USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 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 38 TYR OH : rot -153:sc= 0.527 USER MOD Set 1.2: A 39 GLN : amide:sc= -4.29! C(o=-4!,f=-7.4!) USER MOD Set 1.3: A 84 GLN : amide:sc= -0.284 K(o=-4,f=-6.3) USER MOD Set 2.1: A 57 MET CE :methyl -127:sc= -0.595 (180deg=-2.69!) USER MOD Set 2.2: A 65 CYS SG : rot -120:sc= -0.0637 USER MOD Set 3.1: A 25 GLN : amide:sc= 0.703 K(o=1.4,f=0.28) USER MOD Set 3.2: A 63 CYS SG : rot 148:sc= 0.656 USER MOD Set 4.1: A 28 SER OG : rot 83:sc= 1.21 USER MOD Set 4.2: A 31 GLN : amide:sc= -1.2 X(o=0.01,f=-0.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.245 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 72:sc= 0.326 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00278 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -15:sc= -0.628 USER MOD Single : A 48 SER OG : rot 64:sc= 0.683 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 109:sc= -0.197 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.02 K(o=1,f=-0.066) USER MOD Single : A 80 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.1) USER MOD Single : A 82 HIS : no HD1:sc= -0.664 K(o=-0.66,f=-0.044) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 71:sc= 0.457 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 0.00 C ATOM 3 C GLY A 1 2.745 -1.329 -1.523 1.00 0.00 C ATOM 4 O GLY A 1 2.288 -2.100 -2.366 1.00 0.00 O ATOM 0 H1 GLY A 1 0.889 0.931 0.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.592 -0.732 -0.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.978 -0.200 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.394 0.239 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.825 0.788 -1.217 1.00 0.00 H new ATOM 8 N SER A 2 3.834 -1.598 -0.810 1.00 0.00 N ATOM 9 CA SER A 2 4.575 -2.841 -0.986 1.00 0.00 C ATOM 10 C SER A 2 5.437 -3.138 0.237 1.00 0.00 C ATOM 11 O SER A 2 6.330 -2.364 0.583 1.00 0.00 O ATOM 12 CB SER A 2 5.453 -2.765 -2.237 1.00 0.00 C ATOM 13 OG SER A 2 4.818 -3.380 -3.344 1.00 0.00 O ATOM 0 H SER A 2 4.223 -0.972 -0.105 1.00 0.00 H new ATOM 0 HA SER A 2 3.854 -3.650 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.669 -1.722 -2.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.408 -3.253 -2.045 1.00 0.00 H new ATOM 0 HG SER A 2 3.862 -3.166 -3.333 1.00 0.00 H new ATOM 19 N SER A 3 5.164 -4.264 0.888 1.00 0.00 N ATOM 20 CA SER A 3 5.911 -4.662 2.075 1.00 0.00 C ATOM 21 C SER A 3 5.931 -3.538 3.106 1.00 0.00 C ATOM 22 O SER A 3 6.964 -2.911 3.338 1.00 0.00 O ATOM 23 CB SER A 3 7.342 -5.048 1.696 1.00 0.00 C ATOM 24 OG SER A 3 7.360 -6.211 0.887 1.00 0.00 O ATOM 0 H SER A 3 4.430 -4.917 0.613 1.00 0.00 H new ATOM 0 HA SER A 3 5.414 -5.526 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.815 -4.223 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.927 -5.221 2.600 1.00 0.00 H new ATOM 0 HG SER A 3 8.286 -6.435 0.657 1.00 0.00 H new ATOM 30 N GLY A 4 4.780 -3.289 3.723 1.00 0.00 N ATOM 31 CA GLY A 4 4.686 -2.241 4.723 1.00 0.00 C ATOM 32 C GLY A 4 4.513 -0.867 4.108 1.00 0.00 C ATOM 33 O GLY A 4 3.396 -0.459 3.787 1.00 0.00 O ATOM 0 H GLY A 4 3.911 -3.794 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.845 -2.448 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.585 -2.249 5.339 1.00 0.00 H new ATOM 37 N SER A 5 5.620 -0.150 3.943 1.00 0.00 N ATOM 38 CA SER A 5 5.584 1.190 3.367 1.00 0.00 C ATOM 39 C SER A 5 4.737 2.127 4.223 1.00 0.00 C ATOM 40 O SER A 5 4.074 3.027 3.707 1.00 0.00 O ATOM 41 CB SER A 5 5.030 1.140 1.942 1.00 0.00 C ATOM 42 OG SER A 5 5.678 0.140 1.177 1.00 0.00 O ATOM 0 H SER A 5 6.552 -0.474 4.200 1.00 0.00 H new ATOM 0 HA SER A 5 6.603 1.575 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.959 0.942 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.161 2.110 1.463 1.00 0.00 H new ATOM 0 HG SER A 5 5.390 -0.745 1.485 1.00 0.00 H new ATOM 48 N SER A 6 4.765 1.908 5.534 1.00 0.00 N ATOM 49 CA SER A 6 3.997 2.730 6.462 1.00 0.00 C ATOM 50 C SER A 6 4.385 2.425 7.906 1.00 0.00 C ATOM 51 O SER A 6 4.641 1.276 8.262 1.00 0.00 O ATOM 52 CB SER A 6 2.498 2.495 6.264 1.00 0.00 C ATOM 53 OG SER A 6 2.248 1.196 5.757 1.00 0.00 O ATOM 0 H SER A 6 5.311 1.169 5.977 1.00 0.00 H new ATOM 0 HA SER A 6 4.224 3.776 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.978 2.625 7.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.098 3.240 5.577 1.00 0.00 H new ATOM 0 HG SER A 6 1.283 1.070 5.641 1.00 0.00 H new ATOM 59 N GLY A 7 4.426 3.465 8.733 1.00 0.00 N ATOM 60 CA GLY A 7 4.783 3.290 10.129 1.00 0.00 C ATOM 61 C GLY A 7 6.280 3.352 10.356 1.00 0.00 C ATOM 62 O GLY A 7 6.800 2.725 11.279 1.00 0.00 O ATOM 0 H GLY A 7 4.218 4.426 8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.296 4.062 10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.405 2.330 10.480 1.00 0.00 H new ATOM 66 N GLN A 8 6.975 4.109 9.513 1.00 0.00 N ATOM 67 CA GLN A 8 8.422 4.248 9.626 1.00 0.00 C ATOM 68 C GLN A 8 8.809 5.697 9.901 1.00 0.00 C ATOM 69 O GLN A 8 9.598 6.289 9.165 1.00 0.00 O ATOM 70 CB GLN A 8 9.104 3.759 8.346 1.00 0.00 C ATOM 71 CG GLN A 8 10.557 3.362 8.546 1.00 0.00 C ATOM 72 CD GLN A 8 11.023 2.328 7.539 1.00 0.00 C ATOM 73 OE1 GLN A 8 10.821 1.128 7.726 1.00 0.00 O ATOM 74 NE2 GLN A 8 11.650 2.790 6.463 1.00 0.00 N ATOM 0 H GLN A 8 6.559 4.635 8.744 1.00 0.00 H new ATOM 0 HA GLN A 8 8.757 3.636 10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.553 2.904 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.051 4.545 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.186 4.249 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.686 2.967 9.554 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.796 3.793 6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.986 2.142 5.751 1.00 0.00 H new ATOM 83 N MET A 9 8.249 6.262 10.965 1.00 0.00 N ATOM 84 CA MET A 9 8.537 7.642 11.338 1.00 0.00 C ATOM 85 C MET A 9 7.792 8.028 12.611 1.00 0.00 C ATOM 86 O MET A 9 6.565 8.125 12.618 1.00 0.00 O ATOM 87 CB MET A 9 8.154 8.591 10.201 1.00 0.00 C ATOM 88 CG MET A 9 9.312 9.437 9.699 1.00 0.00 C ATOM 89 SD MET A 9 8.770 11.000 8.980 1.00 0.00 S ATOM 90 CE MET A 9 10.121 12.077 9.454 1.00 0.00 C ATOM 0 H MET A 9 7.593 5.786 11.584 1.00 0.00 H new ATOM 0 HA MET A 9 9.608 7.725 11.526 1.00 0.00 H new ATOM 0 HB2 MET A 9 7.754 8.008 9.371 1.00 0.00 H new ATOM 0 HB3 MET A 9 7.355 9.249 10.542 1.00 0.00 H new ATOM 0 HG2 MET A 9 9.994 9.639 10.525 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.872 8.873 8.953 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.932 13.084 9.081 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.202 12.102 10.541 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.052 11.701 9.029 1.00 0.00 H new ATOM 100 N SER A 10 8.541 8.248 13.687 1.00 0.00 N ATOM 101 CA SER A 10 7.950 8.620 14.967 1.00 0.00 C ATOM 102 C SER A 10 6.941 7.571 15.425 1.00 0.00 C ATOM 103 O SER A 10 5.760 7.636 15.080 1.00 0.00 O ATOM 104 CB SER A 10 7.270 9.986 14.862 1.00 0.00 C ATOM 105 OG SER A 10 6.531 10.280 16.035 1.00 0.00 O ATOM 0 H SER A 10 9.558 8.175 13.698 1.00 0.00 H new ATOM 0 HA SER A 10 8.750 8.677 15.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.022 10.758 14.699 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.606 10.000 13.997 1.00 0.00 H new ATOM 0 HG SER A 10 6.107 11.159 15.943 1.00 0.00 H new ATOM 111 N LEU A 11 7.414 6.604 16.204 1.00 0.00 N ATOM 112 CA LEU A 11 6.555 5.540 16.710 1.00 0.00 C ATOM 113 C LEU A 11 6.656 5.434 18.229 1.00 0.00 C ATOM 114 O LEU A 11 6.655 4.337 18.785 1.00 0.00 O ATOM 115 CB LEU A 11 6.932 4.203 16.069 1.00 0.00 C ATOM 116 CG LEU A 11 5.811 3.169 15.962 1.00 0.00 C ATOM 117 CD1 LEU A 11 4.861 3.527 14.830 1.00 0.00 C ATOM 118 CD2 LEU A 11 6.388 1.776 15.757 1.00 0.00 C ATOM 0 H LEU A 11 8.388 6.535 16.499 1.00 0.00 H new ATOM 0 HA LEU A 11 5.525 5.784 16.448 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.315 4.399 15.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.749 3.765 16.643 1.00 0.00 H new ATOM 0 HG LEU A 11 5.248 3.173 16.896 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.070 2.780 14.769 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.422 4.506 15.020 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.410 3.552 13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.576 1.053 15.683 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.975 1.757 14.839 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.027 1.519 16.602 1.00 0.00 H new ATOM 130 N GLU A 12 6.741 6.583 18.892 1.00 0.00 N ATOM 131 CA GLU A 12 6.841 6.619 20.347 1.00 0.00 C ATOM 132 C GLU A 12 5.966 7.728 20.925 1.00 0.00 C ATOM 133 O GLU A 12 5.892 8.825 20.375 1.00 0.00 O ATOM 134 CB GLU A 12 8.295 6.825 20.775 1.00 0.00 C ATOM 135 CG GLU A 12 8.506 6.732 22.277 1.00 0.00 C ATOM 136 CD GLU A 12 8.803 8.078 22.909 1.00 0.00 C ATOM 137 OE1 GLU A 12 9.795 8.719 22.504 1.00 0.00 O ATOM 138 OE2 GLU A 12 8.042 8.490 23.810 1.00 0.00 O ATOM 0 H GLU A 12 6.743 7.500 18.446 1.00 0.00 H new ATOM 0 HA GLU A 12 6.488 5.663 20.734 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.919 6.080 20.282 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.632 7.802 20.429 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.616 6.306 22.739 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.330 6.049 22.483 1.00 0.00 H new ATOM 145 N GLY A 13 5.305 7.431 22.040 1.00 0.00 N ATOM 146 CA GLY A 13 4.444 8.412 22.675 1.00 0.00 C ATOM 147 C GLY A 13 3.425 7.776 23.600 1.00 0.00 C ATOM 148 O GLY A 13 2.464 7.154 23.145 1.00 0.00 O ATOM 0 H GLY A 13 5.350 6.529 22.515 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.055 9.115 23.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.925 8.986 21.908 1.00 0.00 H new ATOM 152 N THR A 14 3.634 7.930 24.903 1.00 0.00 N ATOM 153 CA THR A 14 2.729 7.364 25.895 1.00 0.00 C ATOM 154 C THR A 14 2.660 8.241 27.141 1.00 0.00 C ATOM 155 O THR A 14 3.318 7.963 28.142 1.00 0.00 O ATOM 156 CB THR A 14 3.160 5.944 26.304 1.00 0.00 C ATOM 157 OG1 THR A 14 4.558 5.765 26.052 1.00 0.00 O ATOM 158 CG2 THR A 14 2.364 4.895 25.542 1.00 0.00 C ATOM 0 H THR A 14 4.423 8.443 25.296 1.00 0.00 H new ATOM 0 HA THR A 14 1.743 7.317 25.432 1.00 0.00 H new ATOM 0 HB THR A 14 2.964 5.822 27.369 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.825 4.860 26.316 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.687 3.900 25.848 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.303 5.015 25.759 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.532 5.017 24.472 1.00 0.00 H new ATOM 166 N GLU A 15 1.858 9.299 27.070 1.00 0.00 N ATOM 167 CA GLU A 15 1.705 10.216 28.194 1.00 0.00 C ATOM 168 C GLU A 15 0.260 10.693 28.313 1.00 0.00 C ATOM 169 O GLU A 15 0.001 11.839 28.682 1.00 0.00 O ATOM 170 CB GLU A 15 2.639 11.417 28.032 1.00 0.00 C ATOM 171 CG GLU A 15 4.105 11.081 28.245 1.00 0.00 C ATOM 172 CD GLU A 15 4.862 12.190 28.949 1.00 0.00 C ATOM 173 OE1 GLU A 15 4.844 13.333 28.444 1.00 0.00 O ATOM 174 OE2 GLU A 15 5.472 11.916 30.003 1.00 0.00 O ATOM 0 H GLU A 15 1.305 9.542 26.248 1.00 0.00 H new ATOM 0 HA GLU A 15 1.969 9.681 29.