USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 50 THR OG1 : rot 180:sc= 0.278 USER MOD Set 1.2: A 52 SER OG : rot -83:sc= 0.664 USER MOD Set 2.1: A 40 SER OG : rot 71:sc= 0.228 USER MOD Set 2.2: A 48 ASN : amide:sc= -0.757 X(o=-0.53,f=-0.53) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -39:sc= -0.425! USER MOD Single : A 2ALYS NZ :NH3+ 140:sc= -0.549 (180deg=-2.13!) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= -2.03! (180deg=-3.15!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -130:sc= -0.58 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -2.76! USER MOD Single : A 18 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-0.033) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -74:sc= 0.488 USER MOD Single : A 49 SER OG : rot 180:sc= -0.297 USER MOD Single : A 54 SER OG : rot 49:sc= 0.739 USER MOD Single : A 56 SER OG : rot -45:sc= 0.108 USER MOD Single : A 129 SER OG : rot 180:sc= 0.13 USER MOD Single : A 130 THR OG1 : rot 90:sc= 0.119 USER MOD Single : A 139 SER OG : rot 180:sc=-0.00545 USER MOD Single : A 140 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-7.3!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -129:sc= 1.28 (180deg=-0.553) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.904 12.565 3.707 1.00 0.00 N ATOM 2 CA GLY A 1 6.439 12.384 3.510 1.00 0.00 C ATOM 3 C GLY A 1 5.822 11.467 4.548 1.00 0.00 C ATOM 4 O GLY A 1 4.798 11.798 5.147 1.00 0.00 O ATOM 0 H1 GLY A 1 8.277 13.200 2.973 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.080 12.979 4.645 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.380 11.642 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.947 13.356 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.257 11.976 2.516 1.00 0.00 H new ATOM 10 N SER A 2 6.443 10.311 4.761 1.00 0.00 N ATOM 11 CA SER A 2 5.943 9.345 5.732 1.00 0.00 C ATOM 12 C SER A 2 7.002 8.297 6.061 1.00 0.00 C ATOM 13 O SER A 2 8.164 8.429 5.676 1.00 0.00 O ATOM 14 CB SER A 2 4.689 8.655 5.193 1.00 0.00 C ATOM 15 OG SER A 2 3.872 9.564 4.478 1.00 0.00 O ATOM 0 H SER A 2 7.292 10.021 4.275 1.00 0.00 H new ATOM 0 HA SER A 2 5.696 9.886 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.976 7.830 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.123 8.226 6.020 1.00 0.00 H new ATOM 0 HG SER A 2 3.875 10.433 4.932 1.00 0.00 H new ATOM 21 N LYS A 2A 6.584 7.253 6.768 1.00 0.00 N ATOM 22 CA LYS A 2A 7.485 6.170 7.147 1.00 0.00 C ATOM 23 C LYS A 2A 7.309 4.986 6.205 1.00 0.00 C ATOM 24 O LYS A 2A 6.543 4.064 6.486 1.00 0.00 O ATOM 25 CB LYS A 2A 7.240 5.724 8.597 1.00 0.00 C ATOM 26 CG LYS A 2A 6.194 6.544 9.341 1.00 0.00 C ATOM 27 CD LYS A 2A 4.787 6.040 9.059 1.00 0.00 C ATOM 28 CE LYS A 2A 3.737 7.079 9.422 1.00 0.00 C ATOM 29 NZ LYS A 2A 3.076 7.645 8.214 1.00 0.00 N ATOM 0 H LYS A 2A 5.624 7.133 7.091 1.00 0.00 H new ATOM 0 HA LYS A 2A 8.507 6.542 7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 6.930 4.679 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.181 5.777 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 6.390 6.499 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.273 7.590 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.696 5.784 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 4.607 5.126 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 2.986 6.625 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 4.203 7.883 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 2.059 7.763 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 3.497 8.569 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 3.210 6.999 7.410 1.00 0.00 H new ATOM 43 N LEU A 2B 8.014 5.024 5.081 1.00 0.00 N ATOM 44 CA LEU A 2B 7.923 3.959 4.092 1.00 0.00 C ATOM 45 C LEU A 2B 9.293 3.356 3.786 1.00 0.00 C ATOM 46 O LEU A 2B 9.451 2.652 2.790 1.00 0.00 O ATOM 47 CB LEU A 2B 7.288 4.495 2.809 1.00 0.00 C ATOM 48 CG LEU A 2B 5.762 4.588 2.836 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.301 5.393 4.041 1.00 0.00 C ATOM 50 CD2 