USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 786 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 74 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0217) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 MET CE :methyl 165:sc= -0.45 (180deg=-0.748) USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00478) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 74:sc= 0.0657 USER MOD Single : A 16 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.5!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 26 SER OG : rot 140:sc= -0.552 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.152 F(o=-0.68,f=-0.15) USER MOD Single : A 36 MET CE :methyl 138:sc= -0.874 (180deg=-2.52!) USER MOD Single : A 43 CYS SG : rot -8:sc= 0.487 USER MOD Single : A 44 TYR OH : rot -9:sc= 0.63 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 86:sc= -0.023 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 177:sc= 0.00246 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0864 K(o=-0.086,f=-1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 78 HIS : no HE2:sc= -0.158! C(o=-0.16!,f=-6.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.276 10.426 -8.163 1.00 0.00 N ATOM 2 CA GLY A 1 20.396 11.045 -6.856 1.00 0.00 C ATOM 3 C GLY A 1 19.192 10.777 -5.974 1.00 0.00 C ATOM 4 O GLY A 1 19.337 10.454 -4.795 1.00 0.00 O ATOM 0 H1 GLY A 1 21.138 10.610 -8.715 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.149 9.400 -8.051 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.454 10.824 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.294 10.673 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.521 12.121 -6.977 1.00 0.00 H new ATOM 8 N SER A 2 18.000 10.912 -6.546 1.00 0.00 N ATOM 9 CA SER A 2 16.766 10.687 -5.803 1.00 0.00 C ATOM 10 C SER A 2 16.648 11.664 -4.636 1.00 0.00 C ATOM 11 O SER A 2 17.569 12.433 -4.362 1.00 0.00 O ATOM 12 CB SER A 2 16.711 9.249 -5.286 1.00 0.00 C ATOM 13 OG SER A 2 15.981 8.416 -6.171 1.00 0.00 O ATOM 0 H SER A 2 17.863 11.176 -7.522 1.00 0.00 H new ATOM 0 HA SER A 2 15.928 10.854 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.723 8.862 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.248 9.231 -4.300 1.00 0.00 H new ATOM 0 HG SER A 2 15.962 7.502 -5.819 1.00 0.00 H new ATOM 19 N SER A 3 15.509 11.626 -3.953 1.00 0.00 N ATOM 20 CA SER A 3 15.268 12.508 -2.818 1.00 0.00 C ATOM 21 C SER A 3 14.978 11.703 -1.555 1.00 0.00 C ATOM 22 O SER A 3 13.844 11.287 -1.319 1.00 0.00 O ATOM 23 CB SER A 3 14.100 13.451 -3.117 1.00 0.00 C ATOM 24 OG SER A 3 14.543 14.614 -3.795 1.00 0.00 O ATOM 0 H SER A 3 14.738 10.993 -4.166 1.00 0.00 H new ATOM 0 HA SER A 3 16.169 13.099 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.357 12.933 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.610 13.734 -2.186 1.00 0.00 H new ATOM 0 HG SER A 3 13.778 15.199 -3.976 1.00 0.00 H new ATOM 30 N GLY A 4 16.011 11.489 -0.747 1.00 0.00 N ATOM 31 CA GLY A 4 15.847 10.735 0.482 1.00 0.00 C ATOM 32 C GLY A 4 14.943 11.437 1.477 1.00 0.00 C ATOM 33 O GLY A 4 14.537 12.578 1.259 1.00 0.00 O ATOM 0 H GLY A 4 16.959 11.824 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.434 9.753 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.824 10.570 0.937 1.00 0.00 H new ATOM 37 N SER A 5 14.628 10.752 2.572 1.00 0.00 N ATOM 38 CA SER A 5 13.763 11.316 3.602 1.00 0.00 C ATOM 39 C SER A 5 13.434 10.272 4.666 1.00 0.00 C ATOM 40 O SER A 5 12.662 9.344 4.423 1.00 0.00 O ATOM 41 CB SER A 5 12.472 11.850 2.978 1.00 0.00 C ATOM 42 OG SER A 5 11.487 12.087 3.969 1.00 0.00 O ATOM 0 H SER A 5 14.958 9.807 2.769 1.00 0.00 H new ATOM 0 HA SER A 5 14.295 12.140 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.680 12.774 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.094 11.134 2.248 1.00 0.00 H new ATOM 0 HG SER A 5 10.672 12.429 3.545 1.00 0.00 H new ATOM 48 N SER A 6 14.026 10.431 5.844 1.00 0.00 N ATOM 49 CA SER A 6 13.800 9.500 6.945 1.00 0.00 C ATOM 50 C SER A 6 12.749 10.044 7.908 1.00 0.00 C ATOM 51 O SER A 6 12.836 11.184 8.362 1.00 0.00 O ATOM 52 CB SER A 6 15.108 9.238 7.695 1.00 0.00 C ATOM 53 OG SER A 6 15.049 8.014 8.407 1.00 0.00 O ATOM 0 H SER A 6 14.666 11.195 6.062 1.00 0.00 H new ATOM 0 HA SER A 6 13.435 8.562 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.938 9.212 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.305 10.057 8.387 1.00 0.00 H new ATOM 0 HG SER A 6 15.897 7.868 8.877 1.00 0.00 H new ATOM 59 N GLY A 7 11.753 9.217 8.216 1.00 0.00 N ATOM 60 CA GLY A 7 10.699 9.631 9.122 1.00 0.00 C ATOM 61 C GLY A 7 9.819 10.716 8.532 1.00 0.00 C ATOM 62 O GLY A 7 9.865 11.866 8.963 1.00 0.00 O ATOM 0 H GLY A 7 11.658 8.268 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.084 8.768 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.143 9.992 10.050 1.00 0.00 H new ATOM 66 N GLY A 8 9.014 10.347 7.539 1.00 0.00 N ATOM 67 CA GLY A 8 8.133 11.309 6.903 1.00 0.00 C ATOM 68 C GLY A 8 7.426 12.200 7.905 1.00 0.00 C ATOM 69 O GLY A 8 7.098 11.781 9.015 1.00 0.00 O ATOM 0 H GLY A 8 8.957 9.400 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.711 11.927 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.391 10.778 6.307 1.00 0.00 H new ATOM 73 N PRO A 9 7.182 13.459 7.515 1.00 0.00 N ATOM 74 CA PRO A 9 6.508 14.437 8.374 1.00 0.00 C ATOM 75 C PRO A 9 5.032 14.111 8.577 1.00 0.00 C ATOM 76 O PRO A 9 4.445 13.305 7.855 1.00 0.00 O ATOM 77 CB PRO A 9 6.663 15.752 7.605 1.00 0.00 C ATOM 78 CG PRO A 9 6.817 15.341 6.181 1.00 0.00 C ATOM 79 CD PRO A 9 7.545 14.026 6.206 1.00 0.00 C ATOM 0 HA PRO A 9 6.935 14.460 9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.793 16.395 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.531 16.313 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.846 15.240 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.378 16.087 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.232 13.378 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.622 14.161 6.112 1.00 0.00 H new ATOM 87 N PRO A 10 4.417 14.750 9.583 1.00 0.00 N ATOM 88 CA PRO A 10 3.001 14.545 9.903 1.00 0.00 C ATOM 89 C PRO A 10 2.076 15.124 8.839 1.00 0.00 C ATOM 90 O PRO A 10 2.432 16.073 8.143 1.00 0.00 O ATOM 91 CB PRO A 10 2.825 15.292 11.228 1.00 0.00 C ATOM 92 CG PRO A 10 3.894 16.330 11.222 1.00 0.00 C ATOM 93 CD PRO A 10 5.056 15.725 10.484 1.00 0.00 C ATOM 0 HA PRO A 10 2.745 13.487 9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.835 15.743 11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.931 14.619 12.079 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.551 17.240 10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.177 16.604 12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.616 16.478 9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.758 15.243 11.165 1.00 0.00 H new ATOM 101 N SER A 11 0.886 14.544 8.717 1.00 0.00 N ATOM 102 CA SER A 11 -0.090 15.001 7.734 1.00 0.00 C ATOM 103 C SER A 11 0.343 14.620 6.321 1.00 0.00 C ATOM 104 O SER A 11 1.492 14.238 6.095 1.00 0.00 O ATOM 105 CB SER A 11 -0.275 16.516 7.833 1.00 0.00 C ATOM 106 OG SER A 11 -1.613 16.886 7.550 1.00 0.00 O ATOM 0 H SER A 11 0.575 13.757 9.286 1.00 0.00 H new ATOM 0 HA SER A 11 -1.041 14.512 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.005 16.854 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.399 17.014 7.136 1.00 0.00 H new ATOM 0 HG SER A 11 -1.705 17.859 7.622 1.00 0.00 H new ATOM 112 N ARG A 12 -0.584 14.728 5.376 1.00 0.00 N ATOM 113 CA ARG A 12 -0.299 14.394 3.985 1.00 0.00 C ATOM 114 C ARG A 12 0.981 15.077 3.514 1.00 0.00 C ATOM 115 O ARG A 12 1.312 16.175 3.961 1.00 0.00 O ATOM 116 CB ARG A 12 -1.469 14.807 3.090 1.00 0.00 C ATOM 117 CG ARG A 12 -2.704 13.938 3.264 1.00 0.00 C ATOM 118 CD ARG A 12 -3.824 14.367 2.329 1.00 0.00 C ATOM 119 NE ARG A 12 -5.142 14.024 2.858 1.00 0.00 N ATOM 120 CZ ARG A 12 -6.265 14.620 2.474 1.00 0.00 C ATOM 121 NH1 ARG A 12 -6.232 15.583 1.564 1.00 0.00 N ATOM 122 NH2 ARG A 12 -7.425 14.252 3.002 1.00 0.00 N ATOM 0 H ARG A 12 -1.539 15.044 5.547 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.161 13.315 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.731 15.843 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.151 14.767 2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.447 12.896 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.048 13.996 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.768 15.443 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.688 13.890 1.358 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.203 13.287 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.342 15.869 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.097 16.038 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.454 13.511 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.288 14.710 2.707 1.00 0.00 H new ATOM 136 N ARG A 13 1.697 14.420 2.608 1.00 0.00 N ATOM 137 CA ARG A 13 2.942 14.963 2.076 1.00 0.00 C ATOM 138 C ARG A 13 2.670 15.892 0.897 1.00 0.00 C ATOM 139 O ARG A 13 3.598 16.400 0.268 1.00 0.00 O ATOM 140 CB ARG A 13 3.873 13.830 1.643 1.00 0.00 C ATOM 141 CG ARG A 13 5.257 13.905 2.268 1.00 0.00 C ATOM 142 CD ARG A 13 5.742 15.343 2.374 1.00 0.00 C ATOM 143 NE ARG A 13 7.090 15.506 1.835 1.00 0.00 N ATOM 144 CZ ARG A 13 7.379 15.428 0.541 1.00 0.00 C ATOM 145 NH1 ARG A 13 6.419 15.191 -0.343 1.00 0.00 N ATOM 146 NH2 ARG A 13 8.630 15.588 0.129 1.00 0.00 N ATOM 0 H ARG A 13 1.437 13.511 2.226 1.00 0.00 H new ATOM 0 HA ARG A 13 3.425 15.539 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.416 12.876 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.972 13.848 0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.235 13.453 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.960 13.326 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.055 15.998 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.729 15.654 3.419 1.00 0.00 H new ATOM 0 HE ARG A 13 7.851 15.690 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.456 15.068 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.644 15.132 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.370 15.771 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.851 15.528 -0.865 1.00 0.00 H new ATOM 160 N SER A 14 1.392 16.109 0.603 1.00 0.00 N ATOM 161 CA SER A 14 0.998 16.973 -0.504 1.00 0.00 C ATOM 162 C SER A 14 -0.495 16.840 -0.791 1.00 0.00 C ATOM 163 O SER A 14 -1.273 17.752 -0.516 1.00 0.00 O ATOM 164 CB SER A 14 1.804 16.630 -1.758 1.00 0.00 C ATOM 165 OG SER A 14 2.641 17.708 -2.137 1.00 0.00 O ATOM 0 H SER A 14 0.612 15.698 1.116 1.00 0.00 H new ATOM 0 HA SER A 14 1.205 18.005 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.410 15.743 -1.573 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.125 16.388 -2.576 1.00 0.00 H new ATOM 0 HG SER A 14 3.396 17.770 -1.516 1.00 0.00 H new ATOM 171 N GLU A 15 -0.884 15.698 -1.347 1.00 0.00 N ATOM 172 CA GLU A 15 -2.283 15.446 -1.674 1.00 0.00 C ATOM 173 C GLU A 15 -2.447 14.092 -2.359 1.00 0.00 C ATOM 174 O GLU A 15 -3.418 13.376 -2.117 1.00 0.00 O ATOM 175 CB GLU A 15 -2.827 16.556 -2.575 1.00 0.00 C ATOM 176 CG GLU A 15 -1.823 17.055 -3.601 1.00 0.00 C ATOM 177 CD GLU A 15 -2.467 17.884 -4.695 1.00 0.00 C ATOM 178 OE1 GLU A 15 -2.981 17.290 -5.665 1.00 0.00 O ATOM 179 OE2 GLU A 15 -2.458 19.127 -4.579 1.00 0.00 O ATOM 0 H GLU A 15 -0.251 14.933 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.850 15.433 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.713 16.189 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.145 17.393 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.062 17.652 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.314 16.202 -4.049 1.00 0.00 H new ATOM 186 N ASN A 16 -1.490 13.750 -3.216 1.00 0.00 N ATOM 187 CA ASN A 16 -1.528 12.483 -3.937 1.00 0.00 C ATOM 188 C ASN A 16 -0.612 11.454 -3.280 1.00 0.00 C ATOM 189 O ASN A 16 0.325 10.956 -3.902 1.00 