USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 85 SER OG : rot 19:sc= 0.843 USER MOD Set 1.2: A 95 ASN : amide:sc= -1.97 K(o=-1.1,f=-4.4!) USER MOD Set 2.1: A 68 SER OG : rot -72:sc= -0.308 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.487 K(o=0.18,f=-0.53) USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot 111:sc= 1.55 USER MOD Single : A 4 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.06) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 15 THR OG1 : rot 88:sc= 0.781 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00481) USER MOD Single : A 21 GLN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.35) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.792 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00515 USER MOD Single : A 66 GLN : amide:sc= -0.529 K(o=-0.53,f=-1) USER MOD Single : A 67 MET CE :methyl 172:sc= -3.02! (180deg=-3.32!) USER MOD Single : A 74 LYS NZ :NH3+ -142:sc= -1.12 (180deg=-2.88!) USER MOD Single : A 77 CYS SG : rot 140:sc= -0.017 USER MOD Single : A 78 SER OG : rot 180:sc= -0.398 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -28:sc= 1.59 USER MOD Single : A 88 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-0.72) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 1.076 -0.451 -3.399 1.00 0.00 N ATOM 19 CA GLY A 2 0.487 -1.288 -4.427 1.00 0.00 C ATOM 20 C GLY A 2 -1.027 -1.302 -4.367 1.00 0.00 C ATOM 21 O GLY A 2 -1.691 -1.683 -5.332 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.805 -0.932 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.861 -2.306 -4.320 1.00 0.00 H new ATOM 25 N VAL A 3 -1.577 -0.888 -3.230 1.00 0.00 N ATOM 26 CA VAL A 3 -3.023 -0.855 -3.047 1.00 0.00 C ATOM 27 C VAL A 3 -3.428 0.240 -2.067 1.00 0.00 C ATOM 28 O VAL A 3 -2.961 0.270 -0.928 1.00 0.00 O ATOM 29 CB VAL A 3 -3.555 -2.207 -2.538 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.836 -2.618 -1.262 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.058 -2.137 -2.312 1.00 0.00 C ATOM 0 H VAL A 3 -1.043 -0.571 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.461 -0.645 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.359 -2.964 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.225 -3.576 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.768 -2.710 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.999 -1.862 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.417 -3.101 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.279 -1.368 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.556 -1.891 -3.250 1.00 0.00 H new ATOM 41 N GLN A 4 -4.299 1.138 -2.517 1.00 0.00 N ATOM 42 CA GLN A 4 -4.766 2.235 -1.679 1.00 0.00 C ATOM 43 C GLN A 4 -6.288 2.233 -1.578 1.00 0.00 C ATOM 44 O GLN A 4 -6.983 1.861 -2.524 1.00 0.00 O ATOM 45 CB GLN A 4 -4.282 3.574 -2.238 1.00 0.00 C ATOM 46 CG GLN A 4 -2.978 4.055 -1.622 1.00 0.00 C ATOM 47 CD GLN A 4 -1.805 3.158 -1.963 1.00 0.00 C ATOM 48 OE1 GLN A 4 -1.535 2.887 -3.133 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.100 2.690 -0.939 1.00 0.00 N ATOM 0 H GLN A 4 -4.695 1.127 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.353 2.096 -0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.153 3.483 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.052 4.327 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.769 5.067 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.089 4.105 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.359 2.940 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.300 2.081 -1.107 1.00 0.00 H new ATOM 58 N VAL A 5 -6.800 2.651 -0.425 1.00 0.00 N ATOM 59 CA VAL A 5 -8.240 2.698 -0.200 1.00 0.00 C ATOM 60 C VAL A 5 -8.684 4.092 0.229 1.00 0.00 C ATOM 61 O VAL A 5 -8.217 4.621 1.238 1.00 0.00 O ATOM 62 CB VAL A 5 -8.675 1.680 0.870 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.898 1.897 2.160 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.173 1.775 1.118 1.00 0.00 C ATOM 0 H VAL A 5 -6.239 2.962 0.368 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.716 2.444 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.453 0.677 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.219 1.169 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.832 1.774 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.086 2.904 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.463 1.048 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.422 2.779 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.709 1.566 0.192 1.00 0.00 H new ATOM 74 N VAL A 6 -9.590 4.683 -0.544 1.00 0.00 N ATOM 75 CA VAL A 6 -10.099 6.016 -0.243 1.00 0.00 C ATOM 76 C VAL A 6 -11.566 5.963 0.171 1.00 0.00 C ATOM 77 O VAL A 6 -12.450 5.746 -0.659 1.00 0.00 O ATOM 78 CB VAL A 6 -9.951 6.959 -1.451 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.020 8.412 -1.006 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.651 6.680 -2.189 1.00 0.00 C ATOM 0 H VAL A 6 -9.986 4.260 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.505 6.403 0.585 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.778 6.774 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.914 9.064 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.980 8.600 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.215 8.615 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.563 7.356 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.809 6.835 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.647 5.649 -2.543 1.00 0.00 H new ATOM 90 N THR A 7 -11.819 6.164 1.460 1.00 0.00 N ATOM 91 CA THR A 7 -13.178 6.139 1.985 1.00 0.00 C ATOM 92 C THR A 7 -14.094 7.058 1.184 1.00 0.00 C ATOM 93 O THR A 7 -13.712 8.172 0.825 1.00 0.00 O ATOM 94 CB THR A 7 -13.216 6.560 3.467 1.00 0.00 C ATOM 95 OG1 THR A 7 -12.156 5.919 4.185 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.553 6.200 4.097 1.00 0.00 C ATOM 0 H THR A 7 -11.100 6.346 2.160 1.00 0.00 H new ATOM 0 HA THR A 7 -13.532 5.112 1.898 1.00 0.00 H new ATOM 0 HB THR A 7 -13.087 7.641 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.186 6.193 5.126 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.557 6.507 5.143 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.355 6.712 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.707 5.123 4.034 1.00 0.00 H new ATOM 104 N LEU A 8 -15.304 6.584 0.908 1.00 0.00 N ATOM 105 CA LEU A 8 -16.276 7.364 0.149 1.00 0.00 C ATOM 106 C LEU A 8 -17.562 7.555 0.946 1.00 0.00 C ATOM 107 O LEU A 8 -18.096 8.661 1.026 1.00 0.00 O ATOM 108 CB LEU A 8 -16.584 6.676 -1.182 1.00 0.00 C ATOM 109 CG LEU A 8 -15.396 6.469 -2.122 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.656 5.301 -3.060 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.115 7.738 -2.913 1.00 0.00 C ATOM 0 H LEU A 8 -15.636 5.664 1.198 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.844 8.345 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.028 5.703 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.338 7.264 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.517 6.237 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.800 5.168 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.808 4.393 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.547 5.503 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.266 7.573 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.992 8.000 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.885 8.552 -2.225 1.00 0.00 H new ATOM 123 N ALA A 9 -18.053 6.471 1.537 1.00 0.00 N ATOM 124 CA ALA A 9 -19.274 6.520 2.332 1.00 0.00 C ATOM 125 C ALA A 9 -19.126 5.710 3.615 1.00 0.00 C ATOM 126 O ALA A 9 -19.255 4.486 3.606 1.00 0.00 O ATOM 127 CB ALA A 9 -20.454 6.012 1.517 1.00 0.00 C ATOM 0 H ALA A 9 -17.624 5.547 1.480 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.458 7.558 2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.359 6.054 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.580 6.635 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.269 4.982 1.212 1.00 0.00 H new ATOM 133 N ALA A 10 -18.855 6.401 4.718 1.00 0.00 N ATOM 134 CA ALA A 10 -18.692 5.745 6.009 1.00 0.00 C ATOM 135 C ALA A 10 -19.862 4.813 6.304 1.00 0.00 C ATOM 136 O ALA A 10 -21.019 5.161 6.071 1.00 0.00 O ATOM 137 CB ALA A 10 -18.550 6.782 7.113 1.00 0.00 C ATOM 0 H ALA A 10 -18.744 7.415 4.743 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.784 5.143 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.429 6.278 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.677 7.404 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.442 7.407 7.142 1.00 0.00 H new ATOM 143 N GLY A 11 -19.553 3.626 6.817 1.00 0.00 N ATOM 144 CA GLY A 11 -20.590 2.662 7.134 1.00 0.00 C ATOM 145 C GLY A 11 -20.635 2.323 8.610 1.00 0.00 C ATOM 146 O GLY A 11 -20.743 3.212 9.455 1.00 0.00 O ATOM 0 H GLY A 11 -18.603 3.315 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.557 3.059 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.422 1.751 6.560 1.00 0.00 H new ATOM 150 N ASP A 12 -20.554 1.034 8.923 1.00 0.00 N ATOM 151 CA ASP A 12 -20.586 0.579 10.308 1.00 0.00 C ATOM 152 C ASP A 12 -19.291 0.939 11.029 1.00 0.00 C ATOM 153 O ASP A 12 -19.303 1.285 12.210 1.00 0.00 O ATOM 154 CB ASP A 12 -20.813 -0.932 10.366 1.00 0.00 C ATOM 155 CG ASP A 12 -21.421 -1.376 11.682 1.00 0.00 C ATOM 156 OD1 ASP A 12 -21.987 -0.520 12.392 1.00 0.00 O ATOM 157 OD2 ASP A 12 -21.329 -2.580 12.001 1.00 0.00 O ATOM 0 H ASP A 12 -20.466 0.286 8.236 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.412 1.082 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.468 -1.230 9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.863 -1.445 10.216 1.00 0.00 H new ATOM 162 N GLU A 13 -18.176 0.855 10.309 1.00 0.00 N ATOM 163 CA GLU A 13 -16.873 1.170 10.882 1.00 0.00 C ATOM 164 C GLU A 13 -16.651 0.406 12.184 1.00 0.00 C ATOM 165 O GLU A 13 -15.958 0.880 13.084 1.00 0.00 O ATOM 166 CB GLU A 13 -16.752 2.675 11.134 1.00 0.00 C ATOM 167 CG GLU A 13 -16.394 3.473 9.892 1.00 0.00 C ATOM 168 CD GLU A 13 -15.838 4.845 10.220 1.00 0.00 C ATOM 169 OE1 GLU A 13 -14.759 4.914 10.846 1.00 0.00 O ATOM 170 OE2 GLU A 13 -16.481 5.850 9.851 1.00 0.00 O ATOM 0 H GLU A 13 -18.149 0.572 9.329 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.108 0.865 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.696 3.045 11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.993 2.847 11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.660 2.918 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.281 3.584 9.268 1.00 0.00 H new ATOM 177 N ALA A 14 -17.246 -0.779 12.276 1.00 0.00 N ATOM 178 CA ALA A 14 -17.113 -1.610 13.466 1.00 0.00 C ATOM 179 C ALA A 14 -16.936 -3.078 13.093 1.00 0.00 C ATOM 180 O ALA A 14 -16.131 -3.790 13.696 1.00 0.00 O ATOM 181 CB ALA A 14 -18.324 -1.435 14.370 1.00 0.00 C ATOM 0 H ALA A 14 -17.825 -1.185 11.541 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.222 -1.289 14.005 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.211 -2.062 15.255 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.404 -0.391 14.673 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.225 -1.727 13.831 1.00 0.00 H new ATOM 187 N THR A 15 -17.693 -3.527 12.097 1.00 0.00 N ATOM 188 CA THR A 15 -17.622 -4.910 11.646 1.00 0.00 C ATOM 189 C THR A 15 -16.670 -5.054 10.463 1.00 0.00 C ATOM 190 O THR A 15 -16.911 -4.500 9.390 1.00 0.00 O ATOM 191 CB THR A 15 -19.009 -5.442 11.241 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.973 -5.110 12.247 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.975 -6.950 11.043 1.00 0.00 C ATOM 0 H THR A 15 -18.363 -2.951 11.587 1.00 0.00 H new ATOM 0 HA THR A 15 -17.248 -5.497 12.485 1.00 0.00 H new ATOM 0 HB THR A 15 -19.291 -4.975 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.348 -4.224 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.966 -7.302 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.262 -7.198 