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.512 11.833 27.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.346 12.192 28.740 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.182 10.165 28.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.572 10.883 27.280 1.00 0.00 H new ATOM 181 N LYS A 16 -0.678 9.807 27.997 1.00 0.00 N ATOM 182 CA LYS A 16 -2.097 10.135 28.068 1.00 0.00 C ATOM 183 C LYS A 16 -2.438 11.280 27.121 1.00 0.00 C ATOM 184 O LYS A 16 -1.576 11.779 26.399 1.00 0.00 O ATOM 185 CB LYS A 16 -2.483 10.511 29.501 1.00 0.00 C ATOM 186 CG LYS A 16 -2.057 9.483 30.535 1.00 0.00 C ATOM 187 CD LYS A 16 -3.236 9.009 31.368 1.00 0.00 C ATOM 188 CE LYS A 16 -3.094 7.544 31.752 1.00 0.00 C ATOM 189 NZ LYS A 16 -4.255 7.065 32.551 1.00 0.00 N ATOM 0 H LYS A 16 -0.481 8.855 27.689 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.664 9.255 27.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.033 11.472 29.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.564 10.642 29.555 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.598 8.631 30.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.299 9.915 31.188 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.314 9.617 32.270 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.160 9.151 30.807 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.000 6.940 30.850 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.177 7.406 32.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.120 6.063 32.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.330 7.625 33.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.127 7.173 31.995 1.00 0.00 H new ATOM 203 N ALA A 17 -3.702 11.693 27.130 1.00 0.00 N ATOM 204 CA ALA A 17 -4.156 12.782 26.275 1.00 0.00 C ATOM 205 C ALA A 17 -4.547 14.003 27.101 1.00 0.00 C ATOM 206 O ALA A 17 -5.222 13.882 28.122 1.00 0.00 O ATOM 207 CB ALA A 17 -5.327 12.326 25.416 1.00 0.00 C ATOM 0 H ALA A 17 -4.429 11.289 27.720 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.330 13.067 25.623 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.656 13.150 24.782 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.016 11.489 24.791 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.149 12.012 26.059 1.00 0.00 H new ATOM 213 N SER A 18 -4.117 15.178 26.652 1.00 0.00 N ATOM 214 CA SER A 18 -4.419 16.420 27.352 1.00 0.00 C ATOM 215 C SER A 18 -5.925 16.659 27.412 1.00 0.00 C ATOM 216 O SER A 18 -6.409 17.439 28.232 1.00 0.00 O ATOM 217 CB SER A 18 -3.731 17.600 26.662 1.00 0.00 C ATOM 218 OG SER A 18 -2.614 18.047 27.409 1.00 0.00 O ATOM 0 H SER A 18 -3.558 15.295 25.807 1.00 0.00 H new ATOM 0 HA SER A 18 -4.042 16.334 28.371 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.410 17.304 25.663 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.441 18.418 26.539 1.00 0.00 H new ATOM 0 HG SER A 18 -2.191 18.800 26.946 1.00 0.00 H new ATOM 224 N TRP A 19 -6.659 15.981 26.537 1.00 0.00 N ATOM 225 CA TRP A 19 -8.110 16.119 26.489 1.00 0.00 C ATOM 226 C TRP A 19 -8.794 14.844 26.971 1.00 0.00 C ATOM 227 O TRP A 19 -9.977 14.623 26.706 1.00 0.00 O ATOM 228 CB TRP A 19 -8.565 16.450 25.067 1.00 0.00 C ATOM 229 CG TRP A 19 -7.893 15.616 24.019 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.753 15.924 23.332 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.319 14.337 23.537 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.446 14.914 22.453 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.391 13.928 22.560 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.394 13.495 23.838 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.507 12.717 21.883 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.508 12.294 23.165 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.569 11.914 22.197 1.00 0.00 C ATOM 0 H TRP A 19 -6.274 15.331 25.852 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.395 16.935 27.153 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.644 16.310 24.996 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.367 17.503 24.866 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.178 16.829 23.461 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.644 14.900 21.823 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.122 13.779 24.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.784 12.422 21.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.335 11.637 23.389 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.686 10.968 21.689 1.00 0.00 H new ATOM 248 N LEU A 20 -8.044 14.007 27.679 1.00 0.00 N ATOM 249 CA LEU A 20 -8.578 12.753 28.198 1.00 0.00 C ATOM 250 C LEU A 20 -8.822 12.845 29.701 1.00 0.00 C ATOM 251 O LEU A 20 -7.904 13.118 30.473 1.00 0.00 O ATOM 252 CB LEU A 20 -7.617 11.602 27.895 1.00 0.00 C ATOM 253 CG LEU A 20 -8.039 10.653 26.773 1.00 0.00 C ATOM 254 CD1 LEU A 20 -6.998 9.561 26.578 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.402 10.045 27.072 1.00 0.00 C ATOM 0 H LEU A 20 -7.064 14.174 27.907 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.531 12.561 27.705 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.645 12.024 27.640 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.482 11.018 28.806 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.114 11.225 25.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.315 8.895 25.776 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.041 10.013 26.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.891 8.991 27.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.686 9.372 26.263 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.354 9.487 28.007 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.143 10.839 27.160 1.00 0.00 H new ATOM 267 N GLY A 21 -10.066 12.614 30.110 1.00 0.00 N ATOM 268 CA GLY A 21 -10.407 12.674 31.519 1.00 0.00 C ATOM 269 C GLY A 21 -11.329 13.833 31.843 1.00 0.00 C ATOM 270 O GLY A 21 -11.982 13.841 32.886 1.00 0.00 O ATOM 0 H GLY A 21 -10.844 12.386 29.490 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.885 11.740 31.814 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.494 12.765 32.107 1.00 0.00 H new ATOM 274 N GLU A 22 -11.380 14.815 30.948 1.00 0.00 N ATOM 275 CA GLU A 22 -12.226 15.985 31.147 1.00 0.00 C ATOM 276 C GLU A 22 -13.223 16.137 30.002 1.00 0.00 C ATOM 277 O GLU A 22 -12.902 15.858 28.847 1.00 0.00 O ATOM 278 CB GLU A 22 -11.370 17.248 31.263 1.00 0.00 C ATOM 279 CG GLU A 22 -12.119 18.442 31.830 1.00 0.00 C ATOM 280 CD GLU A 22 -12.329 18.341 33.329 1.00 0.00 C ATOM 281 OE1 GLU A 22 -11.333 18.441 34.075 1.00 0.00 O ATOM 282 OE2 GLU A 22 -13.489 18.163 33.755 1.00 0.00 O ATOM 0 H GLU A 22 -10.846 14.823 30.079 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.782 15.845 32.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.509 17.036 31.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.984 17.507 30.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.565 19.354 31.605 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.087 18.527 31.336 1.00 0.00 H new ATOM 289 N GLN A 23 -14.432 16.580 30.331 1.00 0.00 N ATOM 290 CA GLN A 23 -15.475 16.768 29.331 1.00 0.00 C ATOM 291 C GLN A 23 -15.036 17.768 28.267 1.00 0.00 C ATOM 292 O GLN A 23 -14.120 18.565 28.470 1.00 0.00 O ATOM 293 CB GLN A 23 -16.768 17.245 29.994 1.00 0.00 C ATOM 294 CG GLN A 23 -17.672 16.112 30.452 1.00 0.00 C ATOM 295 CD GLN A 23 -18.910 16.608 31.172 1.00 0.00 C ATOM 296 OE1 GLN A 23 -20.022 16.520 30.651 1.00 0.00 O ATOM 297 NE2 GLN A 23 -18.724 17.132 32.378 1.00 0.00 N ATOM 0 H GLN A 23 -14.713 16.815 31.283 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.656 15.808 28.848 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.518 17.868 30.852 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.315 17.874 29.292 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.972 15.520 29.588 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.112 15.450 31.113 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.785 17.185 32.772 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.521 17.481 32.911 1.00 0.00 H new ATOM 306 N PRO A 24 -15.704 17.728 27.104 1.00 0.00 N ATOM 307 CA PRO A 24 -15.400 18.625 25.985 1.00 0.00 C ATOM 308 C PRO A 24 -15.796 20.068 26.275 1.00 0.00 C ATOM 309 O PRO A 24 -15.469 20.976 25.511 1.00 0.00 O ATOM 310 CB PRO A 24 -16.241 18.059 24.838 1.00 0.00 C ATOM 311 CG PRO A 24 -17.367 17.351 25.509 1.00 0.00 C ATOM 312 CD PRO A 24 -16.807 16.804 26.793 1.00 0.00 C ATOM 0 HA PRO A 24 -14.332 18.662 25.770 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.605 18.852 24.185 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.658 17.378 24.218 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.195 18.032 25.704 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.754 16.550 24.880 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.556 16.791 27.585 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.452 15.780 26.673 1.00 0.00 H new ATOM 320 N GLN A 25 -16.501 20.273 27.383 1.00 0.00 N ATOM 321 CA GLN A 25 -16.942 21.607 27.773 1.00 0.00 C ATOM 322 C GLN A 25 -15.852 22.333 28.555 1.00 0.00 C ATOM 323 O GLN A 25 -15.822 23.563 28.602 1.00 0.00 O ATOM 324 CB GLN A 25 -18.218 21.521 28.612 1.00 0.00 C ATOM 325 CG GLN A 25 -19.258 20.570 28.041 1.00 0.00 C ATOM 326 CD GLN A 25 -20.654 21.160 28.048 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.866 22.289 27.604 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.617 20.397 28.554 1.00 0.00 N ATOM 0 H GLN A 25 -16.779 19.532 28.027 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.151 22.173 26.865 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.959 21.200 29.621 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.655 22.516 28.697 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.983 20.308 27.019 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.255 19.646 28.618 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.396 19.467 28.911 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.577 20.741 28.585 1.00 0.00 H new ATOM 337 N PHE A 26 -14.960 21.564 29.170 1.00 0.00 N ATOM 338 CA PHE A 26 -13.869 22.134 29.952 1.00 0.00 C ATOM 339 C PHE A 26 -12.527 21.904 29.263 1.00 0.00 C ATOM 340 O PHE A 26 -11.552 21.503 29.898 1.00 0.00 O ATOM 341 CB PHE A 26 -13.846 21.523 31.355 1.00 0.00 C ATOM 342 CG PHE A 26 -15.131 21.708 32.111 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.184 20.824 31.941 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.285 22.767 32.992 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.367 20.993 32.635 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.465 22.941 33.689 