0.00 O ATOM 190 CB ASN A 16 -1.116 12.691 -5.396 1.00 0.00 C ATOM 191 CG ASN A 16 -0.129 13.830 -5.561 1.00 0.00 C ATOM 192 OD1 ASN A 16 0.867 13.912 -4.843 1.00 0.00 O ATOM 193 ND2 ASN A 16 -0.403 14.717 -6.511 1.00 0.00 N ATOM 0 H ASN A 16 -0.680 14.332 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.550 12.106 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.674 11.772 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.003 12.893 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.224 15.506 -6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.241 14.609 -7.083 1.00 0.00 H new ATOM 200 N ARG A 17 -0.892 11.143 -2.019 1.00 0.00 N ATOM 201 CA ARG A 17 -0.093 10.174 -1.277 1.00 0.00 C ATOM 202 C ARG A 17 -0.970 9.048 -0.734 1.00 0.00 C ATOM 203 O ARG A 17 -1.962 9.295 -0.050 1.00 0.00 O ATOM 204 CB ARG A 17 0.640 10.863 -0.125 1.00 0.00 C ATOM 205 CG ARG A 17 1.646 9.966 0.579 1.00 0.00 C ATOM 206 CD ARG A 17 1.910 10.434 2.001 1.00 0.00 C ATOM 207 NE ARG A 17 1.197 9.623 2.985 1.00 0.00 N ATOM 208 CZ ARG A 17 1.348 9.759 4.298 1.00 0.00 C ATOM 209 NH1 ARG A 17 2.181 10.671 4.782 1.00 0.00 N ATOM 210 NH2 ARG A 17 0.665 8.983 5.129 1.00 0.00 N ATOM 0 H ARG A 17 -1.665 11.547 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 17 0.639 9.744 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.156 11.743 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.092 11.215 0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.273 8.942 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.581 9.956 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.980 10.392 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.607 11.476 2.102 1.00 0.00 H new ATOM 0 HE ARG A 17 0.548 8.913 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.707 11.270 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.295 10.773 5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.023 8.281 4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.782 9.088 6.137 1.00 0.00 H new ATOM 224 N VAL A 18 -0.595 7.811 -1.047 1.00 0.00 N ATOM 225 CA VAL A 18 -1.345 6.648 -0.592 1.00 0.00 C ATOM 226 C VAL A 18 -0.500 5.773 0.328 1.00 0.00 C ATOM 227 O VAL A 18 0.729 5.778 0.248 1.00 0.00 O ATOM 228 CB VAL A 18 -1.840 5.799 -1.778 1.00 0.00 C ATOM 229 CG1 VAL A 18 -3.063 6.436 -2.417 1.00 0.00 C ATOM 230 CG2 VAL A 18 -0.729 5.614 -2.800 1.00 0.00 C ATOM 0 H VAL A 18 0.224 7.590 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.206 7.024 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.126 4.816 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.398 5.822 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.862 6.511 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.808 7.432 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.096 5.012 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.410 6.588 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.116 5.109 -2.332 1.00 0.00 H new ATOM 240 N VAL A 19 -1.166 5.022 1.200 1.00 0.00 N ATOM 241 CA VAL A 19 -0.475 4.141 2.133 1.00 0.00 C ATOM 242 C VAL A 19 -0.604 2.682 1.709 1.00 0.00 C ATOM 243 O VAL A 19 -1.653 2.255 1.227 1.00 0.00 O ATOM 244 CB VAL A 19 -1.023 4.299 3.565 1.00 0.00 C ATOM 245 CG1 VAL A 19 -0.296 3.366 4.520 1.00 0.00 C ATOM 246 CG2 VAL A 19 -0.904 5.744 4.023 1.00 0.00 C ATOM 0 H VAL A 19 -2.183 5.007 1.279 1.00 0.00 H new ATOM 0 HA VAL A 19 0.576 4.428 2.121 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.079 4.028 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.696 3.491 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.438 2.334 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.768 3.603 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.295 5.838 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.144 6.045 4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.475 6.386 3.352 1.00 0.00 H new ATOM 256 N VAL A 20 0.470 1.921 1.894 1.00 0.00 N ATOM 257 CA VAL A 20 0.477 0.509 1.532 1.00 0.00 C ATOM 258 C VAL A 20 0.697 -0.371 2.758 1.00 0.00 C ATOM 259 O VAL A 20 1.482 -0.034 3.644 1.00 0.00 O ATOM 260 CB VAL A 20 1.568 0.202 0.490 1.00 0.00 C ATOM 261 CG1 VAL A 20 1.367 -1.186 -0.101 1.00 0.00 C ATOM 262 CG2 VAL A 20 1.573 1.260 -0.603 1.00 0.00 C ATOM 0 H VAL A 20 1.346 2.259 2.292 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.499 0.288 1.100 1.00 0.00 H new ATOM 0 HB VAL A 20 2.537 0.222 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.147 -1.385 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.418 -1.931 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.392 -1.238 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.350 1.027 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.603 1.274 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.769 2.237 -0.162 1.00 0.00 H new ATOM 272 N SER A 21 0.001 -1.502 2.801 1.00 0.00 N ATOM 273 CA SER A 21 0.118 -2.431 3.919 1.00 0.00 C ATOM 274 C SER A 21 -0.011 -3.874 3.443 1.00 0.00 C ATOM 275 O SER A 21 -0.699 -4.157 2.463 1.00 0.00 O ATOM 276 CB SER A 21 -0.950 -2.131 4.972 1.00 0.00 C ATOM 277 OG SER A 21 -2.250 -2.172 4.407 1.00 0.00 O ATOM 0 H SER A 21 -0.651 -1.798 2.074 1.00 0.00 H new ATOM 0 HA SER A 21 1.104 -2.302 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.879 -2.856 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.770 -1.148 5.407 1.00 0.00 H new ATOM 0 HG SER A 21 -2.914 -1.979 5.101 1.00 0.00 H new ATOM 283 N GLY A 22 0.656 -4.785 4.146 1.00 0.00 N ATOM 284 CA GLY A 22 0.602 -6.188 3.781 1.00 0.00 C ATOM 285 C GLY A 22 1.698 -6.576 2.808 1.00 0.00 C ATOM 286 O GLY A 22 1.538 -7.510 2.020 1.00 0.00 O ATOM 0 H GLY A 22 1.232 -4.576 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.686 -6.798 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.369 -6.408 3.337 1.00 0.00 H new ATOM 290 N LEU A 23 2.814 -5.857 2.859 1.00 0.00 N ATOM 291 CA LEU A 23 3.941 -6.129 1.973 1.00 0.00 C ATOM 292 C LEU A 23 4.723 -7.350 2.447 1.00 0.00 C ATOM 293 O LEU A 23 4.806 -7.640 3.640 1.00 0.00 O ATOM 294 CB LEU A 23 4.865 -4.913 1.903 1.00 0.00 C ATOM 295 CG LEU A 23 4.464 -3.821 0.911 1.00 0.00 C ATOM 296 CD1 LEU A 23 4.770 -2.444 1.481 1.00 0.00 C ATOM 297 CD2 LEU A 23 5.176 -4.019 -0.419 1.00 0.00 C ATOM 0 H LEU A 23 2.963 -5.081 3.504 1.00 0.00 H new ATOM 0 HA LEU A 23 3.548 -6.336 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.924 -4.469 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.867 -5.258 1.648 1.00 0.00 H new ATOM 0 HG LEU A 23 3.390 -3.891 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.478 -1.679 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.214 -2.302 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.838 -2.363 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.878 -3.232 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.254 -3.977 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.907 -4.990 -0.835 1.00 0.00 H new ATOM 309 N PRO A 24 5.313 -8.084 1.491 1.00 0.00 N ATOM 310 CA PRO A 24 6.101 -9.283 1.787 1.00 0.00 C ATOM 311 C PRO A 24 7.418 -8.954 2.484 1.00 0.00 C ATOM 312 O PRO A 24 7.831 -7.798 2.568 1.00 0.00 O ATOM 313 CB PRO A 24 6.365 -9.884 0.404 1.00 0.00 C ATOM 314 CG PRO A 24 6.282 -8.730 -0.534 1.00 0.00 C ATOM 315 CD PRO A 24 5.256 -7.797 0.048 1.00 0.00 C ATOM 0 HA PRO A 24 5.579 -9.956 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.345 -10.360 0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.628 -10.648 0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.249 -8.236 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.990 -9.058 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.495 -6.755 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.263 -7.986 -0.360 1.00 0.00 H new ATOM 323 N PRO A 25 8.092 -9.994 2.996 1.00 0.00 N ATOM 324 CA PRO A 25 9.372 -9.841 3.694 1.00 0.00 C ATOM 325 C PRO A 25 10.503 -9.446 2.751 1.00 0.00 C ATOM 326 O PRO A 25 11.518 -8.897 3.179 1.00 0.00 O ATOM 327 CB PRO A 25 9.626 -11.232 4.280 1.00 0.00 C ATOM 328 CG PRO A 25 8.871 -12.161 3.392 1.00 0.00 C ATOM 329 CD PRO A 25 7.658 -11.400 2.932 1.00 0.00 C ATOM 0 HA PRO A 25 9.336 -9.049 4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.690 -11.470 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.276 -11.297 5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.481 -12.472 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.584 -13.066 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.365 -11.684 1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.799 -11.585 3.577 1.00 0.00 H new ATOM 337 N SER A 26 10.321 -9.727 1.465 1.00 0.00 N ATOM 338 CA SER A 26 11.328 -9.404 0.461 1.00 0.00 C ATOM 339 C SER A 26 10.816 -8.331 -0.495 1.00 0.00 C ATOM 340 O SER A 26 11.279 -8.224 -1.631 1.00 0.00 O ATOM 341 CB SER A 26 11.718 -10.658 -0.323 1.00 0.00 C ATOM 342 OG SER A 26 12.944 -11.192 0.147 1.00 0.00 O ATOM 0 H SER A 26 9.485 -10.178 1.093 1.00 0.00 H new ATOM 0 HA SER A 26 12.208 -9.018 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.932 -11.408 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.805 -10.416 -1.382 1.00 0.00 H new ATOM 0 HG SER A 26 12.888 -12.170 0.168 1.00 0.00 H new ATOM 348 N GLY A 27 9.858 -7.536 -0.027 1.00 0.00 N ATOM 349 CA GLY A 27 9.299 -6.482 -0.852 1.00 0.00 C ATOM 350 C GLY A 27 9.974 -5.145 -0.621 1.00 0.00 C ATOM 351 O GLY A 27 9.928 -4.602 0.482 1.00 0.00 O ATOM 0 H GLY A 27 9.459 -7.604 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.395 -6.757 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.233 -6.388 -0.643 1.00 0.00 H new ATOM 355 N SER A 28 10.603 -4.613 -1.664 1.00 0.00 N ATOM 356 CA SER A 28 11.296 -3.333 -1.567 1.00 0.00 C ATOM 357 C SER A 28 10.583 -2.267 -2.393 1.00 0.00 C ATOM 358 O SER A 28 9.774 -2.579 -3.266 1.00 0.00 O ATOM 359 CB SER A 28 12.744 -3.476 -2.040 1.00 0.00 C ATOM 360 OG SER A 28 13.586 -2.541 -1.390 1.00 0.00 O ATOM 0 H SER A 28 10.647 -5.048 -2.586 1.00 0.00 H new ATOM 0 HA SER A 28 11.291 -3.023 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.097 -4.488 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.794 -3.327 -3.119 1.00 0.00 H new ATOM 0 HG SER A 28 14.506 -2.653 -1.708 1.00 0.00 H new ATOM 366 N TRP A 29 10.889 -1.005 -2.110 1.00 0.00 N ATOM 367 CA TRP A 29 10.278 0.108 -2.825 1.00 0.00 C ATOM 368 C TRP A 29 10.450 -0.051 -4.331 1.00 0.00 C ATOM 369 O TRP A 29 9.517 0.181 -5.099 1.00 0.00 O ATOM 370 CB TRP A 29 10.890 1.433 -2.366 1.00 0.00 C ATOM 371 CG TRP A 29 12.057 1.869 -3.202 1.00 0.00 C ATOM 372 CD1 TRP A 29 13.370 1.888 -2.828 1.00 0.00 C ATOM 373 CD2 TRP A 29 12.014 2.349 -4.549 1.00 0.00 C ATOM 374 NE1 TRP A 29 14.147 2.351 -3.863 1.00 0.00 N ATOM 375 CE2 TRP A 29 13.338 2.640 -4.931 1.00 0.00 C ATOM 376 CE3 TRP A 29 10.986 2.558 -5.473 1.00 0.00 C ATOM 377 CZ2 TRP A 29 13.659 3.131 -6.193 1.00 0.00 C ATOM 378 CZ3 TRP A 29 11.305 3.046 -6.726 1.00 0.00 C ATOM 379 CH2 TRP A 29 12.633 3.327 -7.077 1.00 0.00 C ATOM 0 H TRP A 29 11.557 -0.728 -1.390 1.00 0.00 H new ATOM 0 HA TRP A 29 9.212 0.110 -2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.124 2.208 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 29 11.211 1.337 -1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.743 1.584 -1.861 1.00 0.00 H new ATOM 0 HE1 TRP A 29 15.161 2.462 -3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.960 2.342 -5.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.681 3.349 -6.