 2024 CG LEU A 128 -7.245 -0.793 1.938 1.00 0.00 C ATOM 2025 CD1 LEU A 128 -5.770 -1.187 2.041 1.00 0.00 C ATOM 2026 CD2 LEU A 128 -7.864 -0.768 3.337 1.00 0.00 C ATOM 0 H LEU A 128 -7.703 2.436 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.649 0.461 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.862 1.333 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.408 0.890 1.242 1.00 0.00 H new ATOM 0 HG LEU A 128 -7.771 -1.519 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -5.688 -2.177 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.327 -1.202 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.242 -0.463 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.784 -1.757 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.336 -0.043 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.915 -0.486 3.265 1.00 0.00 H new ATOM 2038 N THR A 129 -6.399 -1.393 -1.463 1.00 0.00 N ATOM 2039 CA THR A 129 -6.825 -2.550 -2.245 1.00 0.00 C ATOM 2040 C THR A 129 -6.585 -3.842 -1.467 1.00 0.00 C ATOM 2041 O THR A 129 -7.493 -4.661 -1.319 1.00 0.00 O ATOM 2042 CB THR A 129 -6.070 -2.599 -3.574 1.00 0.00 C ATOM 2043 OG1 THR A 129 -6.719 -1.754 -4.513 1.00 0.00 O ATOM 2044 CG2 THR A 129 -6.056 -4.036 -4.102 1.00 0.00 C ATOM 0 H THR A 129 -5.389 -1.268 -1.402 1.00 0.00 H new ATOM 0 HA THR A 129 -7.892 -2.453 -2.444 1.00 0.00 H new ATOM 0 HB THR A 129 -5.045 -2.260 -3.425 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.237 -1.781 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 129 -5.518 -4.070 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.560 -4.684 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 129 -7.080 -4.378 -4.254 1.00 0.00 H new ATOM 2052 N TYR A 130 -5.363 -4.022 -0.970 1.00 0.00 N ATOM 2053 CA TYR A 130 -5.036 -5.222 -0.209 1.00 0.00 C ATOM 2054 C TYR A 130 -4.318 -4.846 1.078 1.00 0.00 C ATOM 2055 O TYR A 130 -3.232 -4.267 1.049 1.00 0.00 O ATOM 2056 CB TYR A 130 -4.143 -6.151 -1.039 1.00 0.00 C ATOM 2057 CG TYR A 130 -4.449 -7.589 -0.682 1.00 0.00 C ATOM 2058 CD1 TYR A 130 -5.472 -8.272 -1.352 1.00 0.00 C ATOM 2059 CD2 TYR A 130 -3.713 -8.241 0.320 1.00 0.00 C ATOM 2060 CE1 TYR A 130 -5.761 -9.601 -1.023 1.00 0.00 C ATOM 2061 CE2 TYR A 130 -4.004 -9.571 0.648 1.00 0.00 C ATOM 2062 CZ TYR A 130 -5.028 -10.250 -0.023 1.00 0.00 C ATOM 2063 OH TYR A 130 -5.314 -11.561 0.301 1.00 0.00 O ATOM 0 H TYR A 130 -4.594 -3.361 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.964 -5.740 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -4.314 -5.984 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -3.093 -5.932 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.039 -7.772 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -2.923 -7.717 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.550 -10.126 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -3.438 -10.073 1.419 1.00 0.00 H new ATOM 0 HH TYR A 130 -4.564 -11.946 0.801 1.00 0.00 H new ATOM 2073 N ASN A 131 -4.935 -5.176 2.207 1.00 0.00 N ATOM 2074 CA ASN A 131 -4.347 -4.863 3.501 1.00 0.00 C ATOM 2075 C ASN A 131 -3.590 -6.065 4.052 1.00 0.00 C ATOM 2076 O ASN A 131 -4.191 -7.056 4.469 1.00 0.00 O ATOM 2077 CB ASN A 131 -5.438 -4.433 4.487 1.00 0.00 C ATOM 2078 CG ASN A 131 -6.045 -5.653 5.173 1.00 0.00 C ATOM 2079 OD1 ASN A 131 -5.921 -5.792 6.465 1.00 0.00 O flip ATOM 2080 ND2 ASN A 131 -6.647 -6.501 4.515 1.00 0.00 N flip ATOM 0 H ASN A 131 -5.834 -5.656 2.252 1.00 0.00 H new ATOM 0 HA ASN A 131 -3.643 -4.041 3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -5.017 -3.760 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -6.215 -3.879 3.960 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -6.743 -6.390 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -7.050 -7.315 4.979 1.00 0.00 H new ATOM 2087 N LEU A 132 -2.265 -5.973 4.058 1.00 