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.508 22.052 33.511 1.00 0.00 C ATOM 0 H PHE A 26 -14.971 20.544 29.142 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.036 23.208 30.033 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.631 20.457 31.275 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.031 21.971 31.924 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.079 19.994 31.259 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.473 23.464 33.135 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.181 20.298 32.493 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.572 23.771 34.372 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.431 22.185 34.055 1.00 0.00 H new ATOM 357 N TRP A 27 -12.487 22.160 27.961 1.00 0.00 N ATOM 358 CA TRP A 27 -11.265 21.981 27.184 1.00 0.00 C ATOM 359 C TRP A 27 -10.532 23.306 27.010 1.00 0.00 C ATOM 360 O TRP A 27 -11.134 24.376 27.099 1.00 0.00 O ATOM 361 CB TRP A 27 -11.590 21.380 25.816 1.00 0.00 C ATOM 362 CG TRP A 27 -11.724 19.887 25.839 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.712 19.081 26.941 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.888 19.024 24.709 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.858 17.767 26.564 1.00 0.00 N ATOM 366 CE2 TRP A 27 -11.969 17.706 25.200 1.00 0.00 C ATOM 367 CE3 TRP A 27 -11.976 19.235 23.331 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.133 16.608 24.360 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.138 18.144 22.498 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.216 16.844 23.015 1.00 0.00 C ATOM 0 H TRP A 27 -13.286 22.492 27.421 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.615 21.296 27.728 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.519 21.815 25.447 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.807 21.656 25.110 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.604 19.425 27.959 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.880 16.967 27.197 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.918 20.233 22.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.193 15.605 24.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.206 18.296 21.431 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.344 16.012 22.338 1.00 0.00 H new ATOM 381 N SER A 28 -9.229 23.228 26.761 1.00 0.00 N ATOM 382 CA SER A 28 -8.413 24.423 26.577 1.00 0.00 C ATOM 383 C SER A 28 -8.126 24.663 25.098 1.00 0.00 C ATOM 384 O SER A 28 -8.330 23.782 24.263 1.00 0.00 O ATOM 385 CB SER A 28 -7.098 24.291 27.348 1.00 0.00 C ATOM 386 OG SER A 28 -7.325 23.828 28.668 1.00 0.00 O ATOM 0 H SER A 28 -8.715 22.350 26.682 1.00 0.00 H new ATOM 0 HA SER A 28 -8.970 25.276 26.964 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.435 23.601 26.826 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.593 25.256 27.380 1.00 0.00 H new ATOM 0 HG SER A 28 -7.407 22.851 28.663 1.00 0.00 H new ATOM 392 N LYS A 29 -7.652 25.863 24.781 1.00 0.00 N ATOM 393 CA LYS A 29 -7.335 26.222 23.404 1.00 0.00 C ATOM 394 C LYS A 29 -6.358 25.223 22.792 1.00 0.00 C ATOM 395 O LYS A 29 -6.334 25.026 21.577 1.00 0.00 O ATOM 396 CB LYS A 29 -6.743 27.632 23.346 1.00 0.00 C ATOM 397 CG LYS A 29 -7.790 28.732 23.359 1.00 0.00 C ATOM 398 CD LYS A 29 -7.337 29.923 24.187 1.00 0.00 C ATOM 399 CE LYS A 29 -8.475 30.905 24.421 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.017 32.318 24.323 1.00 0.00 N ATOM 0 H LYS A 29 -7.479 26.604 25.460 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.259 26.199 22.827 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.072 27.770 24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.140 27.727 22.443 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.994 29.054 22.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.724 28.342 23.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.952 29.576 25.146 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.517 30.430 23.679 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.264 30.727 23.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.908 30.731 25.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.821 32.956 24.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.282 32.495 25.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.627 32.492 23.375 1.00 0.00 H new ATOM 414 N THR A 30 -5.553 24.594 23.642 1.00 0.00 N ATOM 415 CA THR A 30 -4.574 23.615 23.186 1.00 0.00 C ATOM 416 C THR A 30 -5.204 22.234 23.040 1.00 0.00 C ATOM 417 O THR A 30 -4.982 21.543 22.046 1.00 0.00 O ATOM 418 CB THR A 30 -3.379 23.522 24.153 1.00 0.00 C ATOM 419 OG1 THR A 30 -3.029 24.828 24.626 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.178 22.886 23.470 1.00 0.00 C ATOM 0 H THR A 30 -5.560 24.745 24.651 1.00 0.00 H new ATOM 0 HA THR A 30 -4.218 23.954 22.213 1.00 0.00 H new ATOM 0 HB THR A 30 -3.670 22.896 24.997 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.270 24.760 25.242 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.347 22.831 24.173 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.439 21.881 23.137 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.887 23.489 22.610 1.00 0.00 H new ATOM 428 N GLN A 31 -5.990 21.840 24.036 1.00 0.00 N ATOM 429 CA GLN A 31 -6.652 20.540 24.018 1.00 0.00 C ATOM 430 C GLN A 31 -7.431 20.345 22.722 1.00 0.00 C ATOM 431 O GLN A 31 -7.347 19.294 22.086 1.00 0.00 O ATOM 432 CB GLN A 31 -7.591 20.406 25.217 1.00 0.00 C ATOM 433 CG GLN A 31 -6.876 20.448 26.558 1.00 0.00 C ATOM 434 CD GLN A 31 -7.829 20.347 27.732 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.734 21.112 28.692 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.757 19.399 27.661 1.00 0.00 N ATOM 0 H GLN A 31 -6.184 22.401 24.865 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.885 19.768 24.079 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.328 21.209 25.182 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.138 19.467 25.136 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.157 19.630 26.608 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.309 21.376 26.634 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.799 18.787 26.846 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.427 19.283 28.421 1.00 0.00 H new ATOM 445 N VAL A 32 -8.192 21.365 22.335 1.00 0.00 N ATOM 446 CA VAL A 32 -8.987 21.306 21.114 1.00 0.00 C ATOM 447 C VAL A 32 -8.132 20.894 19.921 1.00 0.00 C ATOM 448 O VAL A 32 -8.290 19.801 19.377 1.00 0.00 O ATOM 449 CB VAL A 32 -9.652 22.661 20.812 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.493 22.573 19.547 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.497 23.115 21.993 1.00 0.00 C ATOM 0 H VAL A 32 -8.274 22.242 22.850 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.763 20.558 21.277 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.869 23.402 20.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.955 23.540 19.349 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.857 22.296 18.706 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.270 21.820 19.678 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.960 24.075 21.762 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.274 22.376 22.190 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.864 23.220 22.874 1.00 0.00 H new ATOM 461 N LEU A 33 -7.224 21.777 19.519 1.00 0.00 N ATOM 462 CA LEU A 33 -6.342 21.506 18.389 1.00 0.00 C ATOM 463 C LEU A 33 -5.607 20.182 18.577 1.00 0.00 C ATOM 464 O LEU A 33 -5.255 19.513 17.606 1.00 0.00 O ATOM 465 CB LEU A 33 -5.333 22.643 18.220 1.00 0.00 C ATOM 466 CG LEU A 33 -5.904 23.985 17.762 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.024 25.130 18.237 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.049 24.014 16.247 1.00 0.00 C ATOM 0 H LEU A 33 -7.079 22.686 19.958 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.955 21.436 17.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.823 22.794 19.172 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.578 22.328 17.500 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.893 24.107 18.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.447 26.077 17.901 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.972 25.121 19.326 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.022 25.014 17.825 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.457 24.977 15.939 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.072 23.869 15.785 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.722 23.217 15.931 1.00 0.00 H new ATOM 480 N ASP A 34 -5.381 19.811 19.832 1.00 0.00 N ATOM 481 CA ASP A 34 -4.691 18.565 20.148 1.00 0.00 C ATOM 482 C ASP A 34 -5.561 17.360 19.807 1.00 0.00 C ATOM 483 O ASP A 34 -5.059 16.321 19.379 1.00 0.00 O ATOM 484 CB ASP A 34 -4.308 18.531 21.629 1.00 0.00 C ATOM 485 CG ASP A 34 -2.876 18.966 21.867 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.603 20.181 21.778 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.027 18.091 22.141 1.00 0.00 O ATOM 0 H ASP A 34 -5.665 20.354 20.647 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.784 18.517 19.545 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.980 19.181 22.190 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.446 17.521 22.014 1.00 0.00 H new ATOM 492 N TRP A 35 -6.867 17.506 20.000 1.00 0.00 N ATOM 493 CA TRP A 35 -7.807 16.429 19.713 1.00 0.00 C ATOM 494 C TRP A 35 -8.019 16.276 18.211 1.00 0.00 C ATOM 495 O TRP A 35 -8.281 15.178 17.721 1.00 0.00 O ATOM 496 CB TRP A 35 -9.145 16.694 20.405 1.00 0.00 C ATOM 497 CG TRP A 35 -10.222 15.731 20.005 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.404 14.463 20.478 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.263 15.959 19.050 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.496 13.889 19.873 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.041 14.786 18.993 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.615 17.040 18.237 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.147 14.667 18.156 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.713 16.920 17.407 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.469 15.741 17.372 1.00 0.00 C ATOM 0 H TRP A 35 -7.299 18.360 20.354 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.385 15.501 20.097 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.004 16.642 21.485 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.471 17.708 20.174 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.782 13.982 21.218 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.845 12.947 20.051 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.039 17.953 18.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.730 13.759 18.