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.518 3.214 -7.447 1.00 0.00 H new ATOM 0 HH2 TRP A 29 12.851 3.706 -8.065 1.00 0.00 H new ATOM 390 N GLN A 30 11.648 -0.449 -4.746 1.00 0.00 N ATOM 391 CA GLN A 30 11.941 -0.640 -6.162 1.00 0.00 C ATOM 392 C GLN A 30 10.897 -1.537 -6.818 1.00 0.00 C ATOM 393 O GLN A 30 10.498 -1.309 -7.960 1.00 0.00 O ATOM 394 CB GLN A 30 13.335 -1.245 -6.339 1.00 0.00 C ATOM 395 CG GLN A 30 14.392 -0.230 -6.744 1.00 0.00 C ATOM 396 CD GLN A 30 15.740 -0.505 -6.106 1.00 0.00 C ATOM 397 OE1 GLN A 30 16.539 -1.282 -6.629 1.00 0.00 O ATOM 398 NE2 GLN A 30 15.999 0.133 -4.971 1.00 0.00 N ATOM 0 H GLN A 30 12.431 -0.645 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 30 11.912 0.335 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.637 -1.719 -5.405 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.288 -2.030 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.500 -0.236 -7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.058 0.769 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.307 0.768 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.890 -0.012 -4.496 1.00 0.00 H new ATOM 407 N ASP A 31 10.460 -2.559 -6.089 1.00 0.00 N ATOM 408 CA ASP A 31 9.461 -3.490 -6.600 1.00 0.00 C ATOM 409 C ASP A 31 8.055 -2.923 -6.436 1.00 0.00 C ATOM 410 O ASP A 31 7.234 -2.996 -7.351 1.00 0.00 O ATOM 411 CB ASP A 31 9.571 -4.834 -5.879 1.00 0.00 C ATOM 412 CG ASP A 31 10.559 -5.770 -6.545 1.00 0.00 C ATOM 413 OD1 ASP A 31 10.146 -6.516 -7.458 1.00 0.00 O ATOM 414 OD2 ASP A 31 11.746 -5.759 -6.153 1.00 0.00 O ATOM 0 H ASP A 31 10.782 -2.763 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 31 9.650 -3.640 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.875 -4.665 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.590 -5.308 -5.849 1.00 0.00 H new ATOM 419 N LEU A 32 7.782 -2.359 -5.264 1.00 0.00 N ATOM 420 CA LEU A 32 6.474 -1.781 -4.979 1.00 0.00 C ATOM 421 C LEU A 32 6.071 -0.787 -6.063 1.00 0.00 C ATOM 422 O LEU A 32 5.073 -0.980 -6.758 1.00 0.00 O ATOM 423 CB LEU A 32 6.488 -1.088 -3.615 1.00 0.00 C ATOM 424 CG LEU A 32 5.411 -0.026 -3.391 1.00 0.00 C ATOM 425 CD1 LEU A 32 4.028 -0.659 -3.395 1.00 0.00 C ATOM 426 CD2 LEU A 32 5.656 0.716 -2.085 1.00 0.00 C ATOM 0 H LEU A 32 8.450 -2.290 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 32 5.742 -2.589 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.386 -1.849 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.464 -0.622 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 32 5.462 0.693 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.274 0.112 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.852 -1.143 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.965 -1.400 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.880 1.468 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.634 0.009 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.631 1.203 -2.121 1.00 0.00 H new ATOM 438 N LYS A 33 6.854 0.279 -6.203 1.00 0.00 N ATOM 439 CA LYS A 33 6.581 1.302 -7.205 1.00 0.00 C ATOM 440 C LYS A 33 6.386 0.677 -8.583 1.00 0.00 C ATOM 441 O LYS A 33 5.501 1.080 -9.338 1.00 0.00 O ATOM 442 CB LYS A 33 7.725 2.317 -7.250 1.00 0.00 C ATOM 443 CG LYS A 33 7.794 3.098 -8.551 1.00 0.00 C ATOM 444 CD LYS A 33 8.872 2.552 -9.473 1.00 0.00 C ATOM 445 CE LYS A 33 9.623 3.672 -10.178 1.00 0.00 C ATOM 446 NZ LYS A 33 10.345 3.182 -11.384 1.00 0.00 N ATOM 0 H LYS A 33 7.682 0.456 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 33 5.660 1.813 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.612 3.016 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.670 1.794 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.828 3.055 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.995 4.148 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.574 1.949 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.419 1.894 -10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.921 4.454 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.335 4.123 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.844 3.975 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.033 2.454 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.663 2.774 -12.055 1.00 0.00 H new ATOM 460 N ASP A 34 7.216 -0.310 -8.903 1.00 0.00 N ATOM 461 CA ASP A 34 7.133 -0.992 -10.188 1.00 0.00 C ATOM 462 C ASP A 34 5.730 -1.544 -10.421 1.00 0.00 C ATOM 463 O ASP A 34 5.306 -1.731 -11.562 1.00 0.00 O ATOM 464 CB ASP A 34 8.158 -2.124 -10.256 1.00 0.00 C ATOM 465 CG ASP A 34 8.804 -2.241 -11.622 1.00 0.00 C ATOM 466 OD1 ASP A 34 8.090 -2.584 -12.588 1.00 0.00 O ATOM 467 OD2 ASP A 34 10.023 -1.989 -11.727 1.00 0.00 O ATOM 0 H ASP A 34 7.954 -0.655 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 34 7.353 -0.266 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.930 -1.956 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.671 -3.066 -10.006 1.00 0.00 H new ATOM 472 N HIS A 35 5.015 -1.805 -9.332 1.00 0.00 N ATOM 473 CA HIS A 35 3.659 -2.336 -9.417 1.00 0.00 C ATOM 474 C HIS A 35 2.634 -1.207 -9.462 1.00 0.00 C ATOM 475 O HIS A 35 1.679 -1.253 -10.238 1.00 0.00 O ATOM 476 CB HIS A 35 3.373 -3.254 -8.228 1.00 0.00 C ATOM 477 CG HIS A 35 2.006 -3.867 -8.261 1.00 0.00 C ATOM 478 ND1 HIS A 35 0.783 -3.312 -8.094 1.00 0.00 N flip ATOM 479 CD2 HIS A 35 1.788 -5.210 -8.483 1.00 0.00 C flip ATOM 480 CE1 HIS A 35 -0.142 -4.319 -8.219 1.00 0.00 C flip ATOM 481 NE2 HIS A 35 0.491 -5.454 -8.455 1.00 0.00 N flip ATOM 0 H HIS A 35 5.351 -1.658 -8.380 1.00 0.00 H new ATOM 0 HA HIS A 35 3.578 -2.912 -10.339 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.118 -4.049 -8.205 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.485 -2.685 -7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.558 -5.948 -8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.213 -4.202 -8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.052 -6.364 -8.592 1.00 0.00 H new ATOM 489 N MET A 36 2.839 -0.195 -8.626 1.00 0.00 N ATOM 490 CA MET A 36 1.933 0.946 -8.571 1.00 0.00 C ATOM 491 C MET A 36 1.940 1.711 -9.892 1.00 0.00 C ATOM 492 O MET A 36 1.119 2.602 -10.109 1.00 0.00 O ATOM 493 CB MET A 36 2.324 1.882 -7.426 1.00 0.00 C ATOM 494 CG MET A 36 2.592 1.159 -6.116 1.00 0.00 C ATOM 495 SD MET A 36 1.298 -0.026 -5.699 1.00 0.00 S ATOM 496 CE MET A 36 -0.085 1.074 -5.408 1.00 0.00 C ATOM 0 H MET A 36 3.624 -0.142 -7.977 1.00 0.00 H new ATOM 0 HA MET A 36 0.926 0.568 -8.394 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.215 2.441 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 36 1.527 2.610 -7.274 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.548 0.639 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.681 1.891 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.985 0.653 -5.857 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.236 1.193 -4.335 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.123 2.046 -5.855 1.00 0.00 H new ATOM 506 N ARG A 37 2.872 1.355 -10.771 1.00 0.00 N ATOM 507 CA ARG A 37 2.987 2.009 -12.068 1.00 0.00 C ATOM 508 C ARG A 37 1.700 1.849 -12.873 1.00 0.00 C ATOM 509 O ARG A 37 1.279 2.767 -13.576 1.00 0.00 O ATOM 510 CB ARG A 37 4.166 1.431 -12.853 1.00 0.00 C ATOM 511 CG ARG A 37 5.517 1.712 -12.216 1.00 0.00 C ATOM 512 CD ARG A 37 6.571 2.032 -13.264 1.00 0.00 C ATOM 513 NE ARG A 37 7.258 0.833 -13.736 1.00 0.00 N ATOM 514 CZ ARG A 37 8.394 0.859 -14.424 1.00 0.00 C ATOM 515 NH1 ARG A 37 8.967 2.016 -14.719 1.00 0.00 N ATOM 516 NH2 ARG A 37 8.958 -0.276 -14.817 1.00 0.00 N ATOM 0 H ARG A 37 3.558 0.618 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 37 3.160 3.071 -11.896 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.035 0.353 -12.947 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.157 1.843 -13.862 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.427 2.548 -11.522 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.833 0.847 -11.633 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.101 2.536 -14.108 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.300 2.726 -12.845 1.00 0.00 H new ATOM 0 HE ARG A 37 6.843 -0.075 -13.526 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.536 2.890 -14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.839 2.033 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.519 -1.169 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.830 -0.256 -15.345 1.00 0.00 H new ATOM 530 N GLU A 38 1.081 0.678 -12.763 1.00 0.00 N ATOM 531 CA GLU A 38 -0.156 0.398 -13.482 1.00 0.00 C ATOM 532 C GLU A 38 -1.093 1.603 -13.441 1.00 0.00 C ATOM 533 O GLU A 38 -1.827 1.864 -14.394 1.00 0.00 O ATOM 534 CB GLU A 38 -0.854 -0.824 -12.883 1.00 0.00 C ATOM 535 CG GLU A 38 -1.289 -1.845 -13.921 1.00 0.00 C ATOM 536 CD GLU A 38 -2.665 -1.552 -14.489 1.00 0.00 C ATOM 537 OE1 GLU A 38 -3.580 -1.246 -13.697 1.00 0.00 O ATOM 538 OE2 GLU A 38 -2.825 -1.630 -15.724 1.00 0.00 O ATOM 0 H GLU A 38 1.416 -0.092 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 38 0.097 0.190 -14.522 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.181 -1.304 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.728 -0.494 -12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.562 -1.864 -14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.290 -2.837 -13.470 1.00 0.00 H new ATOM 545 N ALA A 39 -1.062 2.332 -12.331 1.00 0.00 N ATOM 546 CA ALA A 39 -1.906 3.509 -12.165 1.00 0.00 C ATOM 547 C ALA A 39 -1.455 4.641 -13.082 1.00 0.00 C ATOM 548 O ALA A 39 -2.276 5.319 -13.698 1.00 0.00 O ATOM 549 CB ALA A 39 -1.895 3.966 -10.715 1.00 0.00 C ATOM 0 H ALA A 39 -0.461 2.128 -11.532 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.925 3.237 -12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.529 4.846 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.272 3.166 -10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.876 4.215 -10.420 1.00 0.00 H new ATOM 555 N GLY A 40 -0.142 4.841 -13.168 1.00 0.00 N ATOM 556 CA GLY A 40 0.394 5.892 -14.010 1.00 0.00 C ATOM 557 C GLY A 40 1.873 6.127 -13.773 1.00 0.00 C ATOM 558 O GLY A 40 2.708 5.313 -14.166 1.00 0.00 O ATOM 0 H GLY A 40 0.558 4.293 -12.669 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.234 5.632 -15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.152 6.817 -13.824 1.00 0.00 H new ATOM 562 N ASP A 41 2.197 7.244 -13.131 1.00 0.00 N ATOM 563 CA ASP A 41 3.585 7.585 -12.843 1.00 0.00 C ATOM 564 C ASP A 41 3.796 7.787 -11.345 1.00 0.00 C ATOM 565 O ASP A 41 2.934 8.333 -10.655 1.00 0.00 O ATOM 566 CB ASP A 41 3.991 8.849 -13.603 1.00 0.00 C ATOM 567 CG ASP A 41 4.511 8.548 -14.994 1.00 0.00 C ATOM 568 OD1 ASP A 41 3.706 8.124 -15.849 1.00 0.00 O ATOM 569 OD2 ASP A 41 5.724 8.734 -15.228 1.00 0.00 O ATOM 0 H ASP A 41 1.517 7.929 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 41 4.212 6.756 -13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.132 9.517 -13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.759 9.378 -13.038 1.00 0.00 H new ATOM 574 N VAL A 42 4.946 7.341 -10.849 1.00 0.00 N ATOM 575 CA VAL A 42 5.270 7.473 -9.434 1.00 0.00 C ATOM 576 C VAL A 42 6.267 8.602 -9.200 1.00 0.00 C ATOM 577 O VAL A 42 7.268 8.716 -9.908 1.00 0.00 O ATOM 578 CB VAL A 42 5.851 6.164 -8.867 1.00 0.00 C ATOM 579 CG1 VAL A 42 6.290 6.355 -7.424 1.00 0.00 C ATOM 580 CG2 VAL A 42 4.836 5.037 -8.980 1.00 0.00 C ATOM 0 H VAL A 42 5.668 6.885 -11.406 1.00 0.00 H new ATOM 0 HA VAL A 42 4.338 7.703 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 42 6.728 5.892 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.698 5.420 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.054 7.131 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.433 6.652 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.264 4.120 -8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.939 5.298 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.577 4.884 -10.028 1.00 0.00 H new ATOM 590 N CYS A 43 5.986 9.434 -8.204 1.00 0.00 N ATOM 591 CA CYS A 43 6.858 10.557 -7.877 1.00 0.00 C ATOM 592 C CYS A 43 7.698 10.250 -6.640 1.00 0.00 C ATOM 593 O CYS A 43 8.786 10.798 -6.466 1.00 0.00 O ATOM 594 CB CYS A 43 6.031 11.822 -7.646 1.00 0.00 C ATOM 595 SG CYS A 43 6.898 13.112 -6.723 1.00 0.00 S ATOM 0 H CYS A 43 5.162 9.353 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 43 7.530 10.721 -8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.725 12.224 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.121 11.555 -7.109 1.00 0.00 H new ATOM 0 HG CYS A 43 8.027 12.644 -6.279 1.00 0.00 H new ATOM 601 N TYR A 44 7.182 9.374 -5.785 1.00 0.00 N ATOM 602 CA TYR A 44 7.882 8.998 -4.562 1.00 0.00 C ATOM 603 C TYR A 44 7.522 7.576 -4.143 1.00 0.00 C ATOM 604 O TYR A 44 6.377 7.148 -4.284 1.00 0.00 O ATOM 605 CB TYR A 44 7.544 9.975 -3.435 1.00 0.00 C ATOM 606 CG TYR A 44 7.951 9.483 -2.065 1.00 0.00 C ATOM 607 CD1 TYR A 44 9.256 9.085 -1.807 1.00 0.00 C ATOM 608 CD2 TYR A 44 7.028 9.415 -1.027 1.00 0.00 C ATOM 609 CE1 TYR A 44 9.633 8.633 -0.556 1.00 0.00 C ATOM 610 CE2 TYR A 44 7.395 8.966 0.227 1.00 0.00 C ATOM 611 CZ TYR A 44 8.699 8.576 0.457 1.00 0.00 C ATOM 612 OH TYR A 44 9.068 8.128 1.705 1.00 0.00 O ATOM 0 H TYR A 44 6.282 8.911 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 44 8.953 9.039 -4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.037 10.927 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.471 10.165 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.990 9.129 -2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.007 9.718 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.652 8.327 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.666 8.920 1.023 1.00 0.00 H new ATOM 0 HH TYR A 44 9.975 7.759 1.665 1.00 0.00 H new ATOM 622 N ALA A 45 8.508 6.851 -3.627 1.00 0.00 N ATOM 623 CA ALA A 45 8.295 5.478 -3.184 1.00 0.00 C ATOM 624 C ALA A 45 9.210 5.130 -2.015 1.00 0.00 C ATOM 625 O ALA A 45 10.377 5.523 -1.989 1.00 0.00 O ATOM 626 CB ALA A 45 8.519 4.511 -4.338 1.00 0.00 C ATOM 0 H ALA A 45 9.462 7.191 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 45 7.264 5.388 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.357 3.490 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.820 4.738 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.541 4.612 -4.705 1.00 0.00 H new ATOM 632 N ASP A 46 8.674 4.392 -1.050 1.00 0.00 N ATOM 633 CA ASP A 46 9.442 3.991 0.123 1.00 0.00 C ATOM 634 C ASP A 46 8.708 2.912 0.911 1.00 0.00 C ATOM 635 O ASP A 46 7.483 2.938 1.027 1.00 0.00 O ATOM 636 CB ASP A 46 9.714 5.200 1.020 1.00 0.00 C ATOM 637 CG ASP A 46 11.181 5.585 1.045 1.00 0.00 C ATOM 638 OD1 ASP A 46 12.031 4.698 0.820 1.00 0.00 O ATOM 639 OD2 ASP A 46 11.477 6.773 1.288 1.00 0.00 O ATOM 0 H ASP A 46 7.710 4.059 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 46 10.393 3.582 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.125 6.048 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.382 4.978 2.034 1.00 0.00 H new ATOM 644 N VAL A 47 9.465 1.963 1.452 1.00 0.00 N ATOM 645 CA VAL A 47 8.886 0.873 2.230 1.00 0.00 C ATOM 646 C VAL A 47 9.544 0.767 3.601 1.00 0.00 C ATOM 647 O VAL A 47 10.751 0.967 3.739 1.00 0.00 O ATOM 648 CB VAL A 47 9.025 -0.475 1.499 1.00 0.00 C ATOM 649 CG1 VAL A 47 8.178 -0.488 0.236 1.00 0.00 C ATOM 650 CG2 VAL A 47 10.485 -0.756 1.175 1.00 0.00 C ATOM 0 H VAL A 47 10.481 1.926 1.366 1.00 0.00 H new ATOM 0 HA VAL A 47 7.827 1.101 2.355 1.00 0.00 H new ATOM 0 HB VAL A 47 8.664 -1.265 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.289 -1.449 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.131 -0.335 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.506 0.310 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.566 -1.712 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 10.875 0.036 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.062 -0.793 2.099 1.00 0.00 H new ATOM 660 N TYR A 48 8.744 0.449 4.612 1.00 0.00 N ATOM 661 CA TYR A 48 9.249 0.316 5.974 1.00 0.00 C ATOM 662 C TYR A 48 9.425 -1.152 6.349 1.00 0.00 C ATOM 663 O TYR A 48 8.834 -2.038 5.731 1.00 0.00 O ATOM 664 CB TYR A 48 8.298 0.996 6.960 1.00 0.00 C ATOM 665 CG TYR A 48 7.898 2.396 6.550 1.00 0.00 C ATOM 666 CD1 TYR A 48 6.983 2.605 5.525 1.00 0.00 C ATOM 667 CD2 TYR A 48 8.436 3.507 7.186 1.00 0.00 C ATOM 668 CE1 TYR A 48 6.616 3.882 5.147 1.00 0.00 C ATOM 669 CE2 TYR A 48 8.073 4.787 6.815 1.00 0.00 C ATOM 670 CZ TYR A 48 7.162 4.969 5.795 1.00 0.00 C ATOM 671 OH TYR A 48 6.800 6.243 5.421 1.00 0.00 O ATOM 0 H TYR A 48 7.743 0.278 4.515 1.00 0.00 H new ATOM 0 HA TYR A 48 10.223 0.803 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.400 0.387 7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.772 1.035 7.941 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.552 1.756 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.150 3.368 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.905 4.028 4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.500 5.641 7.321 1.00 0.00 H new ATOM 0 HH TYR A 48 7.275 6.895 5.978 1.00 0.00 H new ATOM 681 N ARG A 49 10.242 -1.401 7.368 1.00 0.00 N ATOM 682 CA ARG A 49 10.498 -2.761 7.826 1.00 0.00 C ATOM 683 C ARG A 49 9.336 -3.277 8.672 1.00 0.00 C ATOM 684 O ARG A 49 9.533 -3.758 9.788 1.00 0.00 O ATOM 685 CB ARG A 49 11.794 -2.813 8.636 1.00 0.00 C ATOM 686 CG ARG A 49 13.025 -3.118 7.796 1.00 0.00 C ATOM 687 CD ARG A 49 13.482 -4.557 7.979 1.00 0.00 C ATOM 688 NE ARG A 49 14.525 -4.924 7.026 1.00 0.00 N ATOM 689 CZ ARG A 49 15.785 -4.517 7.122 1.00 0.00 C ATOM 690 NH1 ARG A 49 16.157 -3.732 8.124 1.00 0.00 N ATOM 691 NH2 ARG A 49 16.677 -4.894 6.214 1.00 0.00 N ATOM 0 H ARG A 49 10.737 -0.679 7.891 1.00 0.00 H new ATOM 0 HA ARG A 49 10.599 -3.400 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.936 -1.857 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.697 -3.572 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.803 -2.937 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.833 -2.441 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.854 -4.693 8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.630 -5.226 7.860 1.00 0.00 H new ATOM 0 HE ARG A 49 14.272 -5.527 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.474 -3.440 8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.126 -3.421 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.395 -5.497 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.645 -4.581 6.289 1.00 0.00 H new ATOM 705 N ASP A 50 8.127 -3.174 8.132 1.00 0.00 N ATOM 706 CA ASP A 50 6.935 -3.630 8.836 1.00 0.00 C ATOM 707 C ASP A 50 5.838 -4.022 7.850 1.00 0.00 C ATOM 708 O ASP A 50 4.654 -4.001 8.184 1.00 0.00 O ATOM 709 CB ASP A 50 6.424 -2.540 9.780 1.00 0.00 C ATOM 710 CG ASP A 50 5.795 -3.109 11.037 1.00 0.00 C ATOM 711 OD1 ASP A 50 6.550 -3.541 11.933 1.00 0.00 O ATOM 712 OD2 ASP A 50 4.550 -3.123 11.123 1.00 0.00 O ATOM 0 H ASP A 50 7.947 -2.779 7.209 1.00 0.00 H new ATOM 0 HA ASP A 50 7.204 -4.509 9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.251 -1.885 10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.691 -1.925 9.257 1.00 0.00 H new ATOM 717 N GLY A 51 6.241 -4.377 6.635 1.00 0.00 N ATOM 718 CA GLY A 51 5.281 -4.766 5.618 1.00 0.00 C ATOM 719 C GLY A 51 4.411 -3.608 5.169 1.00 0.00 C ATOM 720 O GLY A 51 3.261 -3.803 4.775 1.00 0.00 O ATOM 0 H GLY A 51 7.216 -4.402 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.812 -5.172 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.647 -5.563 6.007 1.00 0.00 H new ATOM 724 N THR A 52 4.960 -2.400 5.229 1.00 0.00 N ATOM 725 CA THR A 52 4.225 -1.206 4.828 1.00 0.00 C ATOM 726 C THR A 52 5.045 -0.354 3.866 1.00 0.00 C ATOM 727 O THR A 52 6.254 -0.539 3.733 1.00 0.00 O ATOM 728 CB THR A 52 3.835 -0.350 6.048 1.00 0.00 C ATOM 729 OG1 THR A 52 5.005 -0.005 6.799 1.00 0.00 O ATOM 730 CG2 THR A 52 2.855 -1.096 6.941 1.00 0.00 C ATOM 0 H THR A 52 5.911 -2.222 5.551 1.00 0.00 H new ATOM 0 HA THR A 52 3.319 -1.546 4.327 1.00 0.00 H new ATOM 0 HB THR A 52 3.354 0.559 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.406 0.808 6.425 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.594 -0.472 7.796 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.954 -1.331 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.314 -2.020 7.293 1.00 0.00 H new ATOM 738 N GLY A 53 4.378 0.580 3.195 1.00 0.00 N ATOM 739 CA GLY A 53 5.062 1.448 2.253 1.00 0.00 C ATOM 740 C GLY A 53 4.181 2.580 1.763 1.00 0.00 C ATOM 741 O GLY A 53 2.972 2.410 1.600 1.00 0.00 O ATOM 0 H GLY A 53 3.377 0.751 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.952 1.863 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.400 0.859 1.400 1.00 0.00 H new ATOM 745 N VAL A 54 4.786 3.739 1.528 1.00 0.00 N ATOM 746 CA VAL A 54 4.049 4.905 1.053 1.00 0.00 C ATOM 747 C VAL A 54 4.407 5.231 -0.392 1.00 0.00 C ATOM 748 O VAL A 54 5.553 5.068 -0.811 1.00 0.00 O ATOM 749 CB VAL A 54 4.326 6.139 1.930 1.00 0.00 C ATOM 750 CG1 VAL A 54 3.828 5.911 3.349 1.00 0.00 C ATOM 751 CG2 VAL A 54 5.810 6.473 1.926 1.00 0.00 C ATOM 0 H VAL A 54 5.785 3.897 1.659 1.00 0.00 H new ATOM 0 HA VAL A 54 2.990 4.656 1.114 1.00 0.00 H new ATOM 0 HB VAL A 54 3.784 6.987 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.033 6.795 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.754 5.724 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.339 5.050 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.988 7.348 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.374 5.627 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.133 6.684 0.906 1.00 0.00 H new ATOM 761 N VAL A 55 3.418 5.692 -1.151 1.00 0.00 N ATOM 762 CA VAL A 55 3.629 6.043 -2.551 1.00 0.00 C ATOM 763 C VAL A 55 2.902 7.335 -2.909 1.00 0.00 C ATOM 764 O VAL A 55 1.800 7.593 -2.425 1.00 0.00 O ATOM 765 CB VAL A 55 3.149 4.920 -3.489 1.00 0.00 C ATOM 766 CG1 VAL A 55 3.426 5.282 -4.940 1.00 0.00 C ATOM 767 CG2 VAL A 55 3.812 3.601 -3.124 1.00 0.00 C ATOM 0 H VAL A 55 2.463 5.831 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 55 4.702 6.184 -2.684 1.00 0.00 H new ATOM 0 HB VAL A 55 2.072 4.804 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.080 4.477 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.900 6.202 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.497 5.426 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.461 2.819 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.894 3.700 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.557 3.337 -2.097 1.00 0.00 H new ATOM 777 N GLU A 56 3.527 8.142 -3.759 1.00 0.00 N ATOM 778 CA GLU A 56 2.940 9.408 -4.182 1.00 0.00 C ATOM 779 C GLU A 56 2.826 9.475 -5.702 1.00 0.00 C ATOM 780 O GLU A 56 3.831 9.464 -6.412 1.00 0.00 O ATOM 781 CB GLU A 56 3.778 10.582 -3.670 1.00 0.00 C ATOM 782 CG GLU A 56 2.947 11.740 -3.144 1.00 0.00 C ATOM 783 CD GLU A 56 3.732 12.647 -2.216 1.00 0.00 C ATOM 784 OE1 GLU A 56 4.900 12.321 -1.914 1.00 0.00 O ATOM 785 OE2 GLU A 56 3.179 13.683 -1.792 1.00 0.00 O ATOM 0 H GLU A 56 4.440 7.942 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 56 1.938 9.474 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.436 10.229 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.416 10.941 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.571 12.324 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.079 11.348 -2.614 1.00 0.00 H new ATOM 792 N PHE A 57 1.593 9.544 -6.194 1.00 0.00 N ATOM 793 CA PHE A 57 1.347 9.611 -7.630 1.00 0.00 C ATOM 794 C PHE A 57 1.400 11.054 -8.125 1.00 0.00 C ATOM 795 O PHE A 57 0.551 11.874 -7.776 1.00 0.00 O ATOM 796 CB PHE A 57 -0.014 8.996 -7.965 1.00 0.00 C ATOM 797 CG PHE A 57 -0.056 7.504 -7.788 1.00 0.00 C ATOM 798 CD1 PHE A 57 0.540 6.667 -8.717 1.00 0.00 C ATOM 799 CD2 PHE A 57 -0.693 6.940 -6.694 1.00 0.00 C ATOM 800 CE1 PHE A 57 0.501 5.294 -8.558 1.00 0.00 C ATOM 801 CE2 PHE A 57 -0.735 5.569 -6.530 1.00 0.00 C ATOM 802 CZ PHE A 57 -0.136 4.745 -7.462 1.00 0.00 C ATOM 0 H PHE A 57 0.750 9.555 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 57 2.129 9.043 -8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.776 9.451 -7.332 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.270 9.239 -8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.041 7.091 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.162 7.580 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.968 4.652 -9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.236 5.142 -5.674 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.165 3.673 -7.334 1.00 0.00 H new ATOM 812 N VAL A 58 2.406 11.357 -8.939 1.00 0.00 N ATOM 813 CA VAL A 58 2.571 12.700 -9.483 1.00 0.00 C ATOM 814 C VAL A 58 1.233 13.285 -9.921 1.00 0.00 C ATOM 815 O VAL A 58 1.019 14.494 -9.848 1.00 0.00 O ATOM 816 CB VAL A 58 3.538 12.704 -10.682 1.00 0.00 C ATOM 817 CG1 VAL A 58 3.303 11.486 -11.562 1.00 0.00 C ATOM 818 CG2 VAL A 58 3.386 13.989 -11.483 1.00 0.00 C ATOM 0 H VAL A 58 3.119 10.691 -9.236 1.00 0.00 H new ATOM 0 HA VAL A 58 2.989 13.315 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 58 4.559 12.657 -10.304 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.995 11.506 -12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.466 10.579 -10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.279 11.498 -11.934 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.076 13.976 -12.326 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.364 14.069 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.609 14.844 -10.845 1.00 0.00 H new ATOM 828 N ARG A 59 0.334 12.416 -10.374 1.00 0.00 N ATOM 829 CA ARG A 59 -0.984 12.846 -10.824 1.00 0.00 C ATOM 830 C ARG A 59 -2.084 12.154 -10.024 1.00 0.00 C ATOM 831 O ARG A 59 -2.302 10.951 -10.162 1.00 0.00 O ATOM 832 CB ARG A 59 -1.159 12.551 -12.315 1.00 0.00 C ATOM 833 CG ARG A 59 -0.213 13.339 -13.207 1.00 0.00 C ATOM 834 CD ARG A 59 -0.976 14.228 -14.178 1.00 0.00 C ATOM 835 NE ARG A 59 -1.864 13.456 -15.043 1.00 0.00 N ATOM 836 CZ ARG A 59 -1.456 12.815 -16.132 1.00 0.00 C ATOM 837 NH1 ARG A 59 -0.179 12.851 -16.487 1.00 0.00 N ATOM 838 NH2 ARG A 59 -2.326 12.135 -16.868 1.00 0.00 N ATOM 0 H ARG A 59 0.495 11.411 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.063 13.921 -10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.004 11.486 -12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.186 12.774 -12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.445 13.952 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.422 12.650 -13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.560 14.959 -13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.269 14.787 -14.791 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.853 13.406 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.493 13.372 -15.923 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.132 12.358 -17.324 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.309 12.104 -16.597 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.012 11.643 -17.704 1.00 0.00 H new ATOM 852 N LYS A 60 -2.775 12.923 -9.189 1.00 0.00 N ATOM 853 CA LYS A 60 -3.853 12.385 -8.369 1.00 0.00 C ATOM 854 C LYS A 60 -4.636 11.319 -9.128 1.00 0.00 C ATOM 855 O LYS A 60 -4.965 10.269 -8.578 1.00 0.00 O ATOM 856 CB LYS A 60 -4.795 13.508 -7.928 1.00 0.00 C ATOM 857 CG LYS A 60 -5.822 13.072 -6.899 1.00 0.00 C ATOM 858 CD LYS A 60 -5.459 13.560 -5.507 1.00 0.00 C ATOM 859 CE LYS A 60 -6.693 13.976 -4.722 1.00 0.00 C ATOM 860 NZ LYS A 60 -6.463 15.227 -3.947 1.00 0.00 N ATOM 0 H LYS A 60 -2.607 13.921 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.409 11.924 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.204 14.325 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.314 13.900 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.803 13.458 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.897 11.985 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.934 12.771 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.774 14.404 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.527 14.122 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.977 13.174 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.328 15.477 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.684 15.080 -3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.217 15.999 -4.599 1.00 0.00 H new ATOM 874 N GLU A 61 -4.928 11.596 -10.395 1.00 0.00 N ATOM 875 CA GLU A 61 -5.672 10.659 -11.229 1.00 0.00 C ATOM 876 C GLU A 61 -5.207 9.227 -10.985 1.00 0.00 C ATOM 877 O GLU A 61 -5.992 8.367 -10.584 1.00 0.00 O ATOM 878 CB GLU A 61 -5.506 11.015 -12.707 1.00 0.00 C ATOM 879 CG GLU A 61 -6.376 12.180 -13.154 1.00 0.00 C ATOM 880 CD GLU A 61 -6.011 13.478 -12.462 1.00 0.00 C ATOM 881 OE1 GLU A 61 -4.803 13.720 -12.252 1.00 0.00 O ATOM 882 OE2 GLU A 61 -6.931 14.254 -12.131 1.00 0.00 O ATOM 0 H GLU A 61 -4.661 12.461 -10.866 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.726 10.732 -10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.461 11.258 -12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.745 10.140 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.280 12.308 -14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.421 11.946 -12.952 1.00 0.00 H new ATOM 889 N ASP A 62 -3.926 8.976 -11.230 1.00 0.00 N ATOM 890 CA ASP A 62 -3.354 7.649 -11.037 1.00 0.00 C ATOM 891 C ASP A 62 -3.563 7.170 -9.604 1.00 0.00 C ATOM 892 O ASP A 62 -3.686 5.973 -9.350 1.00 0.00 O ATOM 893 CB ASP A 62 -1.862 7.658 -11.373 1.00 0.00 C ATOM 894 CG ASP A 62 -1.528 8.617 -12.499 1.00 0.00 C ATOM 895 OD1 ASP A 62 -2.451 8.990 -13.254 1.00 0.00 O ATOM 896 OD2 ASP A 62 -0.344 8.995 -12.624 1.00 0.00 O ATOM 0 H ASP A 62 -3.263 9.676 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.865 6.960 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.294 7.934 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.549 6.652 -11.652 1.00 0.00 H new ATOM 901 N MET A 63 -3.600 8.116 -8.670 1.00 0.00 N ATOM 902 CA MET A 63 -3.794 7.790 -7.261 1.00 0.00 C ATOM 903 C MET A 63 -5.191 7.227 -7.021 1.00 0.00 C ATOM 904 O MET A 63 -5.345 6.109 -6.530 1.00 0.00 O ATOM 905 CB MET A 63 -3.575 9.032 -6.395 1.00 0.00 C ATOM 906 CG MET A 63 -3.441 8.722 -4.913 1.00 0.00 C ATOM 907 SD MET A 63 -4.125 10.021 -3.867 1.00 0.00 S ATOM 908 CE MET A 63 -5.863 9.912 -4.284 1.00 0.00 C ATOM 0 H MET A 63 -3.498 9.112 -8.863 1.00 0.00 H new ATOM 0 HA MET A 63 -3.064 7.030 -6.985 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.676 9.547 -6.733 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.409 9.718 -6.541 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.947 7.781 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.388 8.581 -4.669 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.450 10.453 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.029 10.350 -5.268 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.169 8.866 -4.296 1.00 0.00 H new ATOM 918 N THR A 64 -6.208 8.011 -7.368 1.00 0.00 N ATOM 919 CA THR A 64 -7.592 7.592 -7.188 1.00 0.00 C ATOM 920 C THR A 64 -7.869 6.281 -7.917 1.00 0.00 C ATOM 921 O THR A 64 -8.757 5.521 -7.530 1.00 0.00 O ATOM 922 CB THR A 64 -8.575 8.664 -7.693 1.00 0.00 C ATOM 923 OG1 THR A 64 -8.238 9.940 -7.134 1.00 0.00 O ATOM 924 CG2 THR A 64 -10.005 8.306 -7.324 1.00 0.00 C ATOM 0 H THR A 64 -6.098 8.940 -7.775 1.00 0.00 H new ATOM 0 HA THR A 64 -7.741 7.449 -6.118 1.00 0.00 H new ATOM 0 HB THR A 64 -8.499 8.711 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.867 10.617 -7.461 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.680 9.079 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.269 7.349 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.094 8.233 -6.240 1.00 0.00 H new ATOM 932 N TYR A 65 -7.104 6.024 -8.972 1.00 0.00 N ATOM 933 CA TYR A 65 -7.269 4.806 -9.756 1.00 0.00 C ATOM 934 C TYR A 65 -6.599 3.620 -9.069 1.00 0.00 C ATOM 935 O TYR A 65 -7.174 2.536 -8.977 1.00 0.00 O ATOM 936 CB TYR A 65 -6.684 4.993 -11.157 1.00 0.00 C ATOM 937 CG TYR A 65 -6.647 3.721 -11.974 1.00 0.00 C ATOM 938 CD1 TYR A 65 -7.726 3.350 -12.767 1.00 0.00 C ATOM 939 CD2 TYR A 65 -5.534 2.890 -11.950 1.00 0.00 C ATOM 940 CE1 TYR A 65 -7.698 2.188 -13.513 1.00 0.00 C ATOM 941 CE2 TYR A 65 -5.497 1.727 -12.695 1.00 0.00 C ATOM 942 CZ TYR A 65 -6.580 1.380 -13.475 1.00 0.00 C ATOM 943 OH TYR A 65 -6.547 0.222 -14.216 1.00 0.00 O ATOM 0 H TYR A 65 -6.364 6.643 -9.304 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.336 4.600 -9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.272 5.740 -11.690 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.672 5.388 -11.069 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.602 3.981 -12.801 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.684 3.157 -11.339 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.546 1.913 -14.123 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.624 1.092 -12.667 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.671 -0.206 -14.116 1.00 0.00 H new ATOM 953 N ALA A 66 -5.380 3.836 -8.584 1.00 0.00 N ATOM 954 CA ALA A 66 -4.633 2.788 -7.901 1.00 0.00 C ATOM 955 C ALA A 66 -5.433 2.212 -6.738 1.00 0.00 C ATOM 956 O ALA A 66 -5.483 0.996 -6.547 1.00 0.00 O ATOM 957 CB ALA A 66 -3.297 3.327 -7.411 1.00 0.00 C ATOM 0 H ALA A 66 -4.889 4.728 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.449 1.984 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.749 2.534 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.715 3.683 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.469 4.151 -6.718 1.00 0.00 H new ATOM 963 N VAL A 67 -6.057 3.092 -5.962 1.00 0.00 N ATOM 964 CA VAL A 67 -6.855 2.671 -4.817 1.00 0.00 C ATOM 965 C VAL A 67 -8.099 1.909 -5.263 1.00 0.00 C ATOM 966 O VAL A 67 -8.709 1.183 -4.480 1.00 0.00 O ATOM 967 CB VAL A 67 -7.285 3.875 -3.958 1.00 0.00 C ATOM 968 CG1 VAL A 67 -6.069 4.568 -3.363 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.112 4.849 -4.784 1.00 0.00 C ATOM 0 H VAL A 67 -6.025 4.101 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.225 2.014 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.904 3.512 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.393 5.416 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.520 3.865 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.422 4.920 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.408 5.694 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.519 5.208 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.003 4.344 -5.158 1.00 0.00 H new ATOM 979 N ARG A 68 -8.467 2.080 -6.529 1.00 0.00 N ATOM 980 CA ARG A 68 -9.639 1.409 -7.081 1.00 0.00 C ATOM 981 C ARG A 68 -9.267 0.038 -7.638 1.00 0.00 C ATOM 982 O ARG A 68 -9.834 -0.980 -7.240 1.00 0.00 O ATOM 983 CB ARG A 68 -10.271 2.265 -8.181 1.00 0.00 C ATOM 984 CG ARG A 68 -11.056 3.453 -7.652 1.00 0.00 C ATOM 985 CD ARG A 68 -11.694 4.246 -8.782 1.00 0.00 C ATOM 986 NE ARG A 68 -13.131 4.423 -8.583 1.00 0.00 N ATOM 987 CZ ARG A 68 -14.029 3.477 -8.833 1.00 0.00 C ATOM 988 NH1 ARG A 68 -13.642 2.293 -9.286 1.00 0.00 N ATOM 989 NH2 ARG A 68 -15.319 3.714 -8.626 1.00 0.00 N ATOM 0 H ARG A 68 -7.971 2.677 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.362 1.271 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.486 2.626 -8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.933 1.640 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.830 3.104 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.394 4.102 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.215 5.222 -8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.519 3.734 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.462 5.322 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.652 2.106 -9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.334 1.569 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.621 4.623 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.008 2.987 -8.818 1.00 0.00 H new ATOM 1003 N LYS A 69 -8.312 0.018 -8.561 1.00 0.00 N ATOM 1004 CA LYS A 69 -7.865 -1.227 -9.173 1.00 0.00 C ATOM 1005 C LYS A 69 -6.715 -1.840 -8.380 1.00 0.00 C ATOM 1006 O LYS A 69 -6.697 -3.045 -8.124 1.00 0.00 O ATOM 1007 CB LYS A 69 -7.426 -0.980 -10.619 1.00 0.00 C ATOM 1008 CG LYS A 69 -8.570 -0.615 -11.547 1.00 0.00 C ATOM 1009 CD LYS A 69 -8.784 -1.676 -12.613 1.00 0.00 C ATOM 1010 CE LYS A 69 -9.846 -1.252 -13.617 1.00 0.00 C ATOM 1011 NZ LYS A 69 -11.177 -1.838 -13.297 1.00 0.00 N ATOM 0 H LYS A 69 -7.832 0.851 -8.902 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.701 -1.926 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.687 -0.179 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.933 -1.875 -10.998 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.485 -0.491 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.362 0.343 -12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.845 -1.865 -13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.081 -2.613 -12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.921 -0.165 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.544 -1.561 -14.