LEU A 2B 5.240 5.207 1.547 1.00 0.00 C ATOM 0 H LEU A 2B 8.653 5.779 4.833 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.298 3.168 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.694 5.486 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.584 3.853 1.979 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.357 3.580 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.212 5.450 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.643 4.908 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 5.717 6.399 3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.152 5.265 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 5.653 6.209 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.541 4.591 0.700 1.00 0.00 H new ATOM 62 N GLU A 3 10.274 3.637 4.654 1.00 0.00 N ATOM 63 CA GLU A 3 11.647 3.131 4.504 1.00 0.00 C ATOM 64 C GLU A 3 11.971 2.725 3.061 1.00 0.00 C ATOM 65 O GLU A 3 12.473 3.534 2.281 1.00 0.00 O ATOM 66 CB GLU A 3 11.894 1.951 5.454 1.00 0.00 C ATOM 67 CG GLU A 3 10.657 1.113 5.734 1.00 0.00 C ATOM 68 CD GLU A 3 10.036 1.423 7.082 1.00 0.00 C ATOM 69 OE1 GLU A 3 10.451 0.802 8.083 1.00 0.00 O ATOM 70 OE2 GLU A 3 9.136 2.287 7.137 1.00 0.00 O ATOM 0 H GLU A 3 10.139 4.221 5.480 1.00 0.00 H new ATOM 0 HA GLU A 3 12.315 3.952 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.666 1.310 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.283 2.333 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.920 1.287 4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.922 0.056 5.694 1.00 0.00 H new ATOM 77 N GLY A 4 11.682 1.471 2.714 1.00 0.00 N ATOM 78 CA GLY A 4 11.951 0.993 1.370 1.00 0.00 C ATOM 79 C GLY A 4 10.694 0.881 0.530 1.00 0.00 C ATOM 80 O GLY A 4 9.587 0.802 1.065 1.00 0.00 O ATOM 0 H GLY A 4 11.267 0.780 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.652 1.670 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.435 0.018 1.425 1.00 0.00 H new ATOM 84 N LYS A 5 10.863 0.876 -0.788 1.00 0.00 N ATOM 85 CA LYS A 5 9.732 0.775 -1.704 1.00 0.00 C ATOM 86 C LYS A 5 10.205 0.471 -3.123 1.00 0.00 C ATOM 87 O LYS A 5 11.295 0.877 -3.524 1.00 0.00 O ATOM 88 CB LYS A 5 8.924 2.072 -1.687 1.00 0.00 C ATOM 89 CG LYS A 5 9.703 3.273 -2.191 1.00 0.00 C ATOM 90 CD LYS A 5 10.486 3.942 -1.073 1.00 0.00 C ATOM 91 CE LYS A 5 9.653 4.994 -0.358 1.00 0.00 C ATOM 92 NZ LYS A 5 10.280 6.343 -0.434 1.00 0.00 N ATOM 0 H LYS A 5 11.772 0.941 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 5 9.096 -0.046 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.032 1.944 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.586 2.268 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.388 2.959 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.016 3.993 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.814 3.189 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.384 4.405 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.657 5.031 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.528 4.710 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.984 6.910 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.315 6.245 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.979 6.817 -1.309 1.00 0.00 H new ATOM 106 N THR A 6 9.379 -0.249 -3.876 1.00 0.00 N ATOM 107 CA THR A 6 9.717 -0.611 -5.250 1.00 0.00 C ATOM 108 C THR A 6 9.118 0.381 -6.243 1.00 0.00 C ATOM 109 O THR A 6 9.810 0.872 -7.136 1.00 0.00 O ATOM 110 CB THR A 6 9.227 -2.026 -5.564 1.00 0.00 C ATOM 111 OG1 THR A 6 9.564 -2.389 -6.891 1.00 0.00 O ATOM 112 CG2 THR A 6 7.731 -2.195 -5.407 1.00 0.00 C ATOM 0 H THR A 6 8.472 -0.593 -3.560 1.00 0.00 H new ATOM 0 HA THR A 6 10.802 -0.580 -5.348 1.00 0.00 H new ATOM 0 HB THR A 6 9.724 -2.670 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.244 -3.297 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.454 -3.222 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.445 -1.971 -4.379 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.215 -1.514 -6.083 1.00 