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -12.993 17.749 16.774 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.323 15.679 16.713 1.00 0.00 H new ATOM 516 N ILE A 36 -7.904 17.384 17.486 1.00 0.00 N ATOM 517 CA ILE A 36 -8.082 17.372 16.040 1.00 0.00 C ATOM 518 C ILE A 36 -7.049 16.475 15.366 1.00 0.00 C ATOM 519 O ILE A 36 -7.394 15.603 14.568 1.00 0.00 O ATOM 520 CB ILE A 36 -7.977 18.790 15.448 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.023 19.709 16.081 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.148 18.747 13.936 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.975 21.128 15.561 1.00 0.00 C ATOM 0 H ILE A 36 -7.688 18.301 17.877 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.081 16.980 15.849 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.987 19.188 15.671 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.015 19.297 15.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.878 19.721 17.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.071 19.757 13.532 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.369 18.122 13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.126 18.332 13.692 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.744 21.722 16.054 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.995 21.559 15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.151 21.127 14.485 1.00 0.00 H new ATOM 535 N SER A 37 -5.779 16.693 15.695 1.00 0.00 N ATOM 536 CA SER A 37 -4.695 15.905 15.121 1.00 0.00 C ATOM 537 C SER A 37 -4.970 14.412 15.270 1.00 0.00 C ATOM 538 O SER A 37 -4.627 13.616 14.395 1.00 0.00 O ATOM 539 CB SER A 37 -3.367 16.260 15.793 1.00 0.00 C ATOM 540 OG SER A 37 -2.341 15.366 15.398 1.00 0.00 O ATOM 0 H SER A 37 -5.476 17.409 16.356 1.00 0.00 H new ATOM 0 HA SER A 37 -4.631 16.140 14.059 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.085 17.280 15.532 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.484 16.229 16.876 1.00 0.00 H new ATOM 0 HG SER A 37 -1.502 15.615 15.840 1.00 0.00 H new ATOM 546 N TYR A 38 -5.591 14.040 16.383 1.00 0.00 N ATOM 547 CA TYR A 38 -5.911 12.642 16.649 1.00 0.00 C ATOM 548 C TYR A 38 -6.875 12.094 15.601 1.00 0.00 C ATOM 549 O TYR A 38 -6.681 10.998 15.078 1.00 0.00 O ATOM 550 CB TYR A 38 -6.520 12.493 18.045 1.00 0.00 C ATOM 551 CG TYR A 38 -7.648 11.489 18.109 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.406 10.131 17.942 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.957 11.898 18.336 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.433 9.209 17.999 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.990 10.983 18.396 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.724 9.640 18.227 1.00 0.00 C ATOM 557 OH TYR A 38 -10.751 8.726 18.285 1.00 0.00 O ATOM 0 H TYR A 38 -5.883 14.686 17.116 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.985 12.069 16.600 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.738 12.194 18.743 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.889 13.463 18.377 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.397 9.790 17.764 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.170 12.949 18.468 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.227 8.157 17.866 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.001 11.317 18.574 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.590 9.159 18.023 1.00 0.00 H new ATOM 567 N GLN A 39 -7.913 12.868 15.299 1.00 0.00 N ATOM 568 CA GLN A 39 -8.907 12.461 14.313 1.00 0.00 C ATOM 569 C GLN A 39 -8.380 12.659 12.896 1.00 0.00 C ATOM 570 O GLN A 39 -8.849 12.020 11.953 1.00 0.00 O ATOM 571 CB GLN A 39 -10.201 13.254 14.505 1.00 0.00 C ATOM 572 CG GLN A 39 -11.229 12.541 15.369 1.00 0.00 C ATOM 573 CD GLN A 39 -12.376 11.970 14.559 1.00 0.00 C ATOM 574 OE1 GLN A 39 -13.009 12.676 13.774 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.651 10.685 14.747 1.00 0.00 N ATOM 0 H GLN A 39 -8.087 13.779 15.723 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.114 11.401 14.459 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.964 14.217 14.957 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.639 13.460 13.529 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.741 11.736 15.918 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.623 13.238 16.108 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.100 10.137 15.408 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.413 10.246 14.231 1.00 0.00 H new ATOM 584 N VAL A 40 -7.404 13.549 12.751 1.00 0.00 N ATOM 585 CA VAL A 40 -6.813 13.831 11.449 1.00 0.00 C ATOM 586 C VAL A 40 -5.794 12.763 11.065 1.00 0.00 C ATOM 587 O VAL A 40 -5.572 12.500 9.883 1.00 0.00 O ATOM 588 CB VAL A 40 -6.127 15.210 11.430 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.480 15.466 10.077 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.126 16.305 11.769 1.00 0.00 C ATOM 0 H VAL A 40 -7.006 14.088 13.520 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.628 13.829 10.725 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.343 15.218 12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.000 16.445 10.082 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.733 14.697 9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.242 15.440 9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.625 17.273 11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.933 16.301 11.036 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.537 16.128 12.763 1.00 0.00 H new ATOM 600 N GLU A 41 -5.178 12.152 12.071 1.00 0.00 N ATOM 601 CA GLU A 41 -4.181 11.113 11.838 1.00 0.00 C ATOM 602 C GLU A 41 -4.842 9.742 11.723 1.00 0.00 C ATOM 603 O GLU A 41 -4.296 8.827 11.105 1.00 0.00 O ATOM 604 CB GLU A 41 -3.150 11.101 12.969 1.00 0.00 C ATOM 605 CG GLU A 41 -2.048 10.072 12.777 1.00 0.00 C ATOM 606 CD GLU A 41 -1.406 10.155 11.406 1.00 0.00 C ATOM 607 OE1 GLU A 41 -1.210 11.285 10.910 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.099 9.091 10.829 1.00 0.00 O ATOM 0 H GLU A 41 -5.351 12.358 13.055 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.675 11.334 10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.701 12.091 13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.660 10.903 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.284 10.216 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.459 9.073 12.922 1.00 0.00 H new ATOM 615 N LYS A 42 -6.020 9.607 12.323 1.00 0.00 N ATOM 616 CA LYS A 42 -6.757 8.349 12.288 1.00 0.00 C ATOM 617 C LYS A 42 -7.591 8.242 11.015 1.00 0.00 C ATOM 618 O LYS A 42 -7.711 7.167 10.430 1.00 0.00 O ATOM 619 CB LYS A 42 -7.663 8.232 13.516 1.00 0.00 C ATOM 620 CG LYS A 42 -7.675 6.844 14.133 1.00 0.00 C ATOM 621 CD LYS A 42 -7.686 6.909 15.651 1.00 0.00 C ATOM 622 CE LYS A 42 -7.927 5.538 16.265 1.00 0.00 C ATOM 623 NZ LYS A 42 -6.986 5.260 17.386 1.00 0.00 N ATOM 0 H LYS A 42 -6.485 10.354 12.840 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.035 7.533 12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.337 8.952 14.267 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.680 8.504 13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.552 6.298 13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.799 6.288 13.798 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.735 7.306 16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.463 7.599 15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.953 5.478 16.628 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.815 4.772 15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.182 4.317 17.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.008 5.292 17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.110 5.977 18.129 1.00 0.00 H new ATOM 637 N ASN A 43 -8.163 9.364 10.592 1.00 0.00 N ATOM 638 CA ASN A 43 -8.985 9.396 9.388 1.00 0.00 C ATOM 639 C ASN A 43 -8.114 9.448 8.136 1.00 0.00 C ATOM 640 O ASN A 43 -8.619 9.433 7.013 1.00 0.00 O ATOM 641 CB ASN A 43 -9.926 10.602 9.418 1.00 0.00 C ATOM 642 CG ASN A 43 -11.099 10.396 10.357 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.257 10.525 9.958 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.804 10.075 11.611 1.00 0.00 N ATOM 0 H ASN A 43 -8.073 10.263 11.065 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.578 8.482 9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.369 11.487 9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.299 10.794 8.412 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.552 9.924 12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.830 9.979 11.897 1.00 0.00 H new ATOM 651 N LYS A 44 -6.802 9.509 8.337 1.00 0.00 N ATOM 652 CA LYS A 44 -5.859 9.561 7.227 1.00 0.00 C ATOM 653 C LYS A 44 -6.053 10.833 6.407 1.00 0.00 C ATOM 654 O LYS A 44 -5.650 10.902 5.246 1.00 0.00 O ATOM 655 CB LYS A 44 -6.027 8.333 6.329 1.00 0.00 C ATOM 656 CG LYS A 44 -4.870 7.353 6.416 1.00 0.00 C ATOM 657 CD LYS A 44 -5.341 5.918 6.252 1.00 0.00 C ATOM 658 CE LYS A 44 -4.727 5.267 5.022 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.412 3.993 4.668 1.00 0.00 N ATOM 0 H LYS A 44 -6.368 9.524 9.260 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.851 9.566 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.949 7.819 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.137 8.661 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.136 7.586 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.369 7.465 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.076 5.343 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.428 5.898 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.784 5.956 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.670 5.073 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.964 3.581 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.336 3.326 5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.415 4.182 4.470 1.00 0.00 H new ATOM 673 N TYR A 45 -6.672 11.836 7.019 1.00 0.00 N ATOM 674 CA TYR A 45 -6.920 13.105 6.345 1.00 0.00 C ATOM 675 C TYR A 45 -5.611 13.832 6.053 1.00 0.00 C ATOM 676 O TYR A 45 -4.751 13.960 6.924 1.00 0.00 O ATOM 677 CB TYR A 45 -7.829 13.991 7.200 1.00 0.00 C ATOM 678 CG TYR A 45 -8.489 15.109 6.424 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.330 14.834 5.352 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.271 16.438 6.761 1.00 0.00 C ATOM 681 CE1 TYR A 45 -9.934 15.852 4.640 1.00 0.00 C ATOM 682 CE2 TYR A 45 -8.872 17.462 6.056 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.703 17.164 4.996 1.00 0.00 C ATOM 684 OH TYR A 45 -10.303 18.181 4.289 1.00 0.00 O ATOM 0 H TYR A 45 -7.011 11.795 7.980 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.416 12.894 5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.601 13.372 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.243 14.421 8.013 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.514 13.808 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.620 16.675 7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.584 15.622 3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.692 18.490 