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.873 -1.526 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.112 -2.876 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.477 -1.522 -12.353 1.00 0.00 H new ATOM 1025 N LEU A 70 -5.758 -1.005 -7.992 1.00 0.00 N ATOM 1026 CA LEU A 70 -4.605 -1.465 -7.226 1.00 0.00 C ATOM 1027 C LEU A 70 -4.867 -1.351 -5.727 1.00 0.00 C ATOM 1028 O LEU A 70 -4.155 -0.641 -5.015 1.00 0.00 O ATOM 1029 CB LEU A 70 -3.363 -0.655 -7.601 1.00 0.00 C ATOM 1030 CG LEU A 70 -3.060 -0.544 -9.095 1.00 0.00 C ATOM 1031 CD1 LEU A 70 -1.905 0.415 -9.337 1.00 0.00 C ATOM 1032 CD2 LEU A 70 -2.748 -1.915 -9.679 1.00 0.00 C ATOM 0 H LEU A 70 -5.757 -0.005 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.434 -2.514 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.475 0.351 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.500 -1.102 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.944 -0.149 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.704 0.481 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.166 1.402 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.016 0.051 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.535 -1.817 -10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.880 -2.337 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.605 -2.573 -9.540 1.00 0.00 H new ATOM 1044 N ASP A 71 -5.889 -2.056 -5.255 1.00 0.00 N ATOM 1045 CA ASP A 71 -6.242 -2.037 -3.840 1.00 0.00 C ATOM 1046 C ASP A 71 -6.633 -3.430 -3.359 1.00 0.00 C ATOM 1047 O ASP A 71 -7.729 -3.912 -3.644 1.00 0.00 O ATOM 1048 CB ASP A 71 -7.391 -1.057 -3.593 1.00 0.00 C ATOM 1049 CG ASP A 71 -8.247 -1.457 -2.407 1.00 0.00 C ATOM 1050 OD1 ASP A 71 -7.783 -1.296 -1.260 1.00 0.00 O ATOM 1051 OD2 ASP A 71 -9.381 -1.933 -2.628 1.00 0.00 O ATOM 0 H ASP A 71 -6.488 -2.648 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.368 -1.710 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.984 -0.060 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.015 -1.000 -4.485 1.00 0.00 H new ATOM 1056 N ASN A 72 -5.728 -4.074 -2.628 1.00 0.00 N ATOM 1057 CA ASN A 72 -5.978 -5.413 -2.109 1.00 0.00 C ATOM 1058 C ASN A 72 -5.704 -6.470 -3.174 1.00 0.00 C ATOM 1059 O ASN A 72 -6.410 -7.475 -3.264 1.00 0.00 O ATOM 1060 CB ASN A 72 -7.422 -5.532 -1.617 1.00 0.00 C ATOM 1061 CG ASN A 72 -7.590 -6.620 -0.573 1.00 0.00 C ATOM 1062 OD1 ASN A 72 -6.718 -6.826 0.270 1.00 0.00 O ATOM 1063 ND2 ASN A 72 -8.716 -7.322 -0.628 1.00 0.00 N ATOM 0 H ASN A 72 -4.816 -3.690 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.301 -5.582 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.740 -4.578 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.075 -5.741 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.886 -8.068 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.411 -7.115 -1.345 1.00 0.00 H new ATOM 1070 N THR A 73 -4.675 -6.236 -3.981 1.00 0.00 N ATOM 1071 CA THR A 73 -4.307 -7.166 -5.041 1.00 0.00 C ATOM 1072 C THR A 73 -3.027 -7.917 -4.695 1.00 0.00 C ATOM 1073 O THR A 73 -2.279 -7.513 -3.804 1.00 0.00 O ATOM 1074 CB THR A 73 -4.114 -6.440 -6.385 1.00 0.00 C ATOM 1075 OG1 THR A 73 -2.859 -5.750 -6.393 1.00 0.00 O ATOM 1076 CG2 THR A 73 -5.243 -5.449 -6.632 1.00 0.00 C ATOM 0 H THR A 73 -4.081 -5.409 -3.921 1.00 0.00 H new ATOM 0 HA THR A 73 -5.128 -7.877 -5.135 1.00 0.00 H new ATOM 0 HB THR A 73 -4.125 -7.186 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.743 -5.292 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.085 -4.948 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.195 -5.980 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.259 -4.708 -5.832 1.00 0.00 H new ATOM 1084 N LYS A 74 -2.778 -9.013 -5.405 1.00 0.00 N ATOM 1085 CA LYS A 74 -1.586 -9.820 -5.174 1.00 0.00 C ATOM 1086 C LYS A 74 -0.350 -9.144 -5.757 1.00 0.00 C ATOM 1087 O LYS A 74 -0.233 -8.981 -6.972 1.00 0.00 O ATOM 1088 CB LYS A 74 -1.760 -11.210 -5.792 1.00 0.00 C ATOM 1089 CG LYS A 74 -0.617 -12.161 -5.478 1.00 0.00 C ATOM 1090 CD LYS A 74 -0.553 -13.304 -6.478 1.00 0.00 C ATOM 1091 CE LYS A 74 -0.766 -14.649 -5.802 1.00 0.00 C ATOM 1092 NZ LYS A 74 -0.132 -15.761 -6.564 1.00 0.00 N ATOM 0 H LYS A 74 -3.386 -9.362 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.449 -9.922 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.693 -11.645 -5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.851 -11.109 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.326 -11.614 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.742 -12.562 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.311 -13.158 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.415 -13.297 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.353 -14.618 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.835 -14.840 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.126 -16.527 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.802 -16.122 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.723 -15.411 -7.042 1.00 0.00 H new ATOM 1106 N PHE A 75 0.573 -8.755 -4.883 1.00 0.00 N ATOM 1107 CA PHE A 75 1.802 -8.096 -5.311 1.00 0.00 C ATOM 1108 C PHE A 75 2.985 -9.058 -5.247 1.00 0.00 C ATOM 1109 O PHE A 75 3.195 -9.733 -4.239 1.00 0.00 O ATOM 1110 CB PHE A 75 2.079 -6.869 -4.440 1.00 0.00 C ATOM 1111 CG PHE A 75 3.529 -6.481 -4.395 1.00 0.00 C ATOM 1112 CD1 PHE A 75 4.398 -7.100 -3.512 1.00 0.00 C ATOM 1113 CD2 PHE A 75 4.023 -5.497 -5.237 1.00 0.00 C ATOM 1114 CE1 PHE A 75 5.733 -6.744 -3.468 1.00 0.00 C ATOM 1115 CE2 PHE A 75 5.357 -5.137 -5.198 1.00 0.00 C ATOM 1116 CZ PHE A 75 6.213 -5.762 -4.314 1.00 0.00 C ATOM 0 H PHE A 75 0.493 -8.885 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 75 1.672 -7.776 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.497 -6.027 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.733 -7.068 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.029 -7.869 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.358 -5.006 -5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.400 -7.233 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.729 -4.368 -5.858 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.256 -5.484 -4.283 1.00 0.00 H new ATOM 1126 N ARG A 76 3.754 -9.114 -6.329 1.00 0.00 N ATOM 1127 CA ARG A 76 4.915 -9.994 -6.396 1.00 0.00 C ATOM 1128 C ARG A 76 6.211 -9.190 -6.339 1.00 0.00 C ATOM 1129 O ARG A 76 6.372 -8.202 -7.056 1.00 0.00 O ATOM 1130 CB ARG A 76 4.876 -10.828 -7.678 1.00 0.00 C ATOM 1131 CG ARG A 76 5.955 -11.896 -7.743 1.00 0.00 C ATOM 1132 CD ARG A 76 6.625 -11.930 -9.107 1.00 0.00 C ATOM 1133 NE ARG A 76 7.511 -10.788 -9.309 1.00 0.00 N ATOM 1134 CZ ARG A 76 8.272 -10.629 -10.387 1.00 0.00 C ATOM 1135 NH1 ARG A 76 8.255 -11.536 -11.354 1.00 0.00 N ATOM 1136 NH2 ARG A 76 9.053 -9.561 -10.499 1.00 0.00 N ATOM 0 H ARG A 76 3.595 -8.561 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 76 4.884 -10.662 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.899 -11.305 -7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.981 -10.164 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.703 -11.706 -6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.517 -12.871 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.195 -12.854 -9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.862 -11.939 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 76 7.548 -10.073 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.657 -12.358 -11.272 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.840 -11.412 -12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.070 -8.861 -9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.636 -9.440 -11.327 1.00 0.00 H new ATOM 1150 N SER A 77 7.130 -9.619 -5.480 1.00 0.00 N ATOM 1151 CA SER A 77 8.409 -8.937 -5.325 1.00 0.00 C ATOM 1152 C SER A 77 9.447 -9.503 -6.290 1.00 0.00 C ATOM 1153 O SER A 77 9.195 -10.489 -6.983 1.00 0.00 O ATOM 1154 CB SER A 77 8.911 -9.067 -3.886 1.00 0.00 C ATOM 1155 OG SER A 77 9.674 -10.248 -3.717 1.00 0.00 O ATOM 0 H SER A 77 7.012 -10.436 -4.881 1.00 0.00 H new ATOM 0 HA SER A 77 8.259 -7.882 -5.556 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.518 -8.199 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.063 -9.077 -3.201 1.00 0.00 H new ATOM 0 HG SER A 77 9.985 -10.307 -2.789 1.00 0.00 H new ATOM 1161 N HIS A 78 10.616 -8.871 -6.330 1.00 0.00 N ATOM 1162 CA HIS A 78 11.693 -9.311 -7.209 1.00 0.00 C ATOM 1163 C HIS A 78 12.092 -10.751 -6.901 1.00 0.00 C ATOM 1164 O HIS A 78 12.457 -11.509 -7.799 1.00 0.00 O ATOM 1165 CB HIS A 78 12.906 -8.392 -7.064 1.00 0.00 C ATOM 1166 CG HIS A 78 13.408 -8.281 -5.656 1.00 0.00 C ATOM 1167 ND1 HIS A 78 12.797 -7.499 -4.699 1.00 0.00 N ATOM 1168 CD2 HIS A 78 14.470 -8.859 -5.048 1.00 0.00 C ATOM 1169 CE1 HIS A 78 13.461 -7.601 -3.561 1.00 0.00 C ATOM 1170 NE2 HIS A 78 14.480 -8.420 -3.746 1.00 0.00 N ATOM 0 H HIS A 78 10.841 -8.053 -5.764 1.00 0.00 H new ATOM 0 HA HIS A 78 11.332 -9.264 -8.236 1.00 0.00 H new ATOM 0 HB2 HIS A 78 13.710 -8.762 -7.700 1.00 0.00 H new ATOM 0 HB3 HIS A 78 12.644 -7.398 -7.427 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.963 -6.931 -4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 78 15.177 -9.538 -5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.213 -7.100 -2.637 1.00 0.00 H new ATOM 1178 N GLU A 79 12.020 -11.120 -5.626 1.00 0.00 N ATOM 1179 CA GLU A 79 12.375 -12.470 -5.200 1.00 0.00 C ATOM 1180 C GLU A 79 11.417 -13.497 -5.797 1.00 0.00 C ATOM 1181 O GLU A 79 11.741 -14.680 -5.893 1.00 0.00 O ATOM 1182 CB GLU A 79 12.358 -12.567 -3.673 1.00 0.00 C ATOM 1183 CG GLU A 79 13.677 -12.180 -3.025 1.00 0.00 C ATOM 1184 CD GLU A 79 14.718 -13.277 -3.121 1.00 0.00 C ATOM 1185 OE1 GLU A 79 14.538 -14.327 -2.470 1.00 0.00 O ATOM 1186 OE2 GLU A 79 15.715 -13.086 -3.849 1.00 0.00 O ATOM 0 H GLU A 79 11.719 -10.504 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 79 13.381 -12.685 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.569 -11.923 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.107 -13.588 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.061 -11.278 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.505 -11.938 -1.976 1.00 0.00 H new ATOM 1193 N GLY A 80 10.236 -13.036 -6.197 1.00 0.00 N ATOM 1194 CA GLY A 80 9.249 -13.927 -6.778 1.00 0.00 C ATOM 1195 C GLY A 80 8.090 -14.200 -5.840 1.00 0.00 C ATOM 1196 O GLY A 80 7.065 -14.743 -6.252 1.00 0.00 O ATOM 0 H GLY A 80 9.945 -12.061 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.869 -13.491 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.727 -14.870 -7.044 1.00 0.00 H new ATOM 1200 N GLU A 81 8.253 -13.824 -4.575 1.00 0.00 N ATOM 1201 CA GLU A 81 7.211 -14.034 -3.577 1.00 0.00 C ATOM 1202 C GLU A 81 6.005 -13.140 -3.852 1.00 0.00 C ATOM 1203 O GLU A 81 6.141 -12.044 -4.399 1.00 0.00 O ATOM 1204 CB GLU A 81 7.756 -13.758 -2.174 1.00 0.00 C ATOM 1205 CG GLU A 81 6.977 -14.455 -1.071 1.00 0.00 C ATOM 1206 CD GLU A 81 7.382 -15.906 -0.899 1.00 0.00 C ATOM 1207 OE1 GLU A 81 7.833 -16.517 -1.891 1.00 0.00 O ATOM 1208 OE2 GLU A 81 7.247 -16.430 0.226 1.00 0.00 O ATOM 0 H GLU A 81 9.095 -13.373 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 