0.00 H new ATOM 120 N CYS A 7 7.831 0.672 -6.084 1.00 0.00 N ATOM 121 CA CYS A 7 7.142 1.608 -6.969 1.00 0.00 C ATOM 122 C CYS A 7 7.257 1.163 -8.426 1.00 0.00 C ATOM 123 O CYS A 7 7.640 1.946 -9.295 1.00 0.00 O ATOM 124 CB CYS A 7 7.714 3.024 -6.813 1.00 0.00 C ATOM 125 SG CYS A 7 8.595 3.325 -5.244 1.00 0.00 S ATOM 0 H CYS A 7 7.243 0.274 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 7 6.089 1.619 -6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.397 3.218 -7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.898 3.742 -6.899 1.00 0.00 H new ATOM 130 N GLY A 8 6.927 -0.098 -8.688 1.00 0.00 N ATOM 131 CA GLY A 8 7.009 -0.614 -10.042 1.00 0.00 C ATOM 132 C GLY A 8 5.953 -1.664 -10.339 1.00 0.00 C ATOM 133 O GLY A 8 5.004 -1.399 -11.078 1.00 0.00 O ATOM 0 H GLY A 8 6.606 -0.769 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.903 0.211 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.997 -1.045 -10.202 1.00 0.00 H new ATOM 137 N PRO A 9 6.093 -2.877 -9.778 1.00 0.00 N ATOM 138 CA PRO A 9 5.135 -3.965 -10.003 1.00 0.00 C ATOM 139 C PRO A 9 3.741 -3.626 -9.476 1.00 0.00 C ATOM 140 O PRO A 9 2.862 -3.226 -10.239 1.00 0.00 O ATOM 141 CB PRO A 9 5.738 -5.150 -9.237 1.00 0.00 C ATOM 142 CG PRO A 9 6.685 -4.545 -8.256 1.00 0.00 C ATOM 143 CD PRO A 9 7.195 -3.281 -8.888 1.00 0.00 C ATOM 0 HA PRO A 9 4.993 -4.168 -11.064 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.963 -5.726 -8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.254 -5.833 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.184 -4.333 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.505 -5.228 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.410 -2.516 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.117 -3.453 -9.443 1.00 0.00 H new ATOM 151 N SER A 10 3.546 -3.781 -8.170 1.00 0.00 N ATOM 152 CA SER A 10 2.262 -3.484 -7.548 1.00 0.00 C ATOM 153 C SER A 10 2.431 -2.427 -6.465 1.00 0.00 C ATOM 154 O SER A 10 2.510 -2.746 -5.279 1.00 0.00 O ATOM 155 CB SER A 10 1.654 -4.754 -6.951 1.00 0.00 C ATOM 156 OG SER A 10 1.803 -5.855 -7.831 1.00 0.00 O ATOM 0 H SER A 10 4.262 -4.111 -7.522 1.00 0.00 H new ATOM 0 HA SER A 10 1.588 -3.098 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.135 -4.978 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.596 -4.591 -6.743 1.00 0.00 H new ATOM 0 HG SER A 10 1.408 -6.654 -7.425 1.00 0.00 H new ATOM 162 N SER A 11 2.497 -1.167 -6.882 1.00 0.00 N ATOM 163 CA SER A 11 2.670 -0.067 -5.944 1.00 0.00 C ATOM 164 C SER A 11 1.848 1.151 -6.353 1.00 0.00 C ATOM 165 O SER A 11 1.413 1.269 -7.498 1.00 0.00 O ATOM 166 CB SER A 11 4.148 0.313 -5.846 1.00 0.00 C ATOM 167 OG SER A 11 4.880 -0.666 -5.129 1.00 0.00 O ATOM 0 H SER A 11 2.433 -0.884 -7.860 1.00 0.00 H new ATOM 0 HA SER A 11 2.315 -0.402 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.566 0.423 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.246 1.279 -5.352 1.00 0.00 H new ATOM 0 HG SER A 11 5.418 -0.230 -4.436 1.00 0.00 H new ATOM 173 N PHE A 12 1.646 2.055 -5.400 1.00 0.00 N ATOM 174 CA PHE A 12 0.882 3.273 -5.640 1.00 0.00 C ATOM 175 C PHE A 12 1.645 4.494 -5.130 1.00 0.00 C ATOM 176 O PHE A 12 1.994 4.570 -3.953 1.00 0.00 O ATOM 177 CB PHE A 12 -0.487 3.180 -4.956 1.00 0.00 C ATOM 178 CG PHE A 12 -1.182 4.505 -4.802 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.744 5.140 -5.897 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.268 5.115 -3.561 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.381 6.359 -5.757 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.903 6.334 -3.415 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.460 6.956 -4.514 1.00 0.00 C ATOM 0 H PHE A 12 2.003 1.965 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 12 0.733 3.383 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.126 2.511 -5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.360 2.730 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.684 4.678 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.834 