6.333 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.653 17.830 3.444 1.00 0.00 H new ATOM 694 N ASP A 46 -5.469 14.307 4.820 1.00 0.00 N ATOM 695 CA ASP A 46 -4.266 15.023 4.412 1.00 0.00 C ATOM 696 C ASP A 46 -3.973 16.180 5.361 1.00 0.00 C ATOM 697 O ASP A 46 -2.820 16.571 5.543 1.00 0.00 O ATOM 698 CB ASP A 46 -4.419 15.547 2.983 1.00 0.00 C ATOM 699 CG ASP A 46 -3.245 15.172 2.100 1.00 0.00 C ATOM 700 OD1 ASP A 46 -2.115 15.612 2.398 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.456 14.439 1.110 1.00 0.00 O ATOM 0 H ASP A 46 -6.171 14.209 4.087 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.429 14.326 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.337 15.150 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.521 16.632 3.006 1.00 0.00 H new ATOM 706 N ALA A 47 -5.025 16.725 5.964 1.00 0.00 N ATOM 707 CA ALA A 47 -4.881 17.836 6.896 1.00 0.00 C ATOM 708 C ALA A 47 -4.330 19.073 6.194 1.00 0.00 C ATOM 709 O ALA A 47 -3.716 19.935 6.824 1.00 0.00 O ATOM 710 CB ALA A 47 -3.979 17.440 8.056 1.00 0.00 C ATOM 0 H ALA A 47 -5.986 16.415 5.823 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.869 18.080 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.881 18.280 8.744 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.414 16.590 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.995 17.166 7.675 1.00 0.00 H new ATOM 716 N SER A 48 -4.553 19.154 4.887 1.00 0.00 N ATOM 717 CA SER A 48 -4.075 20.284 4.098 1.00 0.00 C ATOM 718 C SER A 48 -5.233 21.187 3.685 1.00 0.00 C ATOM 719 O SER A 48 -5.177 21.852 2.651 1.00 0.00 O ATOM 720 CB SER A 48 -3.331 19.788 2.856 1.00 0.00 C ATOM 721 OG SER A 48 -4.223 19.595 1.772 1.00 0.00 O ATOM 0 H SER A 48 -5.062 18.451 4.351 1.00 0.00 H new ATOM 0 HA SER A 48 -3.389 20.863 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.563 20.509 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.821 18.852 3.083 1.00 0.00 H new ATOM 0 HG SER A 48 -4.611 20.456 1.510 1.00 0.00 H new ATOM 727 N ALA A 49 -6.281 21.205 4.502 1.00 0.00 N ATOM 728 CA ALA A 49 -7.452 22.027 4.223 1.00 0.00 C ATOM 729 C ALA A 49 -7.944 22.726 5.486 1.00 0.00 C ATOM 730 O ALA A 49 -8.302 23.905 5.454 1.00 0.00 O ATOM 731 CB ALA A 49 -8.562 21.177 3.621 1.00 0.00 C ATOM 0 H ALA A 49 -6.343 20.660 5.362 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.165 22.793 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.430 21.804 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.213 20.728 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.839 20.390 4.323 1.00 0.00 H new ATOM 737 N ILE A 50 -7.961 21.994 6.594 1.00 0.00 N ATOM 738 CA ILE A 50 -8.409 22.546 7.867 1.00 0.00 C ATOM 739 C ILE A 50 -7.685 23.849 8.186 1.00 0.00 C ATOM 740 O ILE A 50 -6.500 24.001 7.890 1.00 0.00 O ATOM 741 CB ILE A 50 -8.186 21.551 9.021 1.00 0.00 C ATOM 742 CG1 ILE A 50 -8.929 20.242 8.746 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.642 22.159 10.339 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.581 19.135 9.716 1.00 0.00 C ATOM 0 H ILE A 50 -7.670 21.017 6.637 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.477 22.742 7.768 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.120 21.333 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.002 20.427 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.702 19.911 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.478 21.444 11.145 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.072 23.067 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.703 22.402 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.144 18.237 9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.514 18.922 9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.834 19.446 10.729 1.00 0.00 H new ATOM 756 N ASP A 51 -8.405 24.786 8.794 1.00 0.00 N ATOM 757 CA ASP A 51 -7.831 26.076 9.158 1.00 0.00 C ATOM 758 C ASP A 51 -7.638 26.179 10.667 1.00 0.00 C ATOM 759 O ASP A 51 -8.487 26.718 11.377 1.00 0.00 O ATOM 760 CB ASP A 51 -8.727 27.214 8.667 1.00 0.00 C ATOM 761 CG ASP A 51 -8.413 27.625 7.242 1.00 0.00 C ATOM 762 OD1 ASP A 51 -7.726 26.853 6.540 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.852 28.719 6.829 1.00 0.00 O ATOM 0 H ASP A 51 -9.387 24.676 9.045 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.856 26.160 8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.770 26.905 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.609 28.075 9.325 1.00 0.00 H new ATOM 768 N PHE A 52 -6.516 25.657 11.152 1.00 0.00 N ATOM 769 CA PHE A 52 -6.212 25.689 12.578 1.00 0.00 C ATOM 770 C PHE A 52 -6.273 27.115 13.116 1.00 0.00 C ATOM 771 O PHE A 52 -6.570 27.335 14.290 1.00 0.00 O ATOM 772 CB PHE A 52 -4.827 25.092 12.839 1.00 0.00 C ATOM 773 CG PHE A 52 -4.672 23.689 12.325 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.342 22.638 12.929 1.00 0.00 C ATOM 775 CD2 PHE A 52 -3.855 23.423 11.238 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.202 21.346 12.458 1.00 0.00 C ATOM 777 CE2 PHE A 52 -3.712 22.133 10.762 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.385 21.093 11.373 1.00 0.00 C ATOM 0 H PHE A 52 -5.802 25.207 10.579 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.962 25.092 13.097 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.073 25.726 12.373 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.633 25.101 13.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.981 22.830 13.778 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.324 24.232 10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.731 20.535 12.938 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.074 21.938 9.912 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.273 20.084 11.003 1.00 0.00 H new ATOM 788 N SER A 53 -5.989 28.081 12.248 1.00 0.00 N ATOM 789 CA SER A 53 -6.007 29.487 12.636 1.00 0.00 C ATOM 790 C SER A 53 -7.421 29.931 13.001 1.00 0.00 C ATOM 791 O SER A 53 -7.607 30.863 13.785 1.00 0.00 O ATOM 792 CB SER A 53 -5.464 30.358 11.502 1.00 0.00 C ATOM 793 OG SER A 53 -4.087 30.636 11.688 1.00 0.00 O ATOM 0 H SER A 53 -5.744 27.916 11.272 1.00 0.00 H new ATOM 0 HA SER A 53 -5.369 29.605 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.610 29.852 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.024 31.292 11.456 1.00 0.00 H new ATOM 0 HG SER A 53 -3.763 31.193 10.949 1.00 0.00 H new ATOM 799 N ARG A 54 -8.413 29.258 12.428 1.00 0.00 N ATOM 800 CA ARG A 54 -9.809 29.584 12.691 1.00 0.00 C ATOM 801 C ARG A 54 -10.304 28.876 13.949 1.00 0.00 C ATOM 802 O ARG A 54 -11.231 29.345 14.612 1.00 0.00 O ATOM 803 CB ARG A 54 -10.680 29.191 11.496 1.00 0.00 C ATOM 804 CG ARG A 54 -10.582 30.158 10.327 1.00 0.00 C ATOM 805 CD ARG A 54 -11.654 31.235 10.404 1.00 0.00 C ATOM 806 NE ARG A 54 -11.154 32.536 9.970 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.921 33.613 9.841 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.218 33.543 10.111 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.393 34.762 9.441 1.00 0.00 N ATOM 0 H ARG A 54 -8.276 28.484 11.779 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.882 30.660 12.847 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.391 28.196 11.158 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.719 29.129 11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.597 30.624 10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.682 29.610 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.502 30.947 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.019 31.310 11.428 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.161 32.623 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.628 32.661 10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.805 34.371 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.396 34.820 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.984 35.588 9.343 1.00 0.00 H new ATOM 823 N CYS A 55 -9.682 27.748 14.271 1.00 0.00 N ATOM 824 CA CYS A 55 -10.060 26.975 15.448 1.00 0.00 C ATOM 825 C CYS A 55 -9.570 27.653 16.724 1.00 0.00 C ATOM 826 O CYS A 55 -8.610 27.202 17.349 1.00 0.00 O ATOM 827 CB CYS A 55 -9.492 25.558 15.359 1.00 0.00 C ATOM 828 SG CYS A 55 -10.003 24.471 16.710 1.00 0.00 S ATOM 0 H CYS A 55 -8.913 27.348 13.733 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.148 26.920 15.481 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.801 25.113 14.413 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.404 25.615 15.345 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.839 23.583 16.260 1.00 0.00 H new ATOM 834 N ASP A 56 -10.235 28.739 17.103 1.00 0.00 N ATOM 835 CA ASP A 56 -9.866 29.480 18.304 1.00 0.00 C ATOM 836 C ASP A 56 -10.732 29.062 19.488 1.00 0.00 C ATOM 837 O ASP A 56 -10.690 29.682 20.550 1.00 0.00 O ATOM 838 CB ASP A 56 -10.003 30.984 18.062 1.00 0.00 C ATOM 839 CG ASP A 56 -8.711 31.732 18.325 1.00 0.00 C ATOM 840 OD1 ASP A 56 -7.722 31.481 17.604 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.688 32.570 19.250 1.00 0.00 O ATOM 0 H ASP A 56 -11.032 29.126 16.597 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.827 29.250 18.538 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.316 31.156 17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.788 31.383 18.705 1.00 0.00 H new ATOM 846 N MET A 57 -11.518 28.007 19.297 1.00 0.00 N ATOM 847 CA MET A 57 -12.394 27.506 20.349 1.00 0.00 C ATOM 848 C MET A 57 -11.584 26.865 21.472 1.00 0.00 C ATOM 849 O MET A 57 -10.778 25.966 21.233 1.00 0.00 O ATOM 850 CB MET A 57 -13.385 26.491 19.777 1.00 0.00 C ATOM 851 CG MET A 57 -14.240 27.046 18.649 1.00 0.00 C ATOM 852 SD MET A 57 -13.646 26.550 17.020 1.00 0.00 S ATOM 853 CE MET A 57 -14.788 25.226 16.632 1.00 0.00 C ATOM 0 H MET A 57 -11.566 27.483 18.423 1.00 0.00 H new ATOM 0 HA MET A 57 -12.947 28.351 20.760 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.834 25.624 19.412 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.037 26.141 20.577 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.268 26.706 18.776 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.254 28.134 18.711 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.229 24.331 16.360 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.410 25.015 17.502 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.422 25.525 15.797 1.00 0.00 H new ATOM 863 N ASP A 58 -11.803 27.334 22.695 1.00 0.00 N ATOM 864 CA ASP A 58 -11.094 26.806 23.855 1.00 0.00 C ATOM 865 C ASP A 58 -11.665 25.455 24.273 1.00 0.00 C ATOM 866 O ASP A 58 -10.923 24.501 24.504 1.00 0.00 O ATOM 867 CB ASP A 58 -11.177 27.792 25.022 1.00 0.00 C ATOM 868 CG ASP A 58 -12.607 28.117 25.404 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.277 28.839 24.636 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.057 27.651 26.471 1.00 0.00 O ATOM 0 H ASP A 58 -12.466 28.079 22.909 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.049 26.668 23.579 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.660 27.373 25.