10.257 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.673 -7.432 11.973 1.00 0.00 H new ATOM 201 N TYR A 16 -15.591 -5.801 10.666 1.00 0.00 N ATOM 202 CA TYR A 16 -14.602 -6.016 9.616 1.00 0.00 C ATOM 203 C TYR A 16 -14.434 -7.504 9.323 1.00 0.00 C ATOM 204 O TYR A 16 -14.674 -8.362 10.173 1.00 0.00 O ATOM 205 CB TYR A 16 -13.258 -5.410 10.020 1.00 0.00 C ATOM 206 CG TYR A 16 -13.311 -3.915 10.245 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.888 -3.386 11.393 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.786 -3.033 9.310 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.940 -2.022 11.603 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.832 -1.667 9.512 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.410 -1.166 10.660 1.00 0.00 C ATOM 212 OH TYR A 16 -13.459 0.194 10.865 1.00 0.00 O ATOM 0 H TYR A 16 -15.379 -6.268 11.548 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.957 -5.523 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.910 -5.894 10.932 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.523 -5.626 9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.303 -4.053 12.134 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.334 -3.421 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.393 -1.628 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.418 -0.995 8.775 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.042 0.654 10.107 1.00 0.00 H new ATOM 222 N PRO A 17 -14.010 -7.819 8.090 1.00 0.00 N ATOM 223 CA PRO A 17 -13.798 -9.203 7.654 1.00 0.00 C ATOM 224 C PRO A 17 -12.598 -9.848 8.338 1.00 0.00 C ATOM 225 O PRO A 17 -11.566 -9.207 8.539 1.00 0.00 O ATOM 226 CB PRO A 17 -13.548 -9.067 6.150 1.00 0.00 C ATOM 227 CG PRO A 17 -13.024 -7.684 5.977 1.00 0.00 C ATOM 228 CD PRO A 17 -13.704 -6.848 7.025 1.00 0.00 C ATOM 0 HA PRO A 17 -14.644 -9.843 7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.831 -9.809 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.466 -9.217 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.941 -7.659 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.240 -7.307 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.056 -6.048 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.608 -6.377 6.639 1.00 0.00 H new ATOM 236 N LYS A 18 -12.738 -11.120 8.693 1.00 0.00 N ATOM 237 CA LYS A 18 -11.665 -11.854 9.353 1.00 0.00 C ATOM 238 C LYS A 18 -10.828 -12.625 8.336 1.00 0.00 C ATOM 239 O LYS A 18 -11.336 -13.065 7.306 1.00 0.00 O ATOM 240 CB LYS A 18 -12.242 -12.819 10.391 1.00 0.00 C ATOM 241 CG LYS A 18 -11.230 -13.271 11.430 1.00 0.00 C ATOM 242 CD LYS A 18 -10.894 -12.153 12.403 1.00 0.00 C ATOM 243 CE LYS A 18 -9.689 -12.505 13.262 1.00 0.00 C ATOM 244 NZ LYS A 18 -9.960 -13.672 14.146 1.00 0.00 N ATOM 0 H LYS A 18 -13.585 -11.665 8.535 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.021 -11.133 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.079 -12.338 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.640 -13.695 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.627 -14.125 11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.321 -13.607 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.692 -11.236 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.754 -11.956 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.837 -12.726 12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.413 -11.644 13.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.127 -13.859 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.778 -13.465 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.165 -14.509 13.563 1.00 0.00 H new ATOM 258 N ALA A 19 -9.543 -12.785 8.635 1.00 0.00 N ATOM 259 CA ALA A 19 -8.637 -13.506 7.749 1.00 0.00 C ATOM 260 C ALA A 19 -9.080 -14.954 7.570 1.00 0.00 C ATOM 261 O ALA A 19 -9.036 -15.748 8.509 1.00 0.00 O ATOM 262 CB ALA A 19 -7.216 -13.450 8.288 1.00 0.00 C ATOM 0 H ALA A 19 -9.106 -12.425 9.484 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.663 -13.022 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.550 -13.992 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.894 -12.411 8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.184 -13.906 9.277 1.00 0.00 H new ATOM 268 N GLY A 20 -9.509 -15.291 6.357 1.00 0.00 N ATOM 269 CA GLY A 20 -9.956 -16.644 6.078 1.00 0.00 C ATOM 270 C GLY A 20 -11.467 -16.758 6.034 1.00 0.00 C ATOM 271 O GLY A 20 -12.005 -17.817 5.713 1.00 0.00 O ATOM 0 H GLY A 20 -9.555 -14.652 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.542 -16.971 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.566 -17.317 6.842 1.00 0.00 H new ATOM 275 N GLN A 21 -12.151 -15.666 6.359 1.00 0.00 N ATOM 276 CA GLN A 21 -13.609 -15.650 6.357 1.00 0.00 C ATOM 277 C GLN A 21 -14.146 -15.170 5.013 1.00 0.00 C ATOM 278 O GLN A 21 -13.435 -14.524 4.243 1.00 0.00 O ATOM 279 CB GLN A 21 -14.132 -14.752 7.479 1.00 0.00 C ATOM 280 CG GLN A 21 -14.324 -15.478 8.801 1.00 0.00 C ATOM 281 CD GLN A 21 -15.368 -14.821 9.681 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.228 -15.494 10.252 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.300 -13.500 9.797 1.00 0.00 N ATOM 0 H GLN A 21 -11.719 -14.781 6.627 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.959 -16.669 6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.436 -13.926 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.083 -14.317 7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.616 -16.510 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.374 -15.511 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.571 -12.982 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.977 -13.003 10.377 1.00 0.00 H new ATOM 292 N VAL A 22 -15.407 -15.490 4.737 1.00 0.00 N ATOM 293 CA VAL A 22 -16.040 -15.090 3.486 1.00 0.00 C ATOM 294 C VAL A 22 -16.735 -13.741 3.628 1.00 0.00 C ATOM 295 O VAL A 22 -17.686 -13.599 4.397 1.00 0.00 O ATOM 296 CB VAL A 22 -17.068 -16.138 3.018 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.588 -15.793 1.630 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.454 -17.530 3.035 1.00 0.00 C ATOM 0 H VAL A 22 -16.009 -16.025 5.363 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.248 -15.010 2.742 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.911 -16.129 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.313 -16.544 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.067 -14.814 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.757 -15.773 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.194 -18.258 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.593 -17.556 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.135 -17.775 4.048 1.00 0.00 H new ATOM 308 N ALA A 23 -16.254 -12.752 2.882 1.00 0.00 N ATOM 309 CA ALA A 23 -16.831 -11.414 2.923 1.00 0.00 C ATOM 310 C ALA A 23 -17.569 -11.094 1.627 1.00 0.00 C ATOM 311 O ALA A 23 -17.138 -11.488 0.543 1.00 0.00 O ATOM 312 CB ALA A 23 -15.746 -10.380 3.184 1.00 0.00 C ATOM 0 H ALA A 23 -15.466 -12.852 2.242 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.553 -11.381 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.191 -9.385 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.266 -10.590 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.003 -10.423 2.387 1.00 0.00 H new ATOM 318 N VAL A 24 -18.682 -10.378 1.746 1.00 0.00 N ATOM 319 CA VAL A 24 -19.480 -10.005 0.584 1.00 0.00 C ATOM 320 C VAL A 24 -19.482 -8.494 0.382 1.00 0.00 C ATOM 321 O VAL A 24 -19.867 -7.738 1.274 1.00 0.00 O ATOM 322 CB VAL A 24 -20.933 -10.497 0.720 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.689 -10.295 -0.585 1.00 0.00 C ATOM 324 CG2 VAL A 24 -20.964 -11.958 1.142 1.00 0.00 C ATOM 0 H VAL A 24 -19.052 -10.044 2.636 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.023 -10.484 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.426 -9.909 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.714 -10.648 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.697 -9.235 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.199 -10.856 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -21.999 -12.289 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.454 -12.564 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.461 -12.070 2.103 1.00 0.00 H new ATOM 334 N VAL A 25 -19.051 -8.060 -0.798 1.00 0.00 N ATOM 335 CA VAL A 25 -19.005 -6.639 -1.120 1.00 0.00 C ATOM 336 C VAL A 25 -19.330 -6.397 -2.589 1.00 0.00 C ATOM 337 O VAL A 25 -19.399 -7.335 -3.384 1.00 0.00 O ATOM 338 CB VAL A 25 -17.622 -6.037 -0.806 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.084 -6.590 0.506 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.652 -6.308 -1.946 1.00 0.00 C ATOM 0 H VAL A 25 -18.729 -8.673 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.756 -6.150 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.730 -4.958 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.107 -6.154 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.770 -6.340 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.989 -7.673 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.680 -5.876 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.546 -7.384 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.034 -5.859 -2.863 1.00 0.00 H new ATOM 350 N HIS A 26 -19.529 -5.132 -2.945 1.00 0.00 N ATOM 351 CA HIS A 26 -19.847 -4.765 -4.321 1.00 0.00 C ATOM 352 C HIS A 26 -18.661 -4.073 -4.986 1.00 0.00 C ATOM 353 O HIS A 26 -18.193 -3.035 -4.518 1.00 0.00 O ATOM 354 CB HIS A 26 -21.072 -3.851 -4.357 1.00 0.00 C ATOM 355 CG HIS A 26 -22.353 -4.578 -4.631 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.619 -5.210 -5.827 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.445 -4.772 -3.854 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.819 -5.760 -5.775 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.341 -5.509 -4.588 1.00 0.00 N ATOM 0 H HIS A 26 -19.476 -4.344 -2.300 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.069 -5.678 -4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.156 -3.331 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.925 -3.090 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.585 -4.414 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.293 -6.320 -6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.261 -5.813 -4.268 1.00 0.00 H new ATOM 367 N TYR A 27 -18.180 -4.655 -6.079 1.00 0.00 N ATOM 368 CA TYR A 27 -17.047 -4.095 -6.807 1.00 0.00 C ATOM 369 C TYR A 27 -17.513 -3.373 -8.067 1.00 0.00 C ATOM 370 O TYR A 27 -18.392 -3.852 -8.784 1.00 0.00 O ATOM 371 CB TYR A 27 -16.056 -5.200 -7.175 1.00 0.00 C ATOM 372 CG TYR A 27 -16.573 -6.150 -8.232 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.464 -5.845 -9.582 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.169 -7.355 -7.878 1.00 0.00 C ATOM 375 CE1 TYR A 27 -16.936 -6.710 -10.551 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.642 -8.227 -8.840 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.524 -7.899 -10.174 1.00 0.00 C ATOM 378 OH TYR A 27 -17.994 -8.764 -11.136 1.00 0.00 O ATOM 0 H TYR A 27 -18.557 -5.514 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.551 -3.372 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.131 -4.744 -7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.808 -5.768 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.002 -4.915 -9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.264 -7.614 -6.834 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.845 -6.456 -11.597 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.101 -9.160 -8.549 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.378 -9.556 -10.705 1.00 0.00 H new ATOM 388 N THR A 28 -16.915 -2.215 -8.333 1.00 0.00 N ATOM 389 CA THR A 28 -17.267 -1.425 -9.506 1.00 0.00 C ATOM 390 C THR A 28 -16.021 -0.969 -10.256 1.00 0.00 C ATOM 391 O THR A 28 -15.108 -0.391 -9.669 1.00 0.00 O ATOM 392 CB THR A 28 -18.101 -0.188 -9.120 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.310 -0.596 -8.470 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.436 0.643 -10.349 1.00 0.00 C ATOM 0 H THR A 28 -16.185 -1.804 -7.751 1.00 0.00 H new ATOM 0 HA THR A 28 -17.862 -2.069 -10.154 1.00 0.00 H new ATOM 0 HB THR A 28 -17.510 0.423 -8.437 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.834 0.196 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.025 1.511 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.514 0.976 -10.825 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.009 0.038 -11.052 1.00 0.00 H new ATOM 402 N GLY A 29 -15.990 -1.234 -11.559 1.00 0.00 N ATOM 403 CA GLY A 29 -14.850 -0.844 -12.368 1.00 0.00 C ATOM 404 C GLY A 29 -14.693 0.661 -12.461 1.00 0.00 C ATOM 405 O GLY A 29 -15.681 1.393 -12.530 1.00 0.00 O ATOM 0 H GLY A 29 -16.734 -1.712 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.943 -1.275 -11.944 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.961 -1.257 -13.370 1.00 0.00 H new ATOM 409 N THR A 30 -13.448 1.125 -12.461 1.00 0.00 N ATOM 410 CA THR A 30 -13.164 2.553 -12.542 1.00 0.00 C ATOM 411 C THR A 30 -11.683 2.805 -12.801 1.00 0.00 C ATOM 412 O THR A 30 -10.821 2.116 -12.255 1.00 0.00 O ATOM 413 CB THR A 30 -13.580 3.283 -11.252 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.134 2.349 -10.317 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.598 4.373 -11.551 1.00 0.00 C ATOM 0 H THR A 30 -12.619 0.533 -12.406 1.00 0.00 H new ATOM 0 HA THR A 30 -13.747 2.944 -13.375 1.00 0.00 H new ATOM 0 HB THR A 30 -12.692 3.746 -10.820 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.410 1.926 -9.809 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.877 4.875 -10.