4.632 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.816 6.844 -6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.963 6.799 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.957 7.908 -4.402 1.00 0.00 H new ATOM 193 N SER A 13 1.899 5.448 -6.018 1.00 0.00 N ATOM 194 CA SER A 13 2.616 6.661 -5.643 1.00 0.00 C ATOM 195 C SER A 13 1.824 7.456 -4.610 1.00 0.00 C ATOM 196 O SER A 13 0.624 7.678 -4.772 1.00 0.00 O ATOM 197 CB SER A 13 2.889 7.522 -6.878 1.00 0.00 C ATOM 198 OG SER A 13 3.161 8.865 -6.516 1.00 0.00 O ATOM 0 H SER A 13 1.621 5.406 -6.998 1.00 0.00 H new ATOM 0 HA SER A 13 3.569 6.372 -5.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.735 7.113 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.027 7.490 -7.545 1.00 0.00 H new ATOM 0 HG SER A 13 3.333 9.393 -7.323 1.00 0.00 H new ATOM 204 N CYS A 14 2.500 7.881 -3.545 1.00 0.00 N ATOM 205 CA CYS A 14 1.853 8.648 -2.486 1.00 0.00 C ATOM 206 C CYS A 14 1.520 10.062 -2.965 1.00 0.00 C ATOM 207 O CYS A 14 2.415 10.867 -3.222 1.00 0.00 O ATOM 208 CB CYS A 14 2.750 8.710 -1.244 1.00 0.00 C ATOM 209 SG CYS A 14 2.383 7.455 0.031 1.00 0.00 S ATOM 0 H CYS A 14 3.494 7.707 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 14 0.923 8.144 -2.223 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.788 8.596 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.658 9.700 -0.796 1.00 0.00 H new ATOM 214 N PRO A 15 0.219 10.378 -3.093 1.00 0.00 N ATOM 215 CA PRO A 15 -0.240 11.696 -3.546 1.00 0.00 C ATOM 216 C PRO A 15 0.281 12.834 -2.675 1.00 0.00 C ATOM 217 O PRO A 15 0.266 12.746 -1.447 1.00 0.00 O ATOM 218 CB PRO A 15 -1.766 11.607 -3.435 1.00 0.00 C ATOM 219 CG PRO A 15 -2.074 10.151 -3.455 1.00 0.00 C ATOM 220 CD PRO A 15 -0.904 9.471 -2.809 1.00 0.00 C ATOM 0 HA PRO A 15 0.120 11.918 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.122 12.072 -2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.252 12.124 -4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.996 9.940 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.216 9.796 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.056 9.343 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.735 8.479 -3.228 1.00 0.00 H new ATOM 228 N GLY A 16 0.732 13.907 -3.319 1.00 0.00 N ATOM 229 CA GLY A 16 1.242 15.054 -2.589 1.00 0.00 C ATOM 230 C GLY A 16 2.725 14.954 -2.287 1.00 0.00 C ATOM 231 O GLY A 16 3.449 15.946 -2.372 1.00 0.00 O ATOM 0 H GLY A 16 0.753 14.002 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.055 15.958 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.692 15.155 -1.653 1.00 0.00 H new ATOM 235 N THR A 17 3.178 13.759 -1.926 1.00 0.00 N ATOM 236 CA THR A 17 4.583 13.540 -1.603 1.00 0.00 C ATOM 237 C THR A 17 5.330 12.918 -2.776 1.00 0.00 C ATOM 238 O THR A 17 4.723 12.413 -3.720 1.00 0.00 O ATOM 239 CB THR A 17 4.708 12.636 -0.376 1.00 0.00 C ATOM 240 OG1 THR A 17 3.836 11.525 -0.479 1.00 0.00 O ATOM 241 CG2 THR A 17 4.396 13.347 0.923 1.00 0.00 C ATOM 0 H THR A 17 2.593 12.927 -1.850 1.00 0.00 H new ATOM 0 HA THR A 17 5.030 14.510 -1.387 1.00 0.00 H new ATOM 0 HB THR A 17 5.750 12.317 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.688 11.142 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.503 12.650 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.086 14.180 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.374 13.724 0.895 1.00 0.00 H new ATOM 249 N HIS A 18 6.655 12.948 -2.695 1.00 0.00 N ATOM 250 CA HIS A 18 7.506 12.376 -3.732 1.00 0.00 C ATOM 251 C HIS A 18 7.795 10.906 -3.433 1.00 0.00 C ATOM 252 O HIS A 18 8.698 10.307 -4.017 1.00 0.00 O ATOM 253 CB HIS A 18 8.818 13.155 -3.822 1.00 0.00 C ATOM 254 CG HIS A 18 9.527 13.274 -2.508 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.538 12.432 -2.101 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.346 14.158 -1.494 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.930 12.821 -0.880 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.239 13.865 -0.467 1.00 0.00 N ATOM 0 H HIS A 18 7.166 13.365 -1.917 1.00 0.00 H new ATOM 0 HA HIS A 18 6.984 12.444 -4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.476 12.664 -4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.614 14.153 -4.209 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.624 14.961 -1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.711 12.341 -0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.338 14.356 0.421 1.00 0.00 H new ATOM 266 N VAL A 19 7.026 10.339 -2.508 1.00 0.00 N ATOM 267 CA VAL A 19 7.190 8.951 -2.107 1.00 0.00 C ATOM 268 C VAL A 19 6.183 8.048 -2.814 1.00 0.00 C ATOM 269 O VAL A 19 5.149 8.511 -3.296 1.00 0.00 O ATOM 270 CB VAL A 19 7.019 8.808 -0.581 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.669 9.357 -0.139 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.184 7.358 -0.150 1.00 0.00 C ATOM 0 H VAL A 19 6.276 10.828 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 19 8.196 8.643 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 19 7.800 9.393 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.567 9.247 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.601 10.412 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.871 8.805 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.059 7.283 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.433 6.743 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.179 7.008 -0.425 1.00 0.00 H new ATOM 282 N CYS A 20 6.491 6.755 -2.867 1.00 0.00 N ATOM 283 CA CYS A 20 5.611 5.782 -3.509 1.00 0.00 C ATOM 284 C CYS A 20 5.246 4.664 -2.538 1.00 0.00 C ATOM 285 O CYS A 20 6.115 3.944 -2.048 1.00 0.00 O ATOM 286 CB CYS A 20 6.263 5.196 -4.767 1.00 0.00 C ATOM 287 SG CYS A 20 8.086 5.229 -4.764 1.00 0.00 S ATOM 0 H CYS A 20 7.343 6.356 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 20 4.699 6.301 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.932 4.164 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.904 5.747 -5.636 1.00 0.00 H new ATOM 292 N VAL A 21 3.952 4.532 -2.260 1.00 0.00 N ATOM 293 CA VAL A 21 3.466 3.510 -1.341 1.00 0.00 C ATOM 294 C VAL A 21 2.984 2.267 -2.092 1.00 0.00 C ATOM 295 O VAL A 21 2.069 2.341 -2.910 1.00 0.00 O ATOM 296 CB VAL A 21 2.321 4.055 -0.462 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.239 4.688 -1.322 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.738 2.958 0.417 1.00 0.00 C ATOM 0 H VAL A 21 3.221 5.121 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 21 4.304 3.230 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 21 2.734 4.824 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.441 5.066 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.665 5.511 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.834 3.941 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.933 3.369 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.345 2.158 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.517 2.560 1.067 1.00 0.00 H new ATOM 308 N PRO A 22 3.597 1.103 -1.819 1.00 0.00 N ATOM 309 CA PRO A 22 3.227 -0.159 -2.469 1.00 0.00 C ATOM 310 C PRO A 22 1.759 -0.513 -2.253 1.00 0.00 C ATOM 311 O PRO A 22 1.102 0.038 -1.372 1.00 0.00 O ATOM 312 CB PRO A 22 4.126 -1.197 -1.793 1.00 0.00 C ATOM 313 CG PRO A 22 5.257 -0.417 -1.217 1.00 0.00 C ATOM 314 CD PRO A 22 4.694 0.926 -0.856 1.00 0.00 C ATOM 0 HA PRO A 22 3.356 -0.106 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.586 -1.740 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.482 -1.936 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.668 -0.916 -0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.069 -0.318 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.334 0.948 0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.442 1.714 -0.949 1.00 0.00 H new ATOM 322 N GLU A 23 1.251 -1.438 -3.064 1.00 0.00 N ATOM 323 CA GLU A 23 -0.140 -1.866 -2.960 1.00 0.00 C ATOM 324 C GLU A 23 -0.430 -2.464 -1.588 1.00 0.00 C ATOM 325 O GLU A 23 -1.387 -2.077 -0.925 