81 6.890 -15.074 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.798 -14.076 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.743 -12.683 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.131 -13.925 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.912 -14.403 -1.295 1.00 0.00 H new ATOM 1215 N THR A 82 4.824 -13.614 -3.469 1.00 0.00 N ATOM 1216 CA THR A 82 3.595 -12.860 -3.675 1.00 0.00 C ATOM 1217 C THR A 82 2.898 -12.571 -2.350 1.00 0.00 C ATOM 1218 O THR A 82 2.993 -13.353 -1.405 1.00 0.00 O ATOM 1219 CB THR A 82 2.620 -13.614 -4.599 1.00 0.00 C ATOM 1220 OG1 THR A 82 2.501 -14.978 -4.177 1.00 0.00 O ATOM 1221 CG2 THR A 82 3.097 -13.565 -6.043 1.00 0.00 C ATOM 0 H THR A 82 4.693 -14.517 -3.014 1.00 0.00 H new ATOM 0 HA THR A 82 3.878 -11.919 -4.147 1.00 0.00 H new ATOM 0 HB THR A 82 1.646 -13.129 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.878 -15.450 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.393 -14.104 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.160 -12.527 -6.370 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.081 -14.029 -6.117 1.00 0.00 H new ATOM 1229 N ALA A 83 2.197 -11.444 -2.289 1.00 0.00 N ATOM 1230 CA ALA A 83 1.483 -11.053 -1.080 1.00 0.00 C ATOM 1231 C ALA A 83 0.437 -9.985 -1.381 1.00 0.00 C ATOM 1232 O ALA A 83 0.710 -9.020 -2.096 1.00 0.00 O ATOM 1233 CB ALA A 83 2.461 -10.554 -0.026 1.00 0.00 C ATOM 0 H ALA A 83 2.108 -10.785 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 83 0.967 -11.932 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.913 -10.266 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.167 -11.347 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.004 -9.691 -0.413 1.00 0.00 H new ATOM 1239 N TYR A 84 -0.760 -10.164 -0.832 1.00 0.00 N ATOM 1240 CA TYR A 84 -1.847 -9.217 -1.046 1.00 0.00 C ATOM 1241 C TYR A 84 -1.580 -7.905 -0.313 1.00 0.00 C ATOM 1242 O TYR A 84 -1.466 -7.878 0.912 1.00 0.00 O ATOM 1243 CB TYR A 84 -3.173 -9.816 -0.573 1.00 0.00 C ATOM 1244 CG TYR A 84 -3.362 -11.262 -0.975 1.00 0.00 C ATOM 1245 CD1 TYR A 84 -3.372 -11.636 -2.313 1.00 0.00 C ATOM 1246 CD2 TYR A 84 -3.529 -12.253 -0.017 1.00 0.00 C ATOM 1247 CE1 TYR A 84 -3.545 -12.955 -2.685 1.00 0.00 C ATOM 1248 CE2 TYR A 84 -3.700 -13.576 -0.380 1.00 0.00 C ATOM 1249 CZ TYR A 84 -3.709 -13.921 -1.715 1.00 0.00 C ATOM 1250 OH TYR A 84 -3.880 -15.236 -2.080 1.00 0.00 O ATOM 0 H TYR A 84 -1.001 -10.956 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.909 -9.010 -2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.230 -9.739 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.994 -9.225 -0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.242 -10.882 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.525 -11.986 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.552 -13.228 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.826 -14.335 0.378 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.980 -15.788 -1.277 1.00 0.00 H new ATOM 1260 N ILE A 85 -1.479 -6.821 -1.074 1.00 0.00 N ATOM 1261 CA ILE A 85 -1.227 -5.506 -0.498 1.00 0.00 C ATOM 1262 C ILE A 85 -2.467 -4.622 -0.579 1.00 0.00 C ATOM 1263 O ILE A 85 -3.272 -4.748 -1.503 1.00 0.00 O ATOM 1264 CB ILE A 85 -0.058 -4.797 -1.206 1.00 0.00 C ATOM 1265 CG1 ILE A 85 -0.346 -4.662 -2.703 1.00 0.00 C ATOM 1266 CG2 ILE A 85 1.240 -5.557 -0.978 1.00 0.00 C ATOM 1267 CD1 ILE A 85 0.010 -3.305 -3.267 1.00 0.00 C ATOM 0 H ILE A 85 -1.568 -6.827 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.966 -5.665 0.548 1.00 0.00 H new ATOM 0 HB ILE A 85 0.050 -3.798 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.211 -5.428 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.404 -4.854 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.057 -5.043 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.450 -5.606 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.145 -6.567 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.221 -3.282 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.566 -2.535 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.074 -3.119 -3.122 1.00 0.00 H new ATOM 1279 N ARG A 86 -2.614 -3.727 0.391 1.00 0.00 N ATOM 1280 CA ARG A 86 -3.756 -2.822 0.430 1.00 0.00 C ATOM 1281 C ARG A 86 -3.313 -1.379 0.208 1.00 0.00 C ATOM 1282 O ARG A 86 -2.310 -0.933 0.767 1.00 0.00 O ATOM 1283 CB ARG A 86 -4.484 -2.942 1.769 1.00 0.00 C ATOM 1284 CG ARG A 86 -5.883 -2.346 1.757 1.00 0.00 C ATOM 1285 CD ARG A 86 -6.935 -3.399 1.447 1.00 0.00 C ATOM 1286 NE ARG A 86 -7.853 -3.601 2.565 1.00 0.00 N ATOM 1287 CZ ARG A 86 -9.086 -4.077 2.427 1.00 0.00 C ATOM 1288 NH1 ARG A 86 -9.544 -4.399 1.226 1.00 0.00 N ATOM 1289 NH2 ARG A 86 -9.861 -4.232 3.493 1.00 0.00 N ATOM 0 H ARG A 86 -1.956 -3.609 1.161 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.438 -3.103 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.549 -3.995 2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.894 -2.446 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.095 -1.893 2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.934 -1.550 1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.499 -3.099 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.444 -4.342 1.206 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.530 -3.364 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.950 -4.282 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.491 -4.764 1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.510 -3.986 4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.807 -4.597 3.387 1.00 0.00 H new ATOM 1303 N VAL A 87 -4.067 -0.653 -0.612 1.00 0.00 N ATOM 1304 CA VAL A 87 -3.753 0.740 -0.908 1.00 0.00 C ATOM 1305 C VAL A 87 -4.940 1.647 -0.605 1.00 0.00 C ATOM 1306 O VAL A 87 -6.091 1.285 -0.852 1.00 0.00 O ATOM 1307 CB VAL A 87 -3.344 0.923 -2.381 1.00 0.00 C ATOM 1308 CG1 VAL A 87 -2.794 2.322 -2.614 1.00 0.00 C ATOM 1309 CG2 VAL A 87 -2.325 -0.133 -2.785 1.00 0.00 C ATOM 0 H VAL A 87 -4.900 -1.007 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.915 1.018 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.230 0.799 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.510 2.432 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.558 3.059 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.919 2.479 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.047 0.011 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.439 -0.042 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.759 -1.125 -2.658 1.00 0.00 H new ATOM 1319 N LYS A 88 -4.654 2.829 -0.070 1.00 0.00 N ATOM 1320 CA LYS A 88 -5.696 3.791 0.265 1.00 0.00 C ATOM 1321 C LYS A 88 -5.146 5.213 0.265 1.00 0.00 C ATOM 1322 O LYS A 88 -3.979 5.438 0.585 1.00 0.00 O ATOM 1323 CB LYS A 88 -6.298 3.467 1.635 1.00 0.00 C ATOM 1324 CG LYS A 88 -5.287 3.500 2.767 1.00 0.00 C ATOM 1325 CD LYS A 88 -5.042 2.113 3.337 1.00 0.00 C ATOM 1326 CE LYS A 88 -4.449 2.183 4.736 1.00 0.00 C ATOM 1327 NZ LYS A 88 -5.399 1.682 5.767 1.00 0.00 N ATOM 0 H LYS A 88 -3.707 3.144 0.141 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.475 3.721 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.095 4.179 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.756 2.479 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.347 3.917 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.645 4.161 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.980 1.559 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.367 1.563 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.532 1.595 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.176 3.213 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.957 1.746 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.264 2.259 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.640 0.691 5.565 1.00 0.00 H new ATOM 1341 N VAL A 89 -5.993 6.172 -0.096 1.00 0.00 N ATOM 1342 CA VAL A 89 -5.592 7.573 -0.135 1.00 0.00 C ATOM 1343 C VAL A 89 -5.286 8.097 1.264 1.00 0.00 C ATOM 1344 O VAL A 89 -6.174 8.187 2.112 1.00 0.00 O ATOM 1345 CB VAL A 89 -6.684 8.452 -0.773 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -7.985 8.337 0.006 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -6.225 9.900 -0.850 1.00 0.00 C ATOM 0 H VAL A 89 -6.962 6.004 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.690 7.627 -0.745 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.864 8.098 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.745 8.965 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.320 7.300 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.824 8.664 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.009 10.507 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.015 10.269 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.321 9.963 -1.456 1.00 0.00 H new ATOM 1357 N ASP A 90 -4.025 8.439 1.498 1.00 0.00 N ATOM 1358 CA ASP A 90 -3.601 8.956 2.795 1.00 0.00 C ATOM 1359 C ASP A 90 -4.614 9.960 3.337 1.00 0.00 C ATOM 1360 O ASP A 90 -4.815 11.027 2.760 1.00 0.00 O ATOM 1361 CB ASP A 90 -2.224 9.614 2.680 1.00 0.00 C ATOM 1362 CG ASP A 90 -1.769 10.234 3.986 1.00 0.00 C ATOM 1363 OD1 ASP A 90 -2.067 9.656 5.053 1.00 0.00 O ATOM 1364 OD2 ASP A 90 -1.116 11.298 3.942 1.00 0.00 O ATOM 0 H ASP A 90 -3.278 8.368 0.807 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.538 8.119 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.494 8.870 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.255 10.382 1.907 1.00 0.00 H new ATOM 1369 N GLY A 91 -5.250 9.608 4.450 1.00 0.00 N ATOM 1370 CA GLY A 91 -6.235 10.487 5.051 1.00 0.00 C ATOM 1371 C GLY A 91 -7.400 9.727 5.656 1.00 0.00 C ATOM 1372 O GLY A 91 -7.357 8.507 5.815 1.00 0.00 O ATOM 0 H GLY A 91 -5.100 8.729 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.757 11.088 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.609 11.178 4.296 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.469 10.456 6.005 1.00 0.00 N ATOM 1377 CA PRO A 92 -9.670 9.864 6.602 1.00 0.00 C ATOM 1378 C PRO A 92 -10.453 9.013 5.608 1.00 0.00 C ATOM 1379 O PRO A 92 -10.861 9.495 4.551 1.00 0.00 O ATOM 1380 CB PRO A 92 -10.493 11.082 7.027 1.00 0.00 C ATOM 1381 CG PRO A 92 -10.045 12.177 6.121 1.00 0.00 C ATOM 1382 CD PRO A 92 -8.590 11.915 5.845 1.00 0.00 C ATOM 0 HA PRO A 92 -9.426 9.190 7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.562 10.894 6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.315 11.335 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.623 12.181 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.184 13.152 6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.308 12.234 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.946 12.450 6.543 1.00 0.00 H new ATOM 1390 N ARG A 93 -10.660 7.747 5.954 1.00 0.00 N ATOM 1391 CA ARG A 93 -11.392 6.828 5.091 1.00 0.00 C ATOM 1392 C ARG A 93 -12.881 7.161 5.085 1.00 0.00 C ATOM 1393 O ARG A 93 -13.497 7.323 6.139 1.00 0.00 O ATOM 1394 CB ARG A 93 -11.183 5.384 5.552 1.00 0.00 C ATOM 1395 CG ARG A 93 -10.795 4.437 4.428 1.00 0.00 C ATOM 1396 CD ARG A 93 -11.450 3.075 4.596 1.00 0.00 C ATOM 1397 NE ARG A 93 -10.517 1.982 4.335 1.00 0.00 N ATOM 1398 CZ ARG A 93 -10.101 1.648 3.119 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -10.532 2.316 2.059 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -9.250 0.641 2.962 1.00 0.00 N ATOM 0 H ARG A 93 -10.331 7.334 6.827 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.008 6.936 4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -10.407 5.364 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.100 5.024 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.088 4.867 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.711 4.321 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.841 2.983 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.300 2.996 3.918 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.166 1.447 