0.00 N ATOM 2088 CA LEU A 132 -1.449 -7.062 4.571 1.00 0.00 C ATOM 2089 C LEU A 132 -1.368 -6.959 6.093 1.00 0.00 C ATOM 2090 O LEU A 132 -0.825 -5.992 6.630 1.00 0.00 O ATOM 2091 CB LEU A 132 -0.046 -6.987 3.953 1.00 0.00 C ATOM 2092 CG LEU A 132 0.862 -8.074 4.546 1.00 0.00 C ATOM 2093 CD1 LEU A 132 1.400 -7.631 5.911 1.00 0.00 C ATOM 2094 CD2 LEU A 132 0.072 -9.376 4.707 1.00 0.00 C ATOM 0 H LEU A 132 -1.741 -5.167 3.718 1.00 0.00 H new ATOM 0 HA LEU A 132 -1.898 -8.019 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.111 -7.110 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.387 -6.004 4.137 1.00 0.00 H new ATOM 0 HG LEU A 132 1.701 -8.237 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.042 -8.411 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.975 -6.712 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.566 -7.454 6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.720 -10.145 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.773 -9.208 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.293 -9.703 3.733 1.00 0.00 H new ATOM 2106 N ARG A 133 -1.923 -7.950 6.783 1.00 0.00 N ATOM 2107 CA ARG A 133 -1.923 -7.953 8.244 1.00 0.00 C ATOM 2108 C ARG A 133 -0.881 -8.919 8.793 1.00 0.00 C ATOM 2109 O ARG A 133 -0.526 -9.904 8.145 1.00 0.00 O ATOM 2110 CB ARG A 133 -3.308 -8.340 8.764 1.00 0.00 C ATOM 2111 CG ARG A 133 -4.313 -7.243 8.405 1.00 0.00 C ATOM 2112 CD ARG A 133 -5.082 -6.821 9.657 1.00 0.00 C ATOM 2113 NE ARG A 133 -4.156 -6.498 10.736 1.00 0.00 N ATOM 2114 CZ ARG A 133 -4.577 -6.397 11.993 1.00 0.00 C ATOM 2115 NH1 ARG A 133 -5.835 -6.595 12.276 1.00 0.00 N ATOM 2116 NH2 ARG A 133 -3.733 -6.101 12.943 1.00 0.00 N ATOM 0 H ARG A 133 -2.377 -8.758 6.358 1.00 0.00 H new ATOM 0 HA ARG A 133 -1.671 -6.948 8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -3.619 -9.290 8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -3.276 -8.480 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.793 -6.385 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -5.006 -7.605 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -5.707 -5.956 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -5.749 -7.624 9.970 1.00 0.00 H new ATOM 0 HE ARG A 133 -3.170 -6.347 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -6.494 -6.827 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -6.159 -6.518 13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.749 -5.947 12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -4.057 -6.024 13.907 1.00 0.00 H new ATOM 2130 N GLU A 134 -0.397 -8.630 9.996 1.00 0.00 N ATOM 2131 CA GLU A 134 0.600 -9.479 10.631 1.00 0.00 C ATOM 2132 C GLU A 134 -0.012 -10.814 11.043 1.00 0.00 C ATOM 2133 O GLU A 134 -1.175 -10.880 11.437 1.00 0.00 O ATOM 2134 CB GLU A 134 1.180 -8.778 11.861 1.00 0.00 C ATOM 2135 CG GLU A 134 0.049 -8.138 12.666 1.00 0.00 C ATOM 2136 CD GLU A 134 0.532 -7.806 14.073 1.00 0.00 C ATOM 2137 OE1 GLU A 134 1.101 -8.682 14.705 1.00 0.00 O ATOM 2138 OE2 GLU A 134 0.327 -6.681 14.500 1.00 0.00 O ATOM 0 H GLU A 134 -0.678 -7.819 10.547 1.00 0.00 H new ATOM 0 HA GLU A 134 1.397 -9.667 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.720 -9.495 12.480 1.00 0.00 H new ATOM 0 HB3 GLU A 134 1.898 -8.017 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.295 -7.232 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.802 -8.817 12.716 1.00 0.00 H new ATOM 2145 N GLY A 135 0.784 -11.874 10.947 1.00 0.00 N ATOM 2146 CA GLY A 135 0.313 -13.207 11.311 1.00 0.00 C ATOM 2147 C GLY A 135 -0.547 -13.803 10.202 1.00 0.00 C ATOM 2148 O GLY A 135 -0.328 -14.936 9.774 1.00 0.00 O ATOM 0 H GLY A 135 1.751 -11.838 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 135 1.166 -13.858 11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -0.263 -13.154 12.235 1.00 0.00 H new TER 2152 GLY A 135