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.657 28.712 24.754 1.00 0.00 H new ATOM 875 N GLY A 59 -12.989 25.381 24.367 1.00 0.00 N ATOM 876 CA GLY A 59 -13.637 24.143 24.758 1.00 0.00 C ATOM 877 C GLY A 59 -15.149 24.252 24.751 1.00 0.00 C ATOM 878 O GLY A 59 -15.827 23.517 24.034 1.00 0.00 O ATOM 0 H GLY A 59 -13.624 26.156 24.179 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.330 23.346 24.080 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.301 23.860 25.756 1.00 0.00 H new ATOM 882 N ALA A 60 -15.678 25.171 25.552 1.00 0.00 N ATOM 883 CA ALA A 60 -17.119 25.374 25.635 1.00 0.00 C ATOM 884 C ALA A 60 -17.691 25.807 24.289 1.00 0.00 C ATOM 885 O ALA A 60 -18.863 25.571 23.995 1.00 0.00 O ATOM 886 CB ALA A 60 -17.446 26.404 26.706 1.00 0.00 C ATOM 0 H ALA A 60 -15.130 25.787 26.153 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.580 24.424 25.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.526 26.546 26.757 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.080 26.054 27.671 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.967 27.351 26.458 1.00 0.00 H new ATOM 892 N THR A 61 -16.855 26.443 23.474 1.00 0.00 N ATOM 893 CA THR A 61 -17.278 26.911 22.160 1.00 0.00 C ATOM 894 C THR A 61 -17.352 25.759 21.164 1.00 0.00 C ATOM 895 O THR A 61 -18.144 25.790 20.221 1.00 0.00 O ATOM 896 CB THR A 61 -16.322 27.988 21.612 1.00 0.00 C ATOM 897 OG1 THR A 61 -16.165 29.037 22.574 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.848 28.564 20.306 1.00 0.00 C ATOM 0 H THR A 61 -15.881 26.646 23.701 1.00 0.00 H new ATOM 0 HA THR A 61 -18.270 27.346 22.284 1.00 0.00 H new ATOM 0 HB THR A 61 -15.355 27.523 21.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.555 29.717 22.220 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.157 29.322 19.938 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.939 27.767 19.568 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.825 29.016 20.475 1.00 0.00 H new ATOM 906 N LEU A 62 -16.523 24.744 21.378 1.00 0.00 N ATOM 907 CA LEU A 62 -16.494 23.580 20.499 1.00 0.00 C ATOM 908 C LEU A 62 -17.775 22.763 20.635 1.00 0.00 C ATOM 909 O LEU A 62 -18.403 22.403 19.639 1.00 0.00 O ATOM 910 CB LEU A 62 -15.281 22.705 20.817 1.00 0.00 C ATOM 911 CG LEU A 62 -14.974 21.592 19.814 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.360 22.168 18.549 1.00 0.00 C ATOM 913 CD2 LEU A 62 -14.049 20.555 20.435 1.00 0.00 C ATOM 0 H LEU A 62 -15.861 24.703 22.153 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.418 23.934 19.471 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.405 23.348 20.895 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.432 22.252 21.797 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.910 21.101 19.547 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.148 21.361 17.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.057 22.871 18.094 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.433 22.685 18.797 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.841 19.771 19.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.115 21.032 20.731 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.528 20.119 21.312 1.00 0.00 H new ATOM 925 N CYS A 63 -18.158 22.476 21.874 1.00 0.00 N ATOM 926 CA CYS A 63 -19.365 21.702 22.142 1.00 0.00 C ATOM 927 C CYS A 63 -20.613 22.501 21.782 1.00 0.00 C ATOM 928 O CYS A 63 -21.659 21.931 21.473 1.00 0.00 O ATOM 929 CB CYS A 63 -19.415 21.289 23.613 1.00 0.00 C ATOM 930 SG CYS A 63 -19.654 22.667 24.759 1.00 0.00 S ATOM 0 H CYS A 63 -17.650 22.768 22.709 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.338 20.806 21.522 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.224 20.572 23.751 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.487 20.776 23.867 1.00 0.00 H new ATOM 0 HG CYS A 63 -20.327 22.259 25.794 1.00 0.00 H new ATOM 936 N ASN A 64 -20.496 23.824 21.827 1.00 0.00 N ATOM 937 CA ASN A 64 -21.616 24.702 21.508 1.00 0.00 C ATOM 938 C ASN A 64 -21.702 24.950 20.005 1.00 0.00 C ATOM 939 O ASN A 64 -22.775 25.236 19.473 1.00 0.00 O ATOM 940 CB ASN A 64 -21.475 26.033 22.249 1.00 0.00 C ATOM 941 CG ASN A 64 -22.210 26.036 23.576 1.00 0.00 C ATOM 942 OD1 ASN A 64 -23.434 25.907 23.621 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.464 26.186 24.665 1.00 0.00 N ATOM 0 H ASN A 64 -19.637 24.312 22.081 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.534 24.210 21.830 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.419 26.240 22.421 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.859 26.837 21.622 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -21.902 26.198 25.586 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -20.453 26.290 24.580 1.00 0.00 H new ATOM 950 N CYS A 65 -20.565 24.840 19.327 1.00 0.00 N ATOM 951 CA CYS A 65 -20.511 25.053 17.885 1.00 0.00 C ATOM 952 C CYS A 65 -21.560 24.207 17.171 1.00 0.00 C ATOM 953 O CYS A 65 -22.129 23.284 17.753 1.00 0.00 O ATOM 954 CB CYS A 65 -19.117 24.717 17.351 1.00 0.00 C ATOM 955 SG CYS A 65 -18.070 26.162 17.060 1.00 0.00 S ATOM 0 H CYS A 65 -19.668 24.605 19.752 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.724 26.104 17.689 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.618 24.057 18.060 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.221 24.163 16.418 1.00 0.00 H new ATOM 0 HG CYS A 65 -17.730 26.206 15.806 1.00 0.00 H new ATOM 961 N ALA A 66 -21.811 24.529 15.906 1.00 0.00 N ATOM 962 CA ALA A 66 -22.792 23.799 15.113 1.00 0.00 C ATOM 963 C ALA A 66 -22.108 22.860 14.124 1.00 0.00 C ATOM 964 O ALA A 66 -20.944 23.054 13.771 1.00 0.00 O ATOM 965 CB ALA A 66 -23.704 24.770 14.377 1.00 0.00 C ATOM 0 H ALA A 66 -21.349 25.290 15.409 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.395 23.195 15.791 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.432 24.211 13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.226 25.397 15.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.108 25.398 13.715 1.00 0.00 H new ATOM 971 N LEU A 67 -22.838 21.842 13.681 1.00 0.00 N ATOM 972 CA LEU A 67 -22.301 20.872 12.732 1.00 0.00 C ATOM 973 C LEU A 67 -21.700 21.573 11.518 1.00 0.00 C ATOM 974 O LEU A 67 -20.508 21.442 11.243 1.00 0.00 O ATOM 975 CB LEU A 67 -23.399 19.905 12.286 1.00 0.00 C ATOM 976 CG LEU A 67 -23.103 19.088 11.028 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.764 18.378 11.157 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.217 18.085 10.769 1.00 0.00 C ATOM 0 H LEU A 67 -23.802 21.667 13.963 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.511 20.310 13.231 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.601 19.214 13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.312 20.476 12.118 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.050 19.769 10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.569 17.801 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.973 19.115 11.294 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.789 17.708 12.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -23.989 17.513 9.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.302 17.408 11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.160 18.615 10.633 1.00 0.00 H new ATOM 990 N GLU A 68 -22.533 22.317 10.798 1.00 0.00 N ATOM 991 CA GLU A 68 -22.082 23.039 9.614 1.00 0.00 C ATOM 992 C GLU A 68 -20.853 23.887 9.929 1.00 0.00 C ATOM 993 O GLU A 68 -19.999 24.103 9.070 1.00 0.00 O ATOM 994 CB GLU A 68 -23.204 23.929 9.074 1.00 0.00 C ATOM 995 CG GLU A 68 -24.349 23.151 8.448 1.00 0.00 C ATOM 996 CD GLU A 68 -24.028 22.664 7.049 1.00 0.00 C ATOM 997 OE1 GLU A 68 -22.832 22.627 6.692 1.00 0.00 O ATOM 998 OE2 GLU A 68 -24.974 22.320 6.309 1.00 0.00 O ATOM 0 H GLU A 68 -23.523 22.436 11.013 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.811 22.306 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.594 24.542 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.790 24.611 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.590 22.296 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.237 23.783 8.414 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.773 24.365 11.167 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.649 25.190 11.595 1.00 0.00 C ATOM 1007 C GLU A 69 -18.351 24.389 11.586 1.00 0.00 C ATOM 1008 O GLU A 69 -17.365 24.789 10.964 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.904 25.751 12.996 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.044 27.264 13.029 1.00 0.00 C ATOM 1011 CD GLU A 69 -19.689 27.853 14.380 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.441 27.615 15.348 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -18.658 28.553 14.469 1.00 0.00 O ATOM 0 H GLU A 69 -21.472 24.195 11.890 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.550 26.017 10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.812 25.302 13.399 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.084 25.456 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.401 27.701 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.069 27.536 12.776 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.356 23.256 12.280 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.179 22.397 12.352 1.00 0.00 C ATOM 1022 C LEU A 70 -16.727 21.974 10.958 1.00 0.00 C ATOM 1023 O LEU A 70 -15.553 21.676 10.740 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.478 21.160 13.202 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.107 21.422 14.570 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.458 20.111 15.256 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.169 22.246 15.440 1.00 0.00 C ATOM 0 H LEU A 70 -19.162 22.911 12.801 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.373 22.964 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.144 20.508 12.637 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.547 20.613 13.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.026 21.989 14.