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.163 5.098 -12.239 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.484 3.929 -12.004 1.00 0.00 H new ATOM 423 N LEU A 31 -11.394 3.798 -13.635 1.00 0.00 N ATOM 424 CA LEU A 31 -10.016 4.142 -13.966 1.00 0.00 C ATOM 425 C LEU A 31 -9.538 5.331 -13.138 1.00 0.00 C ATOM 426 O LEU A 31 -10.345 6.087 -12.597 1.00 0.00 O ATOM 427 CB LEU A 31 -9.892 4.462 -15.456 1.00 0.00 C ATOM 428 CG LEU A 31 -9.866 3.259 -16.401 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.756 3.718 -17.846 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.716 2.328 -16.046 1.00 0.00 C ATOM 0 H LEU A 31 -12.096 4.379 -14.094 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.388 3.283 -13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.726 5.104 -15.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.980 5.039 -15.609 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.801 2.710 -16.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.739 2.849 -18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.612 4.345 -18.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.838 4.290 -17.977 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.712 1.478 -16.728 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.772 2.866 -16.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.839 1.972 -15.023 1.00 0.00 H new ATOM 442 N ALA A 32 -8.222 5.491 -13.045 1.00 0.00 N ATOM 443 CA ALA A 32 -7.637 6.590 -12.288 1.00 0.00 C ATOM 444 C ALA A 32 -8.114 7.938 -12.818 1.00 0.00 C ATOM 445 O ALA A 32 -8.085 8.942 -12.106 1.00 0.00 O ATOM 446 CB ALA A 32 -6.119 6.512 -12.330 1.00 0.00 C ATOM 0 H ALA A 32 -7.541 4.873 -13.485 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.966 6.499 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.696 7.339 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.791 5.567 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.780 6.573 -13.364 1.00 0.00 H new ATOM 452 N ASP A 33 -8.552 7.953 -14.073 1.00 0.00 N ATOM 453 CA ASP A 33 -9.035 9.178 -14.699 1.00 0.00 C ATOM 454 C ASP A 33 -10.486 9.450 -14.312 1.00 0.00 C ATOM 455 O ASP A 33 -10.990 10.557 -14.494 1.00 0.00 O ATOM 456 CB ASP A 33 -8.910 9.082 -16.220 1.00 0.00 C ATOM 457 CG ASP A 33 -7.493 9.327 -16.701 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.971 10.438 -16.470 1.00 0.00 O ATOM 459 OD2 ASP A 33 -6.905 8.407 -17.306 1.00 0.00 O ATOM 0 H ASP A 33 -8.582 7.131 -14.676 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.421 10.005 -14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.236 8.095 -16.547 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.578 9.808 -16.683 1.00 0.00 H new ATOM 464 N GLY A 34 -11.152 8.431 -13.779 1.00 0.00 N ATOM 465 CA GLY A 34 -12.538 8.580 -13.376 1.00 0.00 C ATOM 466 C GLY A 34 -13.487 7.794 -14.259 1.00 0.00 C ATOM 467 O GLY A 34 -14.641 7.567 -13.897 1.00 0.00 O ATOM 0 H GLY A 34 -10.757 7.505 -13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.650 8.250 -12.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.810 9.635 -13.405 1.00 0.00 H new ATOM 471 N LYS A 35 -13.001 7.379 -15.424 1.00 0.00 N ATOM 472 CA LYS A 35 -13.812 6.614 -16.364 1.00 0.00 C ATOM 473 C LYS A 35 -14.460 5.417 -15.674 1.00 0.00 C ATOM 474 O LYS A 35 -13.772 4.560 -15.120 1.00 0.00 O ATOM 475 CB LYS A 35 -12.956 6.137 -17.539 1.00 0.00 C ATOM 476 CG LYS A 35 -13.305 6.806 -18.857 1.00 0.00 C ATOM 477 CD LYS A 35 -14.753 6.552 -19.244 1.00 0.00 C ATOM 478 CE LYS A 35 -15.036 7.003 -20.668 1.00 0.00 C ATOM 479 NZ LYS A 35 -14.842 5.899 -21.649 1.00 0.00 N ATOM 0 H LYS A 35 -12.048 7.560 -15.740 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.601 7.266 -16.739 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.906 6.325 -17.313 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.071 5.058 -17.647 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.131 7.879 -18.779 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.647 6.433 -19.641 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.976 5.489 -19.147 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.413 7.080 -18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.059 7.373 -20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.379 7.835 -20.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.045 6.247 -22.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.859 5.563 -21.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.487 5.115 -21.422 1.00 0.00 H new ATOM 493 N VAL A 36 -15.788 5.364 -15.714 1.00 0.00 N ATOM 494 CA VAL A 36 -16.528 4.271 -15.096 1.00 0.00 C ATOM 495 C VAL A 36 -16.477 3.015 -15.959 1.00 0.00 C ATOM 496 O VAL A 36 -16.453 3.094 -17.187 1.00 0.00 O ATOM 497 CB VAL A 36 -18.000 4.656 -14.855 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.756 4.727 -16.173 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.660 3.668 -13.906 1.00 0.00 C ATOM 0 H VAL A 36 -16.373 6.066 -16.168 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.051 4.068 -14.137 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.028 5.643 -14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.794 5.000 -15.983 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.296 5.477 -16.817 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.721 3.755 -16.665 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.699 3.955 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.622 2.668 -14.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.132 3.672 -12.952 1.00 0.00 H new ATOM 509 N PHE A 37 -16.460 1.857 -15.308 1.00 0.00 N ATOM 510 CA PHE A 37 -16.411 0.583 -16.015 1.00 0.00 C ATOM 511 C PHE A 37 -17.489 -0.367 -15.500 1.00 0.00 C ATOM 512 O PHE A 37 -18.310 0.005 -14.661 1.00 0.00 O ATOM 513 CB PHE A 37 -15.032 -0.059 -15.858 1.00 0.00 C ATOM 514 CG PHE A 37 -14.062 0.331 -16.936 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.536 1.612 -16.982 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.677 -0.582 -17.904 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.643 1.975 -17.973 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.784 -0.225 -18.897 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.268 1.056 -18.932 1.00 0.00 C ATOM 0 H PHE A 37 -16.479 1.775 -14.292 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.596 0.775 -17.072 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.618 0.221 -14.889 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.143 -1.143 -15.856 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.827 2.335 -16.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.079 -1.584 -17.883 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.239 2.976 -17.997 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.490 -0.947 -19.645 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.572 1.338 -19.709 1.00 0.00 H new ATOM 529 N ASP A 38 -17.479 -1.594 -16.009 1.00 0.00 N ATOM 530 CA ASP A 38 -18.455 -2.599 -15.601 1.00 0.00 C ATOM 531 C ASP A 38 -18.419 -2.808 -14.090 1.00 0.00 C ATOM 532 O ASP A 38 -17.349 -2.941 -13.497 1.00 0.00 O ATOM 533 CB ASP A 38 -18.186 -3.922 -16.318 1.00 0.00 C ATOM 534 CG ASP A 38 -19.441 -4.757 -16.481 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.543 -4.172 -16.515 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.320 -5.996 -16.576 1.00 0.00 O ATOM 0 H ASP A 38 -16.806 -1.917 -16.705 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.447 -2.241 -15.877 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.758 -3.720 -17.300 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.444 -4.491 -15.758 1.00 0.00 H new ATOM 541 N SER A 39 -19.596 -2.836 -13.474 1.00 0.00 N ATOM 542 CA SER A 39 -19.700 -3.024 -12.031 1.00 0.00 C ATOM 543 C SER A 39 -20.580 -4.227 -11.702 1.00 0.00 C ATOM 544 O SER A 39 -21.420 -4.633 -12.505 1.00 0.00 O ATOM 545 CB SER A 39 -20.268 -1.767 -11.371 1.00 0.00 C ATOM 546 OG SER A 39 -21.682 -1.741 -11.455 1.00 0.00 O ATOM 0 H SER A 39 -20.491 -2.731 -13.951 1.00 0.00 H new ATOM 0 HA SER A 39 -18.699 -3.210 -11.641 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.962 -1.732 -10.325 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.856 -0.881 -11.854 1.00 0.00 H new ATOM 0 HG SER A 39 -22.020 -0.928 -11.024 1.00 0.00 H new ATOM 552 N SER A 40 -20.380 -4.791 -10.516 1.00 0.00 N ATOM 553 CA SER A 40 -21.151 -5.950 -10.081 1.00 0.00 C ATOM 554 C SER A 40 -22.567 -5.542 -9.686 1.00 0.00 C ATOM 555 O SER A 40 -23.523 -6.288 -9.903 1.00 0.00 O ATOM 556 CB SER A 40 -20.459 -6.637 -8.902 1.00 0.00 C ATOM 557 OG SER A 40 -20.529 -8.047 -9.021 1.00 0.00 O ATOM 0 H SER A 40 -19.691 -4.465 -9.839 1.00 0.00 H new ATOM 0 HA SER A 40 -21.211 -6.649 -10.915 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.416 -6.324 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.927 -6.324 -7.969 1.00 0.00 H new ATOM 0 HG SER A 40 -19.634 -8.405 -9.200 1.00 0.00 H new ATOM 668 N PHE A 47 -20.398 -9.419 -4.905 1.00 0.00 N ATOM 669 CA PHE A 47 -19.384 -10.459 -5.025 1.00 0.00 C ATOM 670 C PHE A 47 -18.860 -10.870 -3.652 1.00 0.00 C ATOM 671 O PHE A 47 -18.443 -10.027 -2.857 1.00 0.00 O ATOM 672 CB PHE A 47 -18.227 -9.975 -5.901 1.00 0.00 C ATOM 673 CG PHE A 47 -17.548 -11.077 -6.662 1.00 0.00 C ATOM 674 CD1 PHE A 47 -18.148 -11.639 -7.777 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.310 -11.553 -6.261 1.00 0.00 C ATOM 676 CE1 PHE A 47 -17.526 -12.654 -8.480 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.682 -12.567 -6.960 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.292 -13.119 -8.070 1.00 0.00 C ATOM 0 HA PHE A 47 -19.846 -11.328 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.602 -9.234 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.492 -9.472 -5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.114 -11.280 -8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.830 -11.127 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.004 -13.083 -9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.716 -12.927 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.804 -13.913 -8.616 1.00 0.00 H new ATOM 688 N ARG A 48 -18.886 -12.171 -3.380 1.00 0.00 N ATOM 689 CA ARG A 48 -18.415 -12.694 -2.103 1.00 0.00 