1.00 0.00 O ATOM 326 CB GLU A 23 -0.468 -2.879 -4.058 1.00 0.00 C ATOM 327 CG GLU A 23 -1.740 -2.553 -4.822 1.00 0.00 C ATOM 328 CD GLU A 23 -2.014 -3.534 -5.944 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.560 -4.621 -5.663 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.681 -3.216 -7.105 1.00 0.00 O ATOM 0 H GLU A 23 1.782 -1.905 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.773 -0.988 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.366 -2.926 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.565 -3.869 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.584 -2.551 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.664 -1.547 -5.235 1.00 0.00 H new ATOM 337 N ARG A 24 0.405 -3.404 -1.158 1.00 0.00 N ATOM 338 CA ARG A 24 0.226 -4.036 0.146 1.00 0.00 C ATOM 339 C ARG A 24 0.161 -2.977 1.246 1.00 0.00 C ATOM 340 O ARG A 24 -0.393 -3.213 2.318 1.00 0.00 O ATOM 341 CB ARG A 24 1.370 -5.032 0.411 1.00 0.00 C ATOM 342 CG ARG A 24 1.720 -5.234 1.884 1.00 0.00 C ATOM 343 CD ARG A 24 0.610 -5.947 2.640 1.00 0.00 C ATOM 344 NE ARG A 24 1.109 -6.609 3.844 1.00 0.00 N ATOM 345 CZ ARG A 24 0.400 -6.763 4.961 1.00 0.00 C ATOM 346 NH1 ARG A 24 -0.844 -6.306 5.040 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.938 -7.378 6.006 1.00 0.00 N ATOM 0 H ARG A 24 1.207 -3.744 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.716 -4.584 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.099 -5.997 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.261 -4.688 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.641 -5.812 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.911 -4.266 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.162 -5.228 2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.142 -6.684 1.988 1.00 0.00 H new ATOM 0 HE ARG A 24 2.060 -6.976 3.828 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.265 -5.832 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.379 -6.429 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.893 -7.732 5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.397 -7.497 6.862 1.00 0.00 H new ATOM 361 N TRP A 25 0.739 -1.812 0.975 1.00 0.00 N ATOM 362 CA TRP A 25 0.754 -0.728 1.944 1.00 0.00 C ATOM 363 C TRP A 25 -0.452 0.197 1.762 1.00 0.00 C ATOM 364 O TRP A 25 -0.474 1.305 2.296 1.00 0.00 O ATOM 365 CB TRP A 25 2.053 0.074 1.821 1.00 0.00 C ATOM 366 CG TRP A 25 3.305 -0.759 1.884 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.422 -2.104 1.666 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.626 -0.289 2.176 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.731 -2.494 1.805 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.490 -1.399 2.117 1.00 0.00 C ATOM 371 CE3 TRP A 25 5.162 0.964 2.481 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.858 -1.293 2.350 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.521 1.069 2.711 1.00 0.00 C ATOM 374 CH2 TRP A 25 7.356 -0.053 2.644 1.00 0.00 C ATOM 0 H TRP A 25 1.202 -1.596 0.092 1.00 0.00 H new ATOM 0 HA TRP A 25 0.697 -1.168 2.940 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.041 0.620 0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.084 0.817 2.618 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.603 -2.764 1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.081 -3.446 1.694 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.526 1.835 2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.503 -2.158 2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.946 2.033 2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.414 0.063 2.828 1.00 0.00 H new ATOM 385 N LEU A 26 -1.454 -0.260 1.011 1.00 0.00 N ATOM 386 CA LEU A 26 -2.656 0.534 0.778 1.00 0.00 C ATOM 387 C LEU A 26 -3.660 0.330 1.907 1.00 0.00 C ATOM 388 O LEU A 26 -3.935 1.246 2.682 1.00 0.00 O ATOM 389 CB LEU A 26 -3.298 0.159 -0.563 1.00 0.00 C ATOM 390 CG LEU A 26 -2.921 1.051 -1.750 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.449 1.441 -1.698 