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.186 3.090 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.210 2.056 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.916 0.124 3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.930 0.384 2.028 1.00 0.00 H new ATOM 1414 N SER A 94 -13.455 7.261 3.890 1.00 0.00 N ATOM 1415 CA SER A 94 -14.871 7.579 3.745 1.00 0.00 C ATOM 1416 C SER A 94 -15.739 6.455 4.305 1.00 0.00 C ATOM 1417 O SER A 94 -15.385 5.278 4.253 1.00 0.00 O ATOM 1418 CB SER A 94 -15.214 7.818 2.274 1.00 0.00 C ATOM 1419 OG SER A 94 -15.400 9.198 2.012 1.00 0.00 O ATOM 0 H SER A 94 -12.961 7.126 3.008 1.00 0.00 H new ATOM 0 HA SER A 94 -15.074 8.489 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.415 7.429 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.120 7.270 2.015 1.00 0.00 H new ATOM 0 HG SER A 94 -15.617 9.325 1.065 1.00 0.00 H new ATOM 1425 N PRO A 95 -16.905 6.828 4.854 1.00 0.00 N ATOM 1426 CA PRO A 95 -17.849 5.868 5.434 1.00 0.00 C ATOM 1427 C PRO A 95 -18.514 4.996 4.374 1.00 0.00 C ATOM 1428 O PRO A 95 -18.618 5.387 3.212 1.00 0.00 O ATOM 1429 CB PRO A 95 -18.887 6.761 6.120 1.00 0.00 C ATOM 1430 CG PRO A 95 -18.824 8.052 5.379 1.00 0.00 C ATOM 1431 CD PRO A 95 -17.392 8.214 4.950 1.00 0.00 C ATOM 0 HA PRO A 95 -17.356 5.168 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.883 6.322 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.655 6.899 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -19.491 8.040 4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -19.138 8.881 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.315 8.734 3.995 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.818 8.792 5.675 1.00 0.00 H new ATOM 1439 N SER A 96 -18.963 3.814 4.783 1.00 0.00 N ATOM 1440 CA SER A 96 -19.615 2.885 3.868 1.00 0.00 C ATOM 1441 C SER A 96 -20.915 3.476 3.329 1.00 0.00 C ATOM 1442 O SER A 96 -21.064 3.679 2.124 1.00 0.00 O ATOM 1443 CB SER A 96 -19.899 1.557 4.572 1.00 0.00 C ATOM 1444 OG SER A 96 -19.604 0.458 3.727 1.00 0.00 O ATOM 0 H SER A 96 -18.887 3.477 5.743 1.00 0.00 H new ATOM 0 HA SER A 96 -18.942 2.707 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.303 1.490 5.482 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.946 1.518 4.873 1.00 0.00 H new ATOM 0 HG SER A 96 -19.792 -0.379 4.201 1.00 0.00 H new ATOM 1450 N TYR A 97 -21.851 3.750 4.230 1.00 0.00 N ATOM 1451 CA TYR A 97 -23.139 4.315 3.847 1.00 0.00 C ATOM 1452 C TYR A 97 -22.960 5.442 2.833 1.00 0.00 C ATOM 1453 O TYR A 97 -22.127 6.329 3.015 1.00 0.00 O ATOM 1454 CB TYR A 97 -23.879 4.837 5.080 1.00 0.00 C ATOM 1455 CG TYR A 97 -25.350 4.488 5.096 1.00 0.00 C ATOM 1456 CD1 TYR A 97 -26.259 5.189 4.312 1.00 0.00 C ATOM 1457 CD2 TYR A 97 -25.831 3.459 5.895 1.00 0.00 C ATOM 1458 CE1 TYR A 97 -27.603 4.874 4.324 1.00 0.00 C ATOM 1459 CE2 TYR A 97 -27.174 3.137 5.912 1.00 0.00 C ATOM 1460 CZ TYR A 97 -28.056 3.847 5.126 1.00 0.00 C ATOM 1461 OH TYR A 97 -29.396 3.530 5.139 1.00 0.00 O ATOM 0 H TYR A 97 -21.742 3.590 5.231 1.00 0.00 H new ATOM 0 HA TYR A 97 -23.730 3.524 3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -23.408 4.431 5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -23.771 5.921 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.908 5.994 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.143 2.901 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -28.296 5.429 3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -27.531 2.333 6.538 1.00 0.00 H new ATOM 0 HH TYR A 97 -29.550 2.783 5.755 1.00 0.00 H new ATOM 1471 N GLY A 98 -23.749 5.399 1.764 1.00 0.00 N ATOM 1472 CA GLY A 98 -23.663 6.421 0.737 1.00 0.00 C ATOM 1473 C GLY A 98 -23.602 5.835 -0.659 1.00 0.00 C ATOM 1474 O GLY A 98 -24.422 6.165 -1.515 1.00 0.00 O ATOM 0 H GLY A 98 -24.446 4.675 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -24.526 7.082 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.777 7.032 0.910 1.00 0.00 H new ATOM 1478 N ARG A 99 -22.625 4.964 -0.892 1.00 0.00 N ATOM 1479 CA ARG A 99 -22.457 4.334 -2.195 1.00 0.00 C ATOM 1480 C ARG A 99 -23.625 3.401 -2.502 1.00 0.00 C ATOM 1481 O ARG A 99 -23.997 2.564 -1.679 1.00 0.00 O ATOM 1482 CB ARG A 99 -21.142 3.554 -2.243 1.00 0.00 C ATOM 1483 CG ARG A 99 -20.242 3.949 -3.402 1.00 0.00 C ATOM 1484 CD ARG A 99 -18.780 3.661 -3.096 1.00 0.00 C ATOM 1485 NE ARG A 99 -17.964 3.623 -4.306 1.00 0.00 N ATOM 1486 CZ ARG A 99 -16.695 3.229 -4.325 1.00 0.00 C ATOM 1487 NH1 ARG A 99 -16.101 2.841 -3.206 1.00 0.00 N ATOM 1488 NH2 ARG A 99 -16.019 3.223 -5.467 1.00 0.00 N ATOM 0 H ARG A 99 -21.938 4.679 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 99 -22.433 5.120 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -20.604 3.707 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -21.363 2.489 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -20.541 3.405 -4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -20.368 5.010 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -18.393 4.426 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -18.700 2.707 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.391 3.915 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.618 2.844 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.127 2.539 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.473 3.521 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.045 2.921 -5.481 1.00 0.00 H new ATOM 1502 N SER A 100 -24.200 3.552 -3.691 1.00 0.00 N ATOM 1503 CA SER A 100 -25.329 2.727 -4.105 1.00 0.00 C ATOM 1504 C SER A 100 -24.929 1.793 -5.244 1.00 0.00 C ATOM 1505 O SER A 100 -24.026 2.097 -6.022 1.00 0.00 O ATOM 1506 CB SER A 100 -26.501 3.609 -4.540 1.00 0.00 C ATOM 1507 OG SER A 100 -27.705 3.200 -3.916 1.00 0.00 O ATOM 0 H SER A 100 -23.902 4.238 -4.385 1.00 0.00 H new ATOM 0 HA SER A 100 -25.637 2.122 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 100 -26.292 4.648 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 100 -26.614 3.561 -5.623 1.00 0.00 H new ATOM 0 HG SER A 100 -28.439 3.780 -4.209 1.00 0.00 H new ATOM 1513 N ARG A 101 -25.612 0.656 -5.335 1.00 0.00 N ATOM 1514 CA ARG A 101 -25.328 -0.323 -6.377 1.00 0.00 C ATOM 1515 C ARG A 101 -26.027 0.053 -7.680 1.00 0.00 C ATOM 1516 O ARG A 101 -27.251 -0.025 -7.785 1.00 0.00 O ATOM 1517 CB ARG A 101 -25.773 -1.717 -5.931 1.00 0.00 C ATOM 1518 CG ARG A 101 -24.718 -2.469 -5.137 1.00 0.00 C ATOM 1519 CD ARG A 101 -24.326 -3.769 -5.822 1.00 0.00 C ATOM 1520 NE ARG A 101 -23.419 -3.545 -6.944 1.00 0.00 N ATOM 1521 CZ ARG A 101 -23.126 -4.472 -7.849 1.00 0.00 C ATOM 1522 NH1 ARG A 101 -23.668 -5.680 -7.765 1.00 0.00 N ATOM 1523 NH2 ARG A 101 -22.292 -4.192 -8.842 1.00 0.00 N ATOM 0 H ARG A 101 -26.365 0.391 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 101 -24.252 -0.331 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -26.674 -1.625 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -26.039 -2.303 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -23.836 -1.840 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -25.097 -2.683 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -23.851 -4.431 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -25.223 -4.276 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 101 -22.987 -2.626 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -24.311 -5.899 -7.004 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -23.441 -6.390 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -21.875 -3.264 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -22.068 -4.905 -9.536 1.00 0.00 H new ATOM 1537 N SER A 102 -25.240 0.461 -8.672 1.00 0.00 N ATOM 1538 CA SER A 102 -25.784 0.852 -9.966 1.00 0.00 C ATOM 1539 C SER A 102 -24.665 1.093 -10.975 1.00 0.00 C ATOM 1540 O SER A 102 -23.490 1.160 -10.611 1.00 0.00 O ATOM 1541 CB SER A 102 -26.637 2.115 -9.825 1.00 0.00 C ATOM 1542 OG SER A 102 -27.783 2.052 -10.655 1.00 0.00 O ATOM 0 H SER A 102 -24.225 0.529 -8.603 1.00 0.00 H new ATOM 0 HA SER A 102 -26.410 0.037 -10.330 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.943 2.237 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.042 2.990 -10.087 1.00 0.00 H new ATOM 0 HG SER A 102 -28.312 2.870 -10.545 1.00 0.00 H new ATOM 1548 N SER A 103 -25.037 1.222 -12.244 1.00 0.00 N ATOM 1549 CA SER A 103 -24.065 1.450 -13.306 1.00 0.00 C ATOM 1550 C SER A 103 -23.162 0.234 -13.488 1.00 0.00 C ATOM 1551 O SER A 103 -23.283 -0.756 -12.768 1.00 0.00 O ATOM 1552 CB SER A 103 -23.219 2.686 -12.995 1.00 0.00 C ATOM 1553 OG SER A 103 -22.925 3.414 -14.176 1.00 0.00 O ATOM 0 H SER A 103 -26.005 1.172 -12.562 1.00 0.00 H new ATOM 0 HA SER A 103 -24.611 1.616 -14.234 1.00 0.00 H new ATOM 0 HB2 SER A 103 -23.751 3.327 -12.292 1.00 0.00 H new ATOM 0 HB3 SER A 103 -22.291 2.383 -12.511 1.00 0.00 H new ATOM 0 HG SER A 103 -22.385 4.200 -13.950 1.00 0.00 H new ATOM 1559 N GLY A 104 -22.255 0.317 -14.457 1.00 0.00 N ATOM 1560 CA GLY A 104 -21.344 -0.782 -14.717 1.00 0.00 C ATOM 1561 C GLY A 104 -21.765 -1.614 -15.912 1.00 0.00 C ATOM 1562 O GLY A 104 -22.082 -2.797 -15.792 1.00 0.00 O ATOM 0 H GLY A 104 -22.135 1.126 -15.066 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -20.343 -0.387 -14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -21.289 -1.420 -13.835 1.00 0.00 H new ATOM 1566 N PRO A 105 -21.775 -0.989 -17.099 1.00 0.00 N ATOM 1567 CA PRO A 105 -22.159 -1.660 -18.344 1.00 0.00 C ATOM 1568 C PRO A 105 -21.130 -2.695 -18.787 1.00 0.00 C ATOM 1569 O PRO A 105 -19.950 -2.593 -18.452 1.00 0.00 O ATOM 1570 CB PRO A 105 -22.235 -0.514 -19.356 1.00 0.00 C ATOM 1571 CG PRO A 105 -21.322 0.531 -18.814 1.00 0.00 C ATOM 1572 CD PRO A 105 -21.410 0.421 -17.317 1.00 0.00 C ATOM 0 HA PRO A 105 -23.091 -2.215 -18.237 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -21.920 -0.840 -20.347 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -23.254 -0.138 -19.453 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -20.300 0.373 -19.158 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -21.621 1.524 -19.151 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -20.462 0.669 -16.840 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -22.160 1.098 -16.908 1.00 0.00 H new ATOM 1580 N SER A 106 -21.585 -3.690 -19.542 1.00 0.00 N ATOM 1581 CA SER A 106 -20.704 -4.745 -20.027 1.00 0.00 C ATOM 1582 C SER A 106 -21.009 -5.079 -21.484 1.00 0.00 C ATOM 1583 O SER A 106 -22.114 -4.839 -21.970 1.00 0.00 O ATOM 1584 CB SER A 106 -20.851 -5.999 -19.164 1.00 0.00 C ATOM 1585 OG SER A 106 -19.891 -6.017 -18.121 1.00 0.00 O ATOM 0 H SER A 106 -22.558 -3.787 -19.831 1.00 0.00 H new ATOM 0 HA SER A 106 -19.677 -4.386 -19.961 1.00 0.00 H new ATOM 0 HB2 SER A 106 -21.854 -6.036 -18.740 1.00 0.00 H new ATOM 0 HB3 SER A 106 -20.734 -6.887 -19.785 1.00 0.00 H new ATOM 0 HG SER A 106 -20.008 -6.828 -17.583 1.00 0.00 H new ATOM 1591 N SER A 107 -20.020 -5.636 -22.177 1.00 0.00 N ATOM 1592 CA SER A 107 -20.180 -6.001 -23.579 1.00 0.00 C ATOM 1593 C SER A 107 -20.844 -7.367 -23.713 1.00 0.00 C ATOM 1594 O SER A 107 -20.500 -8.310 -23.002 1.00 0.00 O ATOM 1595 CB SER A 107 -18.821 -6.010 -24.283 1.00 0.00 C ATOM 1596 OG SER A 107 -18.015 -7.080 -23.821 1.00 0.00 O ATOM 0 H SER A 107 -19.100 -5.844 -21.790 1.00 0.00 H new ATOM 0 HA SER A 107 -20.822 -5.257 -24.052 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.966 -6.098 -25.360 1.00 0.00 H new ATOM 0 HB3 SER A 107 -18.310 -5.063 -24.107 1.00 0.00 H new ATOM 0 HG SER A 107 -17.153 -7.065 -24.287 1.00 0.00 H new ATOM 1602 N GLY A 108 -21.800 -7.466 -24.633 1.00 0.00 N ATOM 1603 CA GLY A 108 -22.498 -8.720 -24.845 1.00 0.00 C ATOM 1604 C GLY A 108 -21.583 -9.814 -25.359 1.00 0.00 C ATOM 1605 O GLY A 108 -21.497 -10.044 -26.566 1.00 0.00 O ATOM 0 H GLY A 108 -22.103 -6.700 -25.235 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -22.953 -9.042 -23.908 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -23.309 -8.565 -25.557 1.00 0.00 H new TER 1609 GLY A 108