C ATOM 690 C ARG A 48 -17.230 -13.633 -2.303 1.00 0.00 C ATOM 691 O ARG A 48 -17.148 -14.341 -3.307 1.00 0.00 O ATOM 692 CB ARG A 48 -19.546 -13.429 -1.381 1.00 0.00 C ATOM 693 CG ARG A 48 -20.035 -14.666 -2.117 1.00 0.00 C ATOM 694 CD ARG A 48 -20.159 -15.858 -1.181 1.00 0.00 C ATOM 695 NE ARG A 48 -20.150 -17.126 -1.905 1.00 0.00 N ATOM 696 CZ ARG A 48 -20.592 -18.269 -1.392 1.00 0.00 C ATOM 697 NH1 ARG A 48 -21.076 -18.302 -0.158 1.00 0.00 N ATOM 698 NH2 ARG A 48 -20.550 -19.382 -2.113 1.00 0.00 N ATOM 0 H ARG A 48 -19.228 -12.882 -4.027 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.089 -11.852 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.204 -13.719 -0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.383 -12.744 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.002 -14.460 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.344 -14.907 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.337 -15.844 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.082 -15.774 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.784 -17.135 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.110 -17.449 0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.415 -19.181 0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.178 -19.361 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.890 -20.259 -1.718 1.00 0.00 H new ATOM 712 N PHE A 49 -16.312 -13.632 -1.342 1.00 0.00 N ATOM 713 CA PHE A 49 -15.130 -14.483 -1.414 1.00 0.00 C ATOM 714 C PHE A 49 -14.426 -14.551 -0.061 1.00 0.00 C ATOM 715 O PHE A 49 -14.726 -13.777 0.848 1.00 0.00 O ATOM 716 CB PHE A 49 -14.163 -13.961 -2.479 1.00 0.00 C ATOM 717 CG PHE A 49 -13.631 -12.588 -2.183 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.494 -12.423 -1.408 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.267 -11.462 -2.681 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.003 -11.161 -1.134 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.780 -10.197 -2.411 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.646 -10.046 -1.637 1.00 0.00 C ATOM 0 H PHE A 49 -16.364 -13.052 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.452 -15.488 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.327 -14.654 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.671 -13.945 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.986 -13.291 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.154 -11.574 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.117 -11.046 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.286 -9.328 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.263 -9.059 -1.425 1.00 0.00 H new ATOM 732 N THR A 50 -13.488 -15.484 0.064 1.00 0.00 N ATOM 733 CA THR A 50 -12.742 -15.656 1.305 1.00 0.00 C ATOM 734 C THR A 50 -11.536 -14.725 1.354 1.00 0.00 C ATOM 735 O THR A 50 -10.551 -14.930 0.644 1.00 0.00 O ATOM 736 CB THR A 50 -12.262 -17.110 1.475 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.349 -18.014 1.251 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.690 -17.331 2.867 1.00 0.00 C ATOM 0 H THR A 50 -13.226 -16.132 -0.679 1.00 0.00 H new ATOM 0 HA THR A 50 -13.422 -15.409 2.120 1.00 0.00 H new ATOM 0 HB THR A 50 -11.477 -17.299 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.035 -18.936 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.358 -18.365 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.844 -16.662 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.458 -17.125 3.613 1.00 0.00 H new ATOM 746 N VAL A 51 -11.618 -13.702 2.198 1.00 0.00 N ATOM 747 CA VAL A 51 -10.531 -12.740 2.342 1.00 0.00 C ATOM 748 C VAL A 51 -9.260 -13.418 2.840 1.00 0.00 C ATOM 749 O VAL A 51 -9.148 -13.764 4.015 1.00 0.00 O ATOM 750 CB VAL A 51 -10.910 -11.607 3.314 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.852 -10.513 3.297 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.278 -11.041 2.965 1.00 0.00 C ATOM 0 H VAL A 51 -12.426 -13.518 2.793 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.350 -12.316 1.354 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.958 -12.018 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.137 -9.721 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.892 -10.931 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.769 -10.103 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.530 -10.242 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.260 -10.645 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.026 -11.830 3.033 1.00 0.00 H new ATOM 762 N GLY A 52 -8.302 -13.605 1.937 1.00 0.00 N ATOM 763 CA GLY A 52 -7.050 -14.241 2.303 1.00 0.00 C ATOM 764 C GLY A 52 -6.744 -15.454 1.448 1.00 0.00 C ATOM 765 O GLY A 52 -5.604 -15.915 1.398 1.00 0.00 O ATOM 0 H GLY A 52 -8.371 -13.327 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.238 -13.520 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.090 -14.540 3.351 1.00 0.00 H new ATOM 769 N ARG A 53 -7.765 -15.974 0.775 1.00 0.00 N ATOM 770 CA ARG A 53 -7.600 -17.144 -0.080 1.00 0.00 C ATOM 771 C ARG A 53 -6.949 -16.761 -1.406 1.00 0.00 C ATOM 772 O ARG A 53 -6.689 -15.587 -1.665 1.00 0.00 O ATOM 773 CB ARG A 53 -8.954 -17.809 -0.338 1.00 0.00 C ATOM 774 CG ARG A 53 -9.361 -18.799 0.740 1.00 0.00 C ATOM 775 CD ARG A 53 -8.415 -19.988 0.791 1.00 0.00 C ATOM 776 NE ARG A 53 -8.997 -21.121 1.506 1.00 0.00 N ATOM 777 CZ ARG A 53 -8.388 -22.294 1.644 1.00 0.00 C ATOM 778 NH1 ARG A 53 -7.186 -22.486 1.121 1.00 0.00 N ATOM 779 NH2 ARG A 53 -8.983 -23.276 2.309 1.00 0.00 N ATOM 0 H ARG A 53 -8.715 -15.604 0.805 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.948 -17.850 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.719 -17.037 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.919 -18.324 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.372 -18.300 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.376 -19.148 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.160 -20.292 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.486 -19.691 1.277 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.921 -21.006 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.726 -21.732 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.721 -23.387 1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.908 -23.130 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.516 -24.176 2.415 1.00 0.00 H new ATOM 793 N GLY A 54 -6.686 -17.761 -2.241 1.00 0.00 N ATOM 794 CA GLY A 54 -6.067 -17.509 -3.529 1.00 0.00 C ATOM 795 C GLY A 54 -7.080 -17.425 -4.654 1.00 0.00 C ATOM 796 O GLY A 54 -6.740 -17.622 -5.820 1.00 0.00 O ATOM 0 H GLY A 54 -6.891 -18.742 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.504 -16.577 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.352 -18.303 -3.747 1.00 0.00 H new ATOM 800 N GLU A 55 -8.329 -17.134 -4.302 1.00 0.00 N ATOM 801 CA GLU A 55 -9.395 -17.028 -5.292 1.00 0.00 C ATOM 802 C GLU A 55 -9.515 -15.598 -5.810 1.00 0.00 C ATOM 803 O GLU A 55 -10.031 -15.363 -6.903 1.00 0.00 O ATOM 804 CB GLU A 55 -10.727 -17.478 -4.688 1.00 0.00 C ATOM 805 CG GLU A 55 -10.635 -18.781 -3.913 1.00 0.00 C ATOM 806 CD GLU A 55 -11.978 -19.471 -3.771 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.951 -18.800 -3.368 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.055 -20.683 -4.062 1.00 0.00 O ATOM 0 H GLU A 55 -8.627 -16.968 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.146 -17.679 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.098 -16.696 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.459 -17.592 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.938 -19.451 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.226 -18.582 -2.922 1.00 0.00 H new ATOM 815 N VAL A 56 -9.036 -14.645 -5.017 1.00 0.00 N ATOM 816 CA VAL A 56 -9.089 -13.238 -5.395 1.00 0.00 C ATOM 817 C VAL A 56 -7.688 -12.670 -5.598 1.00 0.00 C ATOM 818 O VAL A 56 -6.694 -13.387 -5.481 1.00 0.00 O ATOM 819 CB VAL A 56 -9.822 -12.398 -4.332 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.317 -12.675 -4.372 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.256 -12.679 -2.949 1.00 0.00 C ATOM 0 H VAL A 56 -8.607 -14.822 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.640 -13.183 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.666 -11.343 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.819 -12.073 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.708 -12.419 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.497 -13.732 -4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.785 -12.077 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.380 -13.736 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.196 -12.426 -2.931 1.00 0.00 H new ATOM 831 N ILE A 57 -7.618 -11.379 -5.902 1.00 0.00 N ATOM 832 CA ILE A 57 -6.339 -10.714 -6.119 1.00 0.00 C ATOM 833 C ILE A 57 -5.855 -10.024 -4.848 1.00 0.00 C ATOM 834 O ILE A 57 -6.646 -9.722 -3.954 1.00 0.00 O ATOM 835 CB ILE A 57 -6.429 -9.675 -7.252 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.582 -8.703 -6.991 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.609 -10.369 -8.594 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.331 -7.311 -7.527 1.00 0.00 C ATOM 0 H ILE A 57 -8.432 -10.772 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.626 -11.488 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.499 -9.108 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.491 -9.100 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.761 -8.644 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.671 -9.621 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.759 -11.025 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.526 -10.958 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.189 -6.676 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.441 -6.895 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.182 -7.358 -8.606 1.00 0.00 H new ATOM 850 N ARG A 58 -4.552 -9.775 -4.776 1.00 0.00 N ATOM 851 CA ARG A 58 -3.962 -9.119 -3.615 1.00 0.00 C ATOM 852 C ARG A 58 -4.702 -7.825 -3.288 1.00 0.00 C ATOM 853 O ARG A 58 -5.024 -7.557 -2.131 1.00 0.00 O ATOM 854 CB ARG A 58 -2.483 -8.823 -3.866 1.00 0.00 C ATOM 855 CG ARG A 58 -1.647 -10.067 -4.118 1.00 0.00 C ATOM 856 CD ARG A 58 -1.418 -10.853 -2.837 1.00 0.00 C ATOM 857 NE ARG A 58 -0.604 -12.044 -3.063 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.234 -12.877 -2.096 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.605 -12.649 -0.843 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.507 -13.940 -2.381 1.00 0.00 N ATOM 0 H ARG A 58 -3.884 -10.018 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.051 -9.794 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.395 -8.157 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.077 -8.291 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.147 -10.701 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.687 -9.781 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.929 -10.214 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.379 -11.146 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.303 -12.248 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.175 -11.833 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.320 -13.290 -0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.794 -14.119 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.790 -14.578 -1.638 1.00 0.00 H new ATOM 874 N GLY A 59 -4.968 -7.025 -4.316 1.00 0.00 N ATOM 875 CA GLY A 59 -5.667 -5.769 -4.117 1.00 0.00 C ATOM 876 C GLY A 59 -6.929 -5.931 -3.293 1.00 0.00 C ATOM 877 O GLY A 59 -7.045 -5.368 -2.205 1.00 0.00 O ATOM 0 H GLY A 59 -4.712 -7.224 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.002 -5.061 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.922 -5.342 -5.087 1.00 0.00 H new ATOM 881 N TRP A 60 -7.878 -6.702 -3.813 1.00 0.00 N ATOM 882 CA TRP A 60 -9.139 -6.935 -3.119 1.00 0.00 C ATOM 883 C TRP A 60 -8.894 -7.472 -1.712 1.00 0.00 C ATOM 884 O TRP A 60 -9.540 -7.045 -0.755 1.00 0.00 O ATOM 885 CB TRP A 60 -10.006 -7.917 -3.909 1.00 0.00 C ATOM 886 CG TRP A 60 -10.826 -7.259 -4.976 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.694 -5.981 -5.441 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.907 -7.845 -5.710 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.627 -5.738 -6.419 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.383 -6.865 -6.604 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.517 -9.102 -5.701 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.440 -7.106 -7.477 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.567 -9.339 -6.568 1.00 0.00 C ATOM 894 CH2 TRP A 60 -14.019 -8.345 -7.447 1.00 0.00 C ATOM 0 H TRP A 60 -7.798 -7.176 -4.713 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.663 -5.982 -3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.365 -8.670 -4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.670 -8.439 -3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -9.963 -5.267 -5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.739 -4.860 -6.926 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.174 -9.875 -5.