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.905 20.317 16.229 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.167 19.557 14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.554 19.517 15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.634 22.423 16.410 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.233 21.705 15.579 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.968 23.201 14.955 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.667 21.952 10.018 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.365 21.566 8.645 1.00 0.00 C ATOM 1041 C ARG A 71 -16.724 22.723 7.884 1.00 0.00 C ATOM 1042 O ARG A 71 -16.042 22.517 6.879 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.638 21.113 7.929 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.161 19.768 8.408 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.573 19.510 7.908 1.00 0.00 C ATOM 1046 NE ARG A 71 -20.671 18.252 7.171 1.00 0.00 N ATOM 1047 CZ ARG A 71 -20.310 18.115 5.900 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -19.829 19.152 5.229 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -20.429 16.938 5.299 1.00 0.00 N ATOM 0 H ARG A 71 -18.643 22.197 10.182 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.658 20.737 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.413 21.866 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.442 21.057 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.500 18.974 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.148 19.738 9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.259 19.489 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.886 20.332 7.265 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.037 17.434 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.735 20.058 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.552 19.044 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.798 16.138 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.152 16.833 4.323 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.948 23.939 8.369 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.394 25.130 7.734 1.00 0.00 C ATOM 1065 C LEU A 72 -15.052 25.504 8.356 1.00 0.00 C ATOM 1066 O LEU A 72 -14.282 26.273 7.781 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.370 26.301 7.860 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.255 26.570 6.642 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.712 26.695 7.058 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.796 27.827 5.917 1.00 0.00 C ATOM 0 H LEU A 72 -17.509 24.127 9.200 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.236 24.908 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.015 26.120 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.798 27.204 8.075 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.165 25.726 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.326 26.886 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.036 25.769 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.820 27.520 7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.437 28.003 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.856 28.680 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.766 27.700 5.585 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.777 24.952 9.534 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.526 25.224 10.232 1.00 0.00 C ATOM 1084 C VAL A 73 -12.537 24.077 10.056 1.00 0.00 C ATOM 1085 O VAL A 73 -11.323 24.278 10.095 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.763 25.456 11.736 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.445 25.714 12.451 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.730 26.611 11.951 1.00 0.00 C ATOM 0 H VAL A 73 -15.404 24.314 10.025 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.109 26.130 9.792 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.208 24.555 12.159 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.632 25.876 13.513 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.788 24.853 12.325 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.969 26.598 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.886 26.761 13.019 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.315 27.519 11.514 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.683 26.381 11.474 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.065 22.873 9.861 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.228 21.692 9.679 1.00 0.00 C ATOM 1100 C PHE A 74 -12.519 21.021 8.340 1.00 0.00 C ATOM 1101 O PHE A 74 -12.273 19.829 8.165 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.456 20.699 10.820 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.577 21.351 12.168 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.548 22.131 12.670 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.721 21.185 12.933 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.657 22.732 13.910 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.835 21.783 14.173 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.802 22.559 14.662 1.00 0.00 C ATOM 0 H PHE A 74 -14.068 22.689 9.825 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.186 22.011 9.687 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.363 20.129 10.619 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.630 19.988 10.842 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.650 22.271 12.086 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.533 20.581 12.555 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.847 23.337 14.290 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.731 21.644 14.760 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.890 23.029 15.630 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.045 21.798 7.397 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.362 21.262 6.086 1.00 0.00 C ATOM 1120 C GLY A 75 -14.364 20.126 6.151 1.00 0.00 C ATOM 1121 O GLY A 75 -15.215 20.071 7.039 1.00 0.00 O ATOM 0 H GLY A 75 -13.257 22.788 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.761 22.059 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.447 20.909 5.610 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.271 19.195 5.190 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.170 18.039 5.119 1.00 0.00 C ATOM 1127 C PRO A 76 -14.922 17.042 6.246 1.00 0.00 C ATOM 1128 O PRO A 76 -15.671 16.078 6.411 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.832 17.410 3.765 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.429 17.831 3.491 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.281 19.198 4.100 1.00 0.00 C ATOM 0 HA PRO A 76 -16.216 18.329 5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.920 16.324 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.509 17.760 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.719 17.130 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.232 17.858 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.271 19.364 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.485 19.985 3.374 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.869 17.280 7.020 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.524 16.403 8.133 1.00 0.00 C ATOM 1141 C LEU A 77 -14.478 16.609 9.305 1.00 0.00 C ATOM 1142 O LEU A 77 -14.678 15.711 10.121 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.084 16.659 8.582 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.550 15.741 9.682 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.759 14.282 9.308 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.078 16.022 9.944 1.00 0.00 C ATOM 0 H LEU A 77 -13.239 18.073 6.897 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.614 15.372 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.432 16.569 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.011 17.690 8.929 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.105 15.942 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.373 13.644 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.823 14.090 9.173 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.231 14.065 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.715 15.359 10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.507 15.850 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.956 17.058 10.258 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.065 17.800 9.381 1.00 0.00 N ATOM 1159 CA GLY A 78 -15.993 18.102 10.456 1.00 0.00 C ATOM 1160 C GLY A 78 -17.085 17.059 10.589 1.00 0.00 C ATOM 1161 O GLY A 78 -17.462 16.683 11.700 1.00 0.00 O ATOM 0 H GLY A 78 -14.915 18.560 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.445 18.172 11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.446 19.077 10.278 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.595 16.590 9.456 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.651 15.585 9.451 1.00 0.00 C ATOM 1167 C ASP A 79 -18.266 14.388 10.314 1.00 0.00 C ATOM 1168 O ASP A 79 -19.127 13.724 10.891 1.00 0.00 O ATOM 1169 CB ASP A 79 -18.941 15.126 8.021 1.00 0.00 C ATOM 1170 CG ASP A 79 -20.394 14.743 7.819 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -21.277 15.525 8.231 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -20.648 13.662 7.248 1.00 0.00 O ATOM 0 H ASP A 79 -17.294 16.890 8.529 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.551 16.037 9.869 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.679 15.924 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.307 14.273 7.781 1.00 0.00 H new ATOM 1177 N GLN A 80 -16.967 14.118 10.396 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.469 12.999 11.188 1.00 0.00 C ATOM 1179 C GLN A 80 -16.219 13.422 12.631 1.00 0.00 C ATOM 1180 O GLN A 80 -16.514 12.678 13.568 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.180 12.448 10.575 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.394 11.734 9.250 1.00 0.00 C ATOM 1183 CD GLN A 80 -16.521 10.722 9.307 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -16.721 10.055 10.323 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -17.265 10.601 8.214 1.00 0.00 N ATOM 0 H GLN A 80 -16.241 14.658 9.925 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.229 12.217 11.185 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.478 13.269 10.427 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.718 11.757 11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.611 12.470 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.472 11.229 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.064 11.174 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -18.038 9.935 8.194 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.672 14.620 12.805 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.382 15.143 14.136 1.00 0.00 C ATOM 1196 C LEU A 81 -16.660 15.287 14.955 1.00 0.00 C ATOM 1197 O LEU A 81 -16.722 14.857 16.108 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.675 16.496 14.031 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.376 16.514 13.225 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.892 17.942 13.024 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.308 15.679 13.916 1.00 0.00 C ATOM 0 H LEU A 81 -15.420 15.248 12.041 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.726 14.435 14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.366 17.211 13.584 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.458 16.849 15.039 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.573 16.078 12.246 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.966 17.935 12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.650 18.511 12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.712 18.405 13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.390 