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.240 0.348 -3.061 1.00 0.00 C ATOM 0 H LEU A 26 -1.456 -1.173 0.556 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.367 1.585 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.023 -0.868 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.381 0.180 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.512 1.965 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.210 2.074 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.249 1.986 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.833 0.542 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.967 0.993 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.675 -0.582 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.307 0.128 -3.106 1.00 0.00 H new ATOM 404 N CYS A 27 -4.204 -0.880 1.991 1.00 0.00 N ATOM 405 CA CYS A 27 -5.181 -1.213 3.023 1.00 0.00 C ATOM 406 C CYS A 27 -4.566 -2.116 4.089 1.00 0.00 C ATOM 407 O CYS A 27 -5.224 -3.024 4.598 1.00 0.00 O ATOM 408 CB CYS A 27 -6.403 -1.906 2.410 1.00 0.00 C ATOM 409 SG CYS A 27 -6.797 -1.391 0.708 1.00 0.00 S ATOM 0 H CYS A 27 -3.985 -1.648 1.356 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.496 -0.280 3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.235 -2.983 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.269 -1.713 3.043 1.00 0.00 H new ATOM 414 N ASP A 28 -3.306 -1.865 4.425 1.00 0.00 N ATOM 415 CA ASP A 28 -2.617 -2.662 5.433 1.00 0.00 C ATOM 416 C ASP A 28 -3.203 -2.403 6.822 1.00 0.00 C ATOM 417 O ASP A 28 -3.009 -3.194 7.745 1.00 0.00 O ATOM 418 CB ASP A 28 -1.106 -2.369 5.402 1.00 0.00 C ATOM 419 CG ASP A 28 -0.570 -1.786 6.700 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.078 -0.730 7.133 1.00 0.00 O ATOM 421 OD2 ASP A 28 0.358 -2.386 7.281 1.00 0.00 O ATOM 0 H ASP A 28 -2.743 -1.119 4.016 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.764 -3.718 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.570 -3.292 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.896 -1.675 4.588 1.00 0.00 H new ATOM 426 N GLY A 29 -3.920 -1.290 6.963 1.00 0.00 N ATOM 427 CA GLY A 29 -4.521 -0.950 8.239 1.00 0.00 C ATOM 428 C GLY A 29 -3.932 0.309 8.847 1.00 0.00 C ATOM 429 O GLY A 29 -4.077 0.554 10.045 1.00 0.00 O ATOM 0 H GLY A 29 -4.094 -0.619 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.595 -0.816 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.386 -1.780 8.932 1.00 0.00 H new ATOM 433 N ASP A 30 -3.268 1.110 8.021 1.00 0.00 N ATOM 434 CA ASP A 30 -2.658 2.351 8.482 1.00 0.00 C ATOM 435 C ASP A 30 -2.434 3.303 7.313 1.00 0.00 C ATOM 436 O ASP A 30 -2.375 2.881 6.161 1.00 0.00 O ATOM 437 CB ASP A 30 -1.329 2.063 9.182 1.00 0.00 C ATOM 438 CG ASP A 30 -1.517 1.384 10.525 1.00 0.00 C ATOM 439 OD1 ASP A 30 -1.665 0.144 10.546 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.516 2.091 11.554 1.00 0.00 O ATOM 0 H ASP A 30 -3.139 0.921 7.027 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.337 2.823 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.714 1.431 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.786 2.998 9.323 1.00 0.00 H new ATOM 445 N LYS A 31 -2.311 4.589 7.615 1.00 0.00 N ATOM 446 CA LYS A 31 -2.095 5.592 6.580 1.00 0.00 C ATOM 447 C LYS A 31 -0.611 5.759 6.285 1.00 0.00 C ATOM 448 O LYS A 31 0.051 6.636 6.839 1.00 0.00 O ATOM 449 CB LYS A 31 -2.699 6.929 7.005 1.00 0.00 C ATOM 450 CG LYS A 31 -4.217 6.922 7.030 1.00 0.00 C ATOM 451 CD LYS A 31 -4.777 8.300 7.343 1.00 0.00 C ATOM 452 CE LYS A 31 -6.155 8.494 6.731 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.242 8.160 7.692 1.00 0.00 N ATOM 0 H LYS A 31 -2.357 4.961 8.564 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.589 5.252 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.328 7.189 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.357 7.707 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.596 6.585 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.566 6.208 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.836 