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.791 -6.341 -8.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.047 -10.306 -6.568 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.841 -8.562 -8.114 1.00 0.00 H new ATOM 905 N ASP A 61 -7.959 -8.408 -1.595 1.00 0.00 N ATOM 906 CA ASP A 61 -7.629 -9.001 -0.305 1.00 0.00 C ATOM 907 C ASP A 61 -7.393 -7.921 0.746 1.00 0.00 C ATOM 908 O ASP A 61 -8.129 -7.826 1.727 1.00 0.00 O ATOM 909 CB ASP A 61 -6.389 -9.888 -0.430 1.00 0.00 C ATOM 910 CG ASP A 61 -6.388 -11.027 0.571 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.533 -10.753 1.781 1.00 0.00 O ATOM 912 OD2 ASP A 61 -6.242 -12.192 0.145 1.00 0.00 O ATOM 0 H ASP A 61 -7.416 -8.772 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.474 -9.613 0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.338 -10.296 -1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.495 -9.281 -0.286 1.00 0.00 H new ATOM 917 N GLU A 62 -6.361 -7.110 0.532 1.00 0.00 N ATOM 918 CA GLU A 62 -6.028 -6.038 1.463 1.00 0.00 C ATOM 919 C GLU A 62 -7.146 -5.000 1.520 1.00 0.00 C ATOM 920 O GLU A 62 -7.571 -4.589 2.599 1.00 0.00 O ATOM 921 CB GLU A 62 -4.715 -5.366 1.053 1.00 0.00 C ATOM 922 CG GLU A 62 -3.478 -6.105 1.535 1.00 0.00 C ATOM 923 CD GLU A 62 -3.381 -6.156 3.047 1.00 0.00 C ATOM 924 OE1 GLU A 62 -4.125 -5.406 3.714 1.00 0.00 O ATOM 925 OE2 GLU A 62 -2.561 -6.944 3.564 1.00 0.00 O ATOM 0 H GLU A 62 -5.742 -7.175 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.910 -6.476 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.681 -5.287 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.698 -4.350 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.490 -7.121 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.589 -5.618 1.134 1.00 0.00 H new ATOM 932 N GLY A 63 -7.617 -4.581 0.350 1.00 0.00 N ATOM 933 CA GLY A 63 -8.680 -3.595 0.288 1.00 0.00 C ATOM 934 C GLY A 63 -9.855 -3.954 1.176 1.00 0.00 C ATOM 935 O GLY A 63 -10.167 -3.236 2.126 1.00 0.00 O ATOM 0 H GLY A 63 -7.281 -4.907 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.287 -2.623 0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.023 -3.499 -0.742 1.00 0.00 H new ATOM 939 N VAL A 64 -10.511 -5.068 0.866 1.00 0.00 N ATOM 940 CA VAL A 64 -11.659 -5.521 1.643 1.00 0.00 C ATOM 941 C VAL A 64 -11.265 -5.816 3.085 1.00 0.00 C ATOM 942 O VAL A 64 -12.059 -5.631 4.007 1.00 0.00 O ATOM 943 CB VAL A 64 -12.291 -6.783 1.026 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.387 -7.988 1.232 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.670 -7.032 1.620 1.00 0.00 C ATOM 0 H VAL A 64 -10.267 -5.673 0.082 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.390 -4.713 1.628 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.405 -6.625 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.850 -8.870 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.424 -7.806 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.238 -8.153 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.102 -7.927 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.582 -7.170 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.314 -6.177 1.415 1.00 0.00 H new ATOM 955 N ALA A 65 -10.033 -6.277 3.274 1.00 0.00 N ATOM 956 CA ALA A 65 -9.531 -6.596 4.605 1.00 0.00 C ATOM 957 C ALA A 65 -9.603 -5.381 5.524 1.00 0.00 C ATOM 958 O ALA A 65 -9.906 -5.507 6.710 1.00 0.00 O ATOM 959 CB ALA A 65 -8.103 -7.114 4.521 1.00 0.00 C ATOM 0 H ALA A 65 -9.364 -6.438 2.521 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.164 -7.377 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.741 -7.348 5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.078 -8.014 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.465 -6.352 4.074 1.00 0.00 H new ATOM 965 N GLN A 66 -9.321 -4.207 4.968 1.00 0.00 N ATOM 966 CA GLN A 66 -9.352 -2.971 5.740 1.00 0.00 C ATOM 967 C GLN A 66 -10.657 -2.217 5.508 1.00 0.00 C ATOM 968 O GLN A 66 -10.709 -0.994 5.631 1.00 0.00 O ATOM 969 CB GLN A 66 -8.163 -2.082 5.367 1.00 0.00 C ATOM 970 CG GLN A 66 -8.153 -1.662 3.906 1.00 0.00 C ATOM 971 CD GLN A 66 -6.840 -1.027 3.491 1.00 0.00 C ATOM 972 OE1 GLN A 66 -6.406 -0.033 4.075 1.00 0.00 O ATOM 973 NE2 GLN A 66 -6.200 -1.598 2.478 1.00 0.00 N ATOM 0 H GLN A 66 -9.069 -4.086 3.987 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.286 -3.230 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.177 -1.190 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.238 -2.614 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.345 -2.533 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.965 -0.957 3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.596 -2.420 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.312 -1.214 2.155 1.00 0.00 H new ATOM 982 N MET A 67 -11.709 -2.956 5.172 1.00 0.00 N ATOM 983 CA MET A 67 -13.016 -2.357 4.924 1.00 0.00 C ATOM 984 C MET A 67 -14.005 -2.736 6.021 1.00 0.00 C ATOM 985 O MET A 67 -13.833 -3.747 6.702 1.00 0.00 O ATOM 986 CB MET A 67 -13.553 -2.799 3.561 1.00 0.00 C ATOM 987 CG MET A 67 -12.895 -2.089 2.389 1.00 0.00 C ATOM 988 SD MET A 67 -13.780 -0.599 1.893 1.00 0.00 S ATOM 989 CE MET A 67 -15.285 -1.305 1.225 1.00 0.00 C ATOM 0 H MET A 67 -11.682 -3.970 5.065 1.00 0.00 H new ATOM 0 HA MET A 67 -12.897 -1.273 4.926 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.406 -3.874 3.453 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.628 -2.619 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.871 -1.827 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.838 -2.772 1.541 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.995 -0.508 1.007 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.056 -1.848 0.308 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.720 -1.989 1.953 1.00 0.00 H new ATOM 999 N SER A 68 -15.040 -1.920 6.187 1.00 0.00 N ATOM 1000 CA SER A 68 -16.055 -2.168 7.205 1.00 0.00 C ATOM 1001 C SER A 68 -17.424 -2.380 6.567 1.00 0.00 C ATOM 1002 O SER A 68 -17.742 -1.782 5.539 1.00 0.00 O ATOM 1003 CB SER A 68 -16.115 -1.000 8.191 1.00 0.00 C ATOM 1004 OG SER A 68 -16.108 0.243 7.511 1.00 0.00 O ATOM 0 H SER A 68 -15.199 -1.081 5.630 1.00 0.00 H new ATOM 0 HA SER A 68 -15.780 -3.075 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.016 -1.080 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.265 -1.051 8.871 1.00 0.00 H new ATOM 0 HG SER A 68 -15.217 0.406 7.137 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.231 -3.237 7.184 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.567 -3.528 6.678 1.00 0.00 C ATOM 1012 C VAL A 69 -20.376 -2.249 6.491 1.00 0.00 C ATOM 1013 O VAL A 69 -20.432 -1.403 7.381 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.332 -4.472 7.625 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.735 -4.735 7.099 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.570 -5.776 7.808 1.00 0.00 C ATOM 0 H VAL A 69 -17.983 -3.742 8.035 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.440 -4.018 5.713 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.419 -3.989 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.260 -5.404 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.278 -3.793 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.673 -5.197 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.125 -6.431 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.450 -6.266 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.589 -5.567 8.234 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.001 -2.116 5.325 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.799 -0.938 5.042 1.00 0.00 C ATOM 1028 C GLY A 70 -20.950 0.261 4.666 1.00 0.00 C ATOM 1029 O GLY A 70 -21.460 1.373 4.534 1.00 0.00 O ATOM 0 H GLY A 70 -20.969 -2.803 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.491 -1.158 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.402 -0.693 5.916 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.652 0.034 4.495 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.730 1.105 4.134 1.00 0.00 C ATOM 1035 C GLN A 71 -18.347 1.020 2.661 1.00 0.00 C ATOM 1036 O GLN A 71 -18.060 -0.060 2.145 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.474 1.040 5.005 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.725 2.360 5.091 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.221 2.184 5.015 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.562 1.934 6.024 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.670 2.312 3.814 1.00 0.00 N ATOM 0 H GLN A 71 -19.215 -0.881 4.600 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.233 2.057 4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.755 0.725 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.805 0.277 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.052 3.012 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.982 2.859 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.254 2.520 3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.662 2.203 3.701 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.346 2.167 1.988 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.999 2.222 0.573 1.00 0.00 C ATOM 1052 C ARG A 72 -16.740 3.056 0.354 1.00 0.00 C ATOM 1053 O ARG A 72 -16.598 4.142 0.913 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.159 2.807 -0.235 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.819 3.056 -1.696 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.066 3.342 -2.517 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.769 4.533 -2.049 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.372 5.773 -2.316 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.284 5.981 -3.045 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.065 6.806 -1.855 1.00 0.00 N ATOM 0 H ARG A 72 -18.582 3.070 2.400 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.804 1.205 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -20.009 2.127 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.472 3.746 0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.131 3.898 -1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.305 2.186 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.789 3.472 -3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.736 2.484 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.610 4.407 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.750 5.189 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.981 6.933 -3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.903 6.649 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.760 7.757 -2.060 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.829 2.538 -0.464 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.583 3.235 -0.759 1.00 0.00 C