15.703 13.328 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.114 16.086 14.909 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.654 14.649 14.007 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.679 15.891 14.352 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.958 16.088 15.026 1.00 0.00 C ATOM 1215 C HIS A 82 -19.475 14.775 15.605 1.00 0.00 C ATOM 1216 O HIS A 82 -19.872 14.712 16.768 1.00 0.00 O ATOM 1217 CB HIS A 82 -19.985 16.671 14.055 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.313 16.955 14.687 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.434 16.185 14.459 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.695 17.929 15.545 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.449 16.676 15.148 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -23.027 17.734 15.816 1.00 0.00 N ATOM 0 H HIS A 82 -17.644 16.252 13.399 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.805 16.790 15.846 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.589 17.594 13.631 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.127 15.975 13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.069 18.714 15.943 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.453 16.279 15.162 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.598 18.312 16.433 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.468 13.729 14.785 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.936 12.417 15.216 1.00 0.00 C ATOM 1232 C ALA A 83 -19.258 11.992 16.514 1.00 0.00 C ATOM 1233 O ALA A 83 -19.875 11.354 17.366 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.688 11.384 14.126 1.00 0.00 C ATOM 0 H ALA A 83 -19.143 13.765 13.819 1.00 0.00 H new ATOM 0 HA ALA A 83 -21.008 12.484 15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -20.042 10.409 14.461 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.224 11.673 13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.620 11.329 13.913 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.985 12.350 16.656 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.224 12.003 17.850 1.00 0.00 C ATOM 1242 C GLN A 84 -17.618 12.893 19.024 1.00 0.00 C ATOM 1243 O GLN A 84 -17.900 12.405 20.120 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.724 12.130 17.579 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.189 11.083 16.615 1.00 0.00 C ATOM 1246 CD GLN A 84 -14.237 10.110 17.281 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -13.056 10.406 17.465 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.746 8.939 17.646 1.00 0.00 N ATOM 0 H GLN A 84 -17.460 12.879 15.960 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.453 10.969 18.109 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.519 13.122 17.176 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.185 12.052 18.523 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.024 10.531 16.184 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.677 11.581 15.792 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.731 8.735 17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.152 8.244 18.098 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.635 14.200 18.789 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.994 15.160 19.828 1.00 0.00 C ATOM 1259 C LEU A 85 -19.405 14.899 20.346 1.00 0.00 C ATOM 1260 O LEU A 85 -19.720 15.202 21.497 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.893 16.588 19.288 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.518 17.249 19.392 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.487 18.544 18.596 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.159 17.507 20.848 1.00 0.00 C ATOM 0 H LEU A 85 -17.405 14.620 17.888 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.295 15.041 20.656 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.192 16.581 18.240 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.614 17.208 19.821 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.777 16.570 18.971 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.501 19.000 18.682 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.699 18.332 17.548 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.239 19.229 18.987 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.177 17.978 20.903 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.903 18.166 21.295 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.139 16.562 21.391 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.249 14.333 19.490 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.626 14.030 19.861 1.00 0.00 C ATOM 1278 C ARG A 86 -21.675 12.923 20.910 1.00 0.00 C ATOM 1279 O ARG A 86 -22.620 12.839 21.695 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.430 13.614 18.628 1.00 0.00 C ATOM 1281 CG ARG A 86 -23.032 14.786 17.870 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.391 14.432 17.286 1.00 0.00 C ATOM 1283 NE ARG A 86 -25.365 15.503 17.480 1.00 0.00 N ATOM 1284 CZ ARG A 86 -25.895 15.809 18.659 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.547 15.130 19.743 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -26.776 16.797 18.755 1.00 0.00 N ATOM 0 H ARG A 86 -20.003 14.075 18.534 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.067 14.931 20.287 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.783 13.051 17.955 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.231 12.942 18.937 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.134 15.640 18.539 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.358 15.088 17.069 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.286 14.226 16.221 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.759 13.518 17.752 1.00 0.00 H new ATOM 0 HE ARG A 86 -25.654 16.045 16.666 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -24.870 14.370 19.673 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -25.956 15.368 20.647 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -27.046 17.322 17.923 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -27.183 17.031 19.661 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.651 12.077 20.918 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.576 10.975 21.871 1.00 0.00 C ATOM 1302 C ASP A 87 -19.926 11.427 23.174 1.00 0.00 C ATOM 1303 O ASP A 87 -20.294 10.969 24.256 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.791 9.807 21.272 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.685 8.646 20.885 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.824 8.897 20.441 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -20.245 7.485 21.027 1.00 0.00 O ATOM 0 H ASP A 87 -19.861 12.133 20.275 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.592 10.645 22.089 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.247 10.152 20.393 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.048 9.465 21.992 1.00 0.00 H new ATOM 1312 N LEU A 88 -18.955 12.328 23.064 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.252 12.842 24.234 1.00 0.00 C ATOM 1314 C LEU A 88 -19.221 13.521 25.197 1.00 0.00 C ATOM 1315 O LEU A 88 -19.261 13.200 26.385 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.164 13.828 23.807 1.00 0.00 C ATOM 1317 CG LEU A 88 -15.991 13.236 23.024 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.214 14.334 22.314 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.077 12.447 23.950 1.00 0.00 C ATOM 0 H LEU A 88 -18.637 12.717 22.176 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.789 12.000 24.748 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.625 14.606 23.199 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.771 14.313 24.700 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.388 12.556 22.271 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.383 13.894 21.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.873 14.857 21.621 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.828 15.040 23.049 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.248 12.033 23.376 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.688 13.106 24.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.640 11.636 24.412 1.00 0.00 H new ATOM 1331 N THR A 89 -20.002 14.462 24.676 1.00 0.00 N ATOM 1332 CA THR A 89 -20.972 15.186 25.488 1.00 0.00 C ATOM 1333 C THR A 89 -22.115 14.276 25.922 1.00 0.00 C ATOM 1334 O THR A 89 -22.638 14.406 27.029 1.00 0.00 O ATOM 1335 CB THR A 89 -21.553 16.393 24.727 1.00 0.00 C ATOM 1336 OG1 THR A 89 -21.993 15.986 23.426 1.00 0.00 O ATOM 1337 CG2 THR A 89 -20.517 17.499 24.594 1.00 0.00 C ATOM 0 H THR A 89 -19.982 14.741 23.695 1.00 0.00 H new ATOM 0 HA THR A 89 -20.441 15.543 26.370 1.00 0.00 H new ATOM 0 HB THR A 89 -22.401 16.778 25.294 1.00 0.00 H new ATOM 0 HG1 THR A 89 -22.362 16.758 22.949 1.00 0.00 H new ATOM 0 HG21 THR A 89 -20.950 18.340 24.053 1.00 0.00 H new ATOM 0 HG22 THR A 89 -20.205 17.827 25.586 1.00 0.00 H new ATOM 0 HG23 THR A 89 -19.652 17.123 24.048 1.00 0.00 H new ATOM 1345 N SER A 90 -22.497 13.354 25.045 1.00 0.00 N ATOM 1346 CA SER A 90 -23.581 12.423 25.337 1.00 0.00 C ATOM 1347 C SER A 90 -23.326 11.688 26.649 1.00 0.00 C ATOM 1348 O SER A 90 -24.222 11.558 27.484 1.00 0.00 O ATOM 1349 CB SER A 90 -23.737 11.415 24.197 1.00 0.00 C ATOM 1350 OG SER A 90 -24.594 10.350 24.571 1.00 0.00 O ATOM 0 H SER A 90 -22.072 13.231 24.126 1.00 0.00 H new ATOM 0 HA SER A 90 -24.503 12.996 25.434 1.00 0.00 H new ATOM 0 HB2 SER A 90 -24.138 11.917 23.316 1.00 0.00 H new ATOM 0 HB3 SER A 90 -22.760 11.019 23.921 1.00 0.00 H new ATOM 0 HG SER A 90 -24.678 9.720 23.825 1.00 0.00 H new ATOM 1356 N SER A 91 -22.099 11.209 26.824 1.00 0.00 N ATOM 1357 CA SER A 91 -21.726 10.484 28.033 1.00 0.00 C ATOM 1358 C SER A 91 -22.581 9.231 28.200 1.00 0.00 C ATOM 1359 O SER A 91 -23.351 8.869 27.311 1.00 0.00 O ATOM 1360 CB SER A 91 -21.876 11.384 29.260 1.00 0.00 C ATOM 1361 OG SER A 91 -21.278 12.650 29.040 1.00 0.00 O ATOM 0 H SER A 91 -21.346 11.310 26.144 1.00 0.00 H new ATOM 0 HA SER A 91 -20.683 10.182 27.939 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.933 11.513 29.493 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.415 10.906 30.124 1.00 0.00 H new ATOM 0 HG SER A 91 -21.812 13.156 28.392 1.00 0.00 H new ATOM 1367 N SER A 92 -22.439 8.574 29.347 1.00 0.00 N ATOM 1368 CA SER A 92 -23.195 7.360 29.630 1.00 0.00 C ATOM 1369 C SER A 92 -24.277 7.624 30.673 1.00 0.00 C ATOM 1370 O SER A 92 -24.066 8.375 31.624 1.00 0.00 O ATOM 1371 CB SER A 92 -22.259 6.254 30.120 1.00 0.00 C ATOM 1372 OG SER A 92 -22.971 5.266 30.846 1.00 0.00 O ATOM 0 H SER A 92 -21.808 8.862 30.095 1.00 0.00 H new ATOM 0 HA SER A 92 -23.676 7.038 28.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 -21.758 5.793 29.268 1.00 0.00 H new ATOM 0 HB3 SER A 92 -21.482 6.684 30.752 1.00 0.00 H new ATOM 0 HG SER A 92 -22.350 4.570 31.147 1.00 0.00 H new TER 1378 SER A 92