ATOM 1076 C ALA A 73 -13.991 2.764 -2.083 1.00 0.00 C ATOM 1077 O ALA A 73 -14.401 1.740 -2.629 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.585 3.031 0.371 1.00 0.00 C ATOM 0 H ALA A 73 -15.931 1.638 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.802 4.299 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.659 3.557 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.001 3.423 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.379 1.967 0.487 1.00 0.00 H new ATOM 1084 N LYS A 74 -13.025 3.519 -2.595 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.375 3.180 -3.855 1.00 0.00 C ATOM 1086 C LYS A 74 -11.109 2.364 -3.612 1.00 0.00 C ATOM 1087 O LYS A 74 -10.313 2.683 -2.727 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.033 4.451 -4.635 1.00 0.00 C ATOM 1089 CG LYS A 74 -10.666 5.023 -4.298 1.00 0.00 C ATOM 1090 CD LYS A 74 -10.431 6.353 -4.993 1.00 0.00 C ATOM 1091 CE LYS A 74 -11.442 7.400 -4.551 1.00 0.00 C ATOM 1092 NZ LYS A 74 -10.786 8.683 -4.177 1.00 0.00 N ATOM 0 H LYS A 74 -12.675 4.371 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.068 2.577 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.074 4.234 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.793 5.206 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.582 5.155 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.892 4.315 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.423 6.705 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.495 6.217 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.155 7.578 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.009 7.021 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.273 9.095 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.790 8.506 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.836 9.345 -4.978 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.928 1.312 -4.402 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.757 0.451 -4.274 1.00 0.00 C ATOM 1108 C LEU A 75 -8.803 0.651 -5.448 1.00 0.00 C ATOM 1109 O LEU A 75 -8.969 0.043 -6.506 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.184 -1.015 -4.192 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.412 -1.885 -3.199 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -10.067 -3.251 -3.065 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -7.960 -2.027 -3.631 1.00 0.00 C ATOM 0 H LEU A 75 -11.577 1.034 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.235 0.722 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.241 -1.050 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.087 -1.457 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.434 -1.398 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.504 -3.856 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.090 -3.131 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.077 -3.747 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.426 -2.649 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.917 -2.492 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.495 -1.042 -3.674 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.803 1.504 -5.253 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.820 1.781 -6.294 1.00 0.00 C ATOM 1127 C VAL A 76 -5.538 0.989 -6.064 1.00 0.00 C ATOM 1128 O VAL A 76 -4.721 1.345 -5.213 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.480 3.282 -6.359 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.120 3.808 -4.978 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.347 3.528 -7.344 1.00 0.00 C ATOM 0 H VAL A 76 -7.652 2.016 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.266 1.476 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.360 3.822 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.883 4.870 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.964 3.666 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.255 3.266 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.119 4.593 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.462 2.978 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.647 3.189 -8.336 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.367 -0.084 -6.827 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.183 -0.928 -6.707 1.00 0.00 C ATOM 1143 C CYS A 77 -3.503 -1.106 -8.060 1.00 0.00 C ATOM 1144 O CYS A 77 -4.101 -0.852 -9.105 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.561 -2.292 -6.128 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.945 -3.094 -6.970 1.00 0.00 S ATOM 0 H CYS A 77 -6.033 -0.391 -7.536 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.483 -0.436 -6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.692 -2.948 -6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.812 -2.170 -5.074 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.705 -4.367 -7.084 1.00 0.00 H new ATOM 1152 N SER A 78 -2.248 -1.543 -8.032 1.00 0.00 N ATOM 1153 CA SER A 78 -1.484 -1.751 -9.257 1.00 0.00 C ATOM 1154 C SER A 78 -1.814 -3.103 -9.881 1.00 0.00 C ATOM 1155 O SER A 78 -2.437 -3.966 -9.262 1.00 0.00 O ATOM 1156 CB SER A 78 0.016 -1.662 -8.968 1.00 0.00 C ATOM 1157 OG SER A 78 0.581 -0.504 -9.558 1.00 0.00 O ATOM 0 H SER A 78 -1.739 -1.760 -7.175 1.00 0.00 H new ATOM 0 HA SER A 78 -1.758 -0.968 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.182 -1.643 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.517 -2.551 -9.352 1.00 0.00 H new ATOM 0 HG SER A 78 1.540 -0.469 -9.357 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.386 -3.294 -11.138 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.623 -4.539 -11.874 1.00 0.00 C ATOM 1165 C PRO A 79 -0.814 -5.705 -11.317 1.00 0.00 C ATOM 1166 O PRO A 79 -1.211 -6.864 -11.441 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.167 -4.203 -13.296 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.175 -3.105 -13.126 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.637 -2.309 -11.936 1.00 0.00 C ATOM 0 HA PRO A 79 -2.663 -4.859 -11.809 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.719 -5.069 -13.783 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.006 -3.886 -13.916 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.826 -3.505 -12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.127 -2.481 -14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.203 -1.895 -11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.266 -1.470 -12.233 1.00 0.00 H new ATOM 1177 N ASP A 80 0.322 -5.392 -10.704 1.00 0.00 N ATOM 1178 CA ASP A 80 1.186 -6.414 -10.126 1.00 0.00 C ATOM 1179 C ASP A 80 0.460 -7.182 -9.026 1.00 0.00 C ATOM 1180 O ASP A 80 0.756 -8.349 -8.771 1.00 0.00 O ATOM 1181 CB ASP A 80 2.460 -5.779 -9.566 1.00 0.00 C ATOM 1182 CG ASP A 80 3.390 -6.800 -8.940 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.613 -7.859 -9.563 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.894 -6.538 -7.829 1.00 0.00 O ATOM 0 H ASP A 80 0.666 -4.438 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 80 1.456 -7.115 -10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.984 -5.257 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.192 -5.031 -8.820 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.490 -6.518 -8.377 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.256 -7.136 -7.301 1.00 0.00 C ATOM 1191 C TYR A 81 -2.686 -7.426 -7.748 1.00 0.00 C ATOM 1192 O TYR A 81 -3.573 -7.645 -6.923 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.268 -6.230 -6.069 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.149 -6.518 -5.094 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.116 -6.877 -5.544 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.356 -6.430 -3.723 1.00 0.00 C ATOM 1197 CE1 TYR A 81 2.141 -7.142 -4.657 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.664 -6.691 -2.829 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.910 -7.048 -3.300 1.00 0.00 C ATOM 1200 OH TYR A 81 2.929 -7.309 -2.413 1.00 0.00 O ATOM 0 H TYR A 81 -0.748 -5.552 -8.577 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.776 -8.080 -7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.199 -5.191 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.223 -6.341 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.301 -6.950 -6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.331 -6.153 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.118 -7.421 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.487 -6.616 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 81 2.601 -7.197 -1.496 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.900 -7.426 -9.059 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.221 -7.691 -9.617 1.00 0.00 C ATOM 1212 C ALA A 82 -4.115 -8.307 -11.008 1.00 0.00 C ATOM 1213 O ALA A 82 -3.042 -8.743 -11.425 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.040 -6.410 -9.665 1.00 0.00 C ATOM 0 H ALA A 82 -2.176 -7.246 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.726 -8.407 -8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.024 -6.623 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.153 -6.012 -8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.531 -5.676 -10.289 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.235 -8.339 -11.722 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.269 -8.904 -13.066 1.00 0.00 C ATOM 1222 C TYR A 83 -5.018 -7.827 -14.116 1.00 0.00 C ATOM 1223 O TYR A 83 -5.297 -8.020 -15.299 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.617 -9.580 -13.323 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.802 -8.762 -12.863 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.063 -7.511 -13.408 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.663 -9.241 -11.882 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.144 -6.760 -12.990 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.747 -8.497 -11.459 1.00 0.00 C ATOM 1230 CZ TYR A 83 -9.983 -7.257 -12.015 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.062 -6.513 -11.597 1.00 0.00 O ATOM 0 H TYR A 83 -6.131 -7.980 -11.393 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.477 -9.649 -13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.716 -9.780 -14.390 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.633 -10.544 -12.815 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.409 -7.119 -14.172 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.481 -10.211 -11.443 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.331 -5.789 -13.424 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.407 -8.884 -10.697 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.868 -5.560 -11.716 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.488 -6.690 -13.675 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.208 -5.598 -14.588 1.00 0.00 C ATOM 1243 C GLY A 84 -3.072 -5.916 -15.540 1.00 0.00 C ATOM 1244 O GLY A 84 -2.974 -5.330 -16.618 1.00 0.00 O ATOM 0 H GLY A 84 -4.248 -6.506 -12.701 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.106 -5.369 -15.162 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.959 -4.704 -14.016 1.00 0.00 H new ATOM 1248 N SER A 85 -2.210 -6.846 -15.141 1.00 0.00 N ATOM 1249 CA SER A 85 -1.072 -7.237 -15.965 1.00 0.00 C ATOM 1250 C SER A 85 -1.512 -7.531 -17.396 1.00 0.00 C ATOM 1251 O SER A 85 -1.220 -6.767 -18.316 1.00 0.00 O ATOM 1252 CB SER A 85 -0.382 -8.465 -15.369 1.00 0.00 C ATOM 1253 OG SER A 85 0.759 -8.828 -16.127 1.00 0.00 O ATOM 0 H SER A 85 -2.278 -7.343 -14.253 1.00 0.00 H new ATOM 0 HA SER A 85 -0.367 -6.406 -15.984 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.088 -8.257 -14.340 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.082 -9.300 -15.338 1.00 0.00 H new ATOM 0 HG SER A 85 1.038 -8.070 -16.682 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.217 -8.643 -17.575 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.697 -9.040 -18.893 1.00 0.00 C ATOM 1261 C ARG A 86 -3.778 -8.084 -19.388 1.00 0.00 C ATOM 1262 O ARG A 86 -3.634 -7.459 -20.438 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.244 -10.468 -18.851 1.00 0.00 C ATOM 1264 CG ARG A 86 -4.029 -10.856 -20.094 1.00 0.00 C ATOM 1265 CD ARG A 86 -3.232 -10.592 -21.361 1.00 0.00 C ATOM 1266 NE ARG A 86 -3.386 -11.666 -22.338 1.00 0.00 N ATOM 1267 CZ ARG A 86 -2.582 -11.831 -23.383 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -1.572 -10.996 -23.584 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -2.786 -12.833 -24.228 1.00 0.00 N ATOM 0 H ARG A 86 -2.469 -9.285 -16.824 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.856 -9.001 -19.586 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.414 -11.163 -18.724 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.886 -10.577 -17.977 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.294 -11.912 -20.043 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.962 -10.294 -20.126 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.556 -9.650 -21.804 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.177 -10.480 -21.109 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.153 -12.326 -22.211 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.411 -10.225 -22.936 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.956 -11.125 -24.387 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.561 -13.478 -24.076 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.168 -12.958 -25.030 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.860 -7.976 -18.624 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.950 -7.095 -19.002 1.00 0.00 C ATOM 1285 C GLY A 87 -6.646 -7.545 -20.271 1.00 0.00 C ATOM 1286 O GLY A 87 -6.462 -8.676 -20.721 1.00 0.00 O ATOM 0 H GLY A 87 -5.002 -8.483 -17.750 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.675 -7.051 -18.190 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.565 -6.085 -19.141 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.451 -6.659 -20.850 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.178 -6.972 -22.074 1.00 0.00 C ATOM 1292 C HIS A 88 -8.483 -5.703 -22.865 1.00 0.00 C ATOM 1293 O HIS A 88 -8.522 -4.599 -22.322 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.478 -7.707 -21.746 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.332 -9.197 -21.713 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.694 -9.913 -22.704 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.744 -10.107 -20.799 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.722 -11.199 -22.402 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.353 -11.343 -21.251 1.00 0.00 N ATOM 0 H HIS A 88 -7.616 -5.719 -20.491 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.548 -7.618 -22.686 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.845 -7.365 -20.778 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.233 -7.440 -22.486 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.280 -9.899 -19.885 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.300 -11.997 -22.996 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.522 -12.229 -20.775 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.704 -5.862 -24.178 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.008 -4.740 -25.071 1.00 0.00 C ATOM 1309 C PRO A 89 -10.390 -4.151 -24.811 1.00 0.00 C ATOM 1310 O PRO A 89 -11.405 -4.823 -24.986 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.949 -5.370 -26.465 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.246 -6.813 -26.241 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.673 -7.149 -24.892 1.00 0.00 C ATOM 0 HA PRO A 89 -8.315 -3.910 -24.934 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.678 -4.915 -27.136 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.968 -5.234 -26.920 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.320 -6.999 -26.266 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.797 -7.429 -27.020 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.267 -7.907 -24.381 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.659 -7.540 -24.972 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.421 -2.889 -24.392 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.684 -2.230 -24.115 1.00 0.00 C ATOM 1323 C GLY A 90 -12.219 -2.560 -22.735 1.00 0.00 C ATOM 1324 O GLY A 90 -13.342 -2.190 -22.392 1.00 0.00 O ATOM 0 H GLY A 90 -9.594 -2.312 -24.240 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.555 -1.151 -24.203 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.417 -2.525 -24.866 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.414 -3.259 -21.941 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.813 -3.639 -20.591 1.00 0.00 C ATOM 1330 C VAL A 91 -10.745 -3.255 -19.574 1.00 0.00 C ATOM 1331 O VAL A 91 -11.006 -2.490 -18.644 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.082 -5.152 -20.491 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.624 -5.508 -19.115 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.043 -5.596 -21.583 1.00 0.00 C ATOM 0 H VAL A 91 -10.482 -3.574 -22.209 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.733 -3.098 -20.368 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.139 -5.681 -20.632 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.808 -6.581 -19.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.896 -5.227 -18.354 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.556 -4.971 -18.941 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.221 -6.668 -21.497 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.987 -5.061 -21.477 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.610 -5.378 -22.559 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.542 -3.789 -19.756 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.434 -3.500 -18.855 1.00 0.00 C ATOM 1346 C ILE A 92 -7.159 -3.190 -19.632 1.00 0.00 C ATOM 1347 O ILE A 92 -6.795 -3.888 -20.579 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.165 -4.677 -17.898 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.408 -4.971 -17.055 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.972 -4.371 -17.005 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.238 -6.147 -16.119 1.00 0.00 C ATOM 0 H ILE A 92 -9.310 -4.424 -20.520 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.722 -2.626 -18.271 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.933 -5.562 -18.490 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.659 -4.085 -16.471 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.250 -5.164 -17.719 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.794 -5.212 -16.334 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.089 -4.206 -17.622 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.177 -3.476 -16.418 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.157 -6.298 -15.553 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.017 -7.044 -16.698 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.417 -5.948 -15.430 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.463 -2.119 -19.224 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.216 -1.694 -19.867 1.00 0.00 C ATOM 1365 C PRO A 93 -4.068 -2.662 -19.604 1.00 0.00 C ATOM 1366 O PRO A 93 -4.093 -3.450 -18.658 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.929 -0.336 -19.220 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.613 -0.395 -17.898 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.838 -1.242 -18.102 1.00 0.00 C ATOM 0 HA PRO A 93 -5.310 -1.654 -20.952 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.858 -0.171 -19.105 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.314 0.482 -19.829 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.961 -0.829 -17.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.882 0.603 -17.553 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.083 -1.816 -17.208 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.711 -0.635 -18.341 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.037 -2.605 -20.460 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.860 -3.470 -20.340 1.00 0.00 C ATOM 1379 C PRO A 94 -1.002 -3.118 -19.130 1.00 0.00 C ATOM 1380 O PRO A 94 -0.235 -2.156 -19.160 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.090 -3.204 -21.637 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.511 -1.837 -22.053 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.940 -1.691 -21.610 1.00 0.00 C ATOM 0 HA PRO A 94 -2.136 -4.515 -20.198 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.013 -3.255 -21.476 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.333 -3.943 -22.401 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.880 -1.077 -21.592 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.422 -1.713 -23.132 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.170 -0.664 -21.327 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.636 -1.967 -22.402 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.137 -3.903 -18.066 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.373 -3.673 -16.845 1.00 0.00 C ATOM 1393 C ASN A 95 -0.454 -2.210 -16.420 1.00 0.00 C ATOM 1394 O ASN A 95 0.559 -1.512 -16.365 1.00 0.00 O ATOM 1395 CB ASN A 95 1.088 -4.077 -17.049 1.00 0.00 C ATOM 1396 CG ASN A 95 1.236 -5.260 -17.985 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.303 -6.409 -17.546 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.287 -4.985 -19.283 1.00 0.00 N ATOM 0 H ASN A 95 -1.768 -4.703 -18.025 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.805 -4.287 -16.055 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.644 -3.229 -17.449 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.532 -4.323 -16.084 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.385 -5.741 -19.961 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.228 -4.018 -19.602 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.665 -1.752 -16.121 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.878 -0.373 -15.699 1.00 0.00 C ATOM 1407 C ALA A 96 -2.695 -0.312 -14.413 1.00 0.00 C ATOM 1408 O ALA A 96 -3.531 -1.179 -14.154 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.567 0.416 -16.802 1.00 0.00 C ATOM 0 H ALA A 96 -2.514 -2.316 -16.163 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.904 0.075 -15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.720 1.444 -16.473 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.945 0.410 -17.697 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.531 -0.040 -17.028 1.00 0.00 H new ATOM 1415 N THR A 97 -2.448 0.717 -13.608 1.00 0.00 N ATOM 1416 CA THR A 97 -3.159 0.889 -12.348 1.00 0.00 C ATOM 1417 C THR A 97 -4.668 0.896 -12.564 1.00 0.00 C ATOM 1418 O THR A 97 -5.159 1.418 -13.566 1.00 0.00 O ATOM 1419 CB THR A 97 -2.746 2.196 -11.644 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.361 2.466 -11.886 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.997 2.107 -10.147 1.00 0.00 C ATOM 0 H THR A 97 -1.761 1.444 -13.807 1.00 0.00 H new ATOM 0 HA THR A 97 -2.890 0.043 -11.715 1.00 0.00 H new ATOM 0 HB THR A 97 -3.350 3.008 -12.049 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.107 3.299 -11.437 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.698 3.041 -9.672 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.057 1.931 -9.966 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.416 1.285 -9.729 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.399 0.314 -11.620 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.854 0.254 -11.707 1.00 0.00 C ATOM 1431 C LEU A 98 -7.495 0.620 -10.372 1.00 0.00 C ATOM 1432 O LEU A 98 -6.943 0.340 -9.308 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.301 -1.145 -12.134 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.518 -1.779 -13.284 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.929 -3.231 -13.474 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.726 -0.991 -14.569 1.00 0.00 C ATOM 0 H LEU A 98 -5.008 -0.123 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.179 0.977 -12.455 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.235 -1.805 -11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.352 -1.097 -12.420 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.458 -1.753 -13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.361 -3.665 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.727 -3.789 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.994 -3.281 -13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.161 -1.457 -15.377 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.786 -0.984 -14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.380 0.033 -14.428 1.00 0.00 H new ATOM 1448 N THR A 99 -8.665 1.248 -10.436 1.00 0.00 N ATOM 1449 CA THR A 99 -9.382 1.652 -9.234 1.00 0.00 C ATOM 1450 C THR A 99 -10.796 1.081 -9.219 1.00 0.00 C ATOM 1451 O THR A 99 -11.690 1.592 -9.893 1.00 0.00 O ATOM 1452 CB THR A 99 -9.459 3.185 -9.114 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.142 3.746 -9.152 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.152 3.593 -7.822 1.00 0.00 C ATOM 0 H THR A 99 -9.136 1.488 -11.308 1.00 0.00 H new ATOM 0 HA THR A 99 -8.824 1.256 -8.386 1.00 0.00 H new ATOM 0 HB THR A 99 -10.040 3.564 -9.955 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.200 4.721 -9.077 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.194 4.680 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.164 3.189 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.594 3.202 -6.971 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.992 0.019 -8.444 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.298 -0.622 -8.342 1.00 0.00 C ATOM 1464 C PHE A 100 -12.996 -0.228 -7.044 1.00 0.00 C ATOM 1465 O PHE A 100 -12.481 -0.468 -5.952 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.150 -2.143 -8.414 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.618 -2.632 -9.730 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.253 -2.691 -9.962 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.483 -3.032 -10.737 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.760 -3.141 -11.172 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.995 -3.484 -11.949 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.632 -3.537 -12.167 1.00 0.00 C ATOM 0 H PHE A 100 -10.263 -0.416 -7.878 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.908 -0.284 -9.179 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.484 -2.473 -7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.121 -2.604 -8.230 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.566 -2.382 -9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.550 -2.990 -10.573 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.694 -3.183 -11.339 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.679 -3.795 -12.725 1.00 0.00 H new ATOM 0 HZ PHE A 100 -10.249 -3.888 -13.114 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.171 0.378 -7.172 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.942 0.805 -6.009 1.00 0.00 C ATOM 1484 C ASP A 101 -15.519 -0.397 -5.268 1.00 0.00 C ATOM 1485 O ASP A 101 -16.349 -1.131 -5.806 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.069 1.747 -6.436 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.725 3.205 -6.205 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -15.011 3.498 -5.222 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.168 4.053 -7.006 1.00 0.00 O ATOM 0 H ASP A 101 -14.611 0.585 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.271 1.336 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.288 1.591 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.975 1.499 -5.883 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.074 -0.592 -4.031 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.546 -1.705 -3.216 1.00 0.00 C ATOM 1496 C VAL A 102 -16.467 -1.219 -2.103 1.00 0.00 C ATOM 1497 O VAL A 102 -16.149 -0.266 -1.393 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.371 -2.482 -2.593 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.885 -3.623 -1.728 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.441 -3.002 -3.678 1.00 0.00 C ATOM 0 H VAL A 102 -14.387 0.006 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.101 -2.370 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.805 -1.802 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.041 -4.161 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.507 -3.221 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.476 -4.305 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.617 -3.548 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.993 -3.668 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.046 -2.163 -4.251 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.610 -1.882 -1.957 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.578 -1.517 -0.929 1.00 0.00 C ATOM 1512 C GLU A 103 -18.979 -2.734 -0.101 1.00 0.00 C ATOM 1513 O GLU A 103 -19.640 -3.647 -0.598 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.820 -0.889 -1.567 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.924 -0.579 -0.571 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.160 0.000 -1.232 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.299 -0.148 -2.464 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.989 0.601 -0.517 1.00 0.00 O ATOM 0 H GLU A 103 -17.888 -2.674 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.109 -0.788 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.531 0.031 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.208 -1.565 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.195 -1.491 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.550 0.125 0.172 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.574 -2.741 1.164 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.889 -3.846 2.062 1.00 0.00 C ATOM 1527 C LEU A 104 -20.392 -3.935 2.310 1.00 0.00 C ATOM 1528 O LEU A 104 -21.043 -2.934 2.610 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.152 -3.675 3.392 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.715 -4.965 4.087 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.845 -5.982 4.086 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.477 -5.540 3.415 1.00 0.00 C ATOM 0 H LEU A 104 -18.027 -1.994 1.591 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.561 -4.771 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.268 -3.062 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.797 -3.119 4.073 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.466 -4.730 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.515 -6.893 4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.705 -5.571 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.126 -6.212 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.180 -6.458 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.698 -5.759 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.664 -4.816 3.470 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.937 -5.140 2.183 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.363 -5.361 2.395 1.00 0.00 C ATOM 1546 C LEU A 105 -22.603 -6.208 3.640 1.00 0.00 C ATOM 1547 O LEU A 105 -23.591 -6.019 4.351 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.980 -6.043 1.173 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.599 -5.115 0.127 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.724 -4.295 0.740 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.538 -4.204 -0.472 1.00 0.00 C ATOM 0 H LEU A 105 -20.413 -5.979 1.934 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.839 -4.391 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.209 -6.641 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.750 -6.734 1.517 1.00 0.00 H new ATOM 0 HG LEU A 105 -24.017 -5.727 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.152 -3.641 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.496 -4.964 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.331 -3.692 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.996 -3.551 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.090 -3.599 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.766 -4.809 -0.948 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.693 -7.142 3.900 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.806 -8.017 5.060 1.00 0.00 C ATOM 1565 C ARG A 106 -20.631 -8.988 5.125 1.00 0.00 C ATOM 1566 O ARG A 106 -19.909 -9.173 4.144 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.122 -8.796 5.012 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.437 -9.377 3.643 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.135 -10.723 3.756 1.00 0.00 C ATOM 1570 NE ARG A 106 -25.579 -10.578 3.923 1.00 0.00 N ATOM 1571 CZ ARG A 106 -26.404 -11.604 4.102 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -25.930 -12.842 4.139 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.706 -11.392 4.246 1.00 0.00 N ATOM 0 H ARG A 106 -20.870 -7.312 3.322 1.00 0.00 H new ATOM 0 HA ARG A 106 -21.792 -7.395 5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.082 -9.606 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.936 -8.137 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.070 -8.683 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.514 -9.491 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -23.931 -11.313 2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -23.726 -11.274 4.603 1.00 0.00 H new ATOM 0 HE ARG A 106 -25.975 -9.638 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -24.930 -13.009 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -26.566 -13.628 4.277 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -28.074 -10.441 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -28.339 -12.180 4.383 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.443 -9.606 6.287 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.356 -10.558 6.480 1.00 0.00 C ATOM 1589 C VAL A 107 -19.881 -11.895 6.991 1.00 0.00 C ATOM 1590 O VAL A 107 -20.846 -11.943 7.753 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.307 -10.019 7.469 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -18.951 -9.702 8.811 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.171 -11.016 7.637 1.00 0.00 C ATOM 0 H VAL A 107 -21.030 -9.464 7.109 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.886 -10.703 5.507 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.893 -9.096 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.194 -9.322 9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -19.727 -8.949 8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.394 -10.608 9.225 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.439 -10.618 8.340 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.566 -11.957 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.692 -11.188 6.673 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.239 -12.979 6.566 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.642 -14.317 6.981 1.00 0.00 C ATOM 1605 C GLU A 108 -18.422 -15.203 7.219 1.00 0.00 C ATOM 1606 O GLU A 108 -17.651 -15.474 6.300 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.548 -14.952 5.924 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.969 -14.413 5.938 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.975 -15.406 5.388 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.579 -16.251 4.558 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -24.156 -15.337 5.787 1.00 0.00 O ATOM 0 H GLU A 108 -18.438 -12.956 5.935 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.194 -14.228 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -20.115 -14.785 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.576 -16.030 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -22.244 -14.151 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -22.011 -13.496 5.351 1.00 0.00 H new