8.433 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.099 9.064 6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.265 9.528 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.250 7.868 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.165 8.305 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.153 7.166 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.168 8.775 8.527 1.00 0.00 H new ATOM 467 N ASP A 32 -0.096 4.909 5.404 1.00 0.00 N ATOM 468 CA ASP A 32 1.310 4.957 5.026 1.00 0.00 C ATOM 469 C ASP A 32 1.656 6.305 4.405 1.00 0.00 C ATOM 470 O ASP A 32 2.689 6.893 4.718 1.00 0.00 O ATOM 471 CB ASP A 32 1.637 3.830 4.045 1.00 0.00 C ATOM 472 CG ASP A 32 2.035 2.548 4.748 1.00 0.00 C ATOM 473 OD1 ASP A 32 1.258 2.073 5.603 1.00 0.00 O ATOM 474 OD2 ASP A 32 3.124 2.017 4.443 1.00 0.00 O ATOM 0 H ASP A 32 -0.633 4.177 4.938 1.00 0.00 H new ATOM 0 HA ASP A 32 1.909 4.826 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.770 3.640 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.447 4.147 3.388 1.00 0.00 H new ATOM 479 N CYS A 33 0.784 6.794 3.528 1.00 0.00 N ATOM 480 CA CYS A 33 1.006 8.077 2.873 1.00 0.00 C ATOM 481 C CYS A 33 0.917 9.216 3.881 1.00 0.00 C ATOM 482 O CYS A 33 0.724 8.990 5.076 1.00 0.00 O ATOM 483 CB CYS A 33 -0.015 8.300 1.753 1.00 0.00 C ATOM 484 SG CYS A 33 0.355 7.442 0.182 1.00 0.00 S ATOM 0 H CYS A 33 -0.079 6.323 3.256 1.00 0.00 H new ATOM 0 HA CYS A 33 2.006 8.062 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.994 7.974 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.087 9.370 1.556 1.00 0.00 H new ATOM 489 N ALA A 34 1.060 10.440 3.390 1.00 0.00 N ATOM 490 CA ALA A 34 0.998 11.619 4.242 1.00 0.00 C ATOM 491 C ALA A 34 -0.427 11.886 4.716 1.00 0.00 C ATOM 492 O ALA A 34 -0.642 12.348 5.836 1.00 0.00 O ATOM 493 CB ALA A 34 1.537 12.827 3.496 1.00 0.00 C ATOM 0 H ALA A 34 1.220 10.642 2.403 1.00 0.00 H new ATOM 0 HA ALA A 34 1.615 11.434 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.487 13.705 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.573 12.645 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.938 12.999 2.602 1.00 0.00 H new ATOM 499 N ASP A 35 -1.397 11.600 3.854 1.00 0.00 N ATOM 500 CA ASP A 35 -2.801 11.820 4.186 1.00 0.00 C ATOM 501 C ASP A 35 -3.615 10.535 4.048 1.00 0.00 C ATOM 502 O ASP A 35 -4.797 10.574 3.705 1.00 0.00 O ATOM 503 CB ASP A 35 -3.392 12.909 3.288 1.00 0.00 C ATOM 504 CG ASP A 35 -4.216 13.916 4.066 1.00 0.00 C ATOM 505 OD1 ASP A 35 -4.896 13.508 5.031 1.00 0.00 O ATOM 506 OD2 ASP A 35 -4.180 15.113 3.712 1.00 0.00 O ATOM 0 H ASP A 35 -1.238 11.216 2.922 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.850 12.142 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.585 13.427 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.016 12.446 2.523 1.00 0.00 H new ATOM 511 N GLY A 36 -2.981 9.399 4.321 1.00 0.00 N ATOM 512 CA GLY A 36 -3.674 8.126 4.224 1.00 0.00 C ATOM 513 C GLY A 36 -4.140 7.818 2.817 1.00 0.00 C ATOM 514 O GLY A 36 -5.070 7.035 2.622 1.00 0.00 O ATOM 0 H GLY A 36 -2.004 9.336 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.012 7.330 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.534 8.134 4.893 1.00 0.00 H new ATOM 518 N ALA A 37 -3.490 8.426 1.831 1.00 0.00 N ATOM 519 CA ALA A 37 -3.843 8.202 0.436 1.00 0.00 C ATOM 520 C ALA A 37 -3.767 6.719 0.093 1.00 0.00 C ATOM 521 O ALA A 37 -4.566 6.211 -0.693 1.00 0.00 O ATOM 522 CB ALA A 37 -2.930 9.006 -0.470 1.00 0.00 C ATOM 0 H ALA A 37 -2.717 9.077 1.972 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.869 8.534 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.203 8.830 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.033 10.067 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.896 8.699 -0.310 1.00 0.00 H new ATOM 528 N ASP A 38 -2.806 6.028 0.699 1.00 0.00 N ATOM 529 CA ASP A 38 -2.630 4.599 0.470 1.00 0.00 C ATOM 530 C ASP A 38 -3.893 3.844 0.865 1.00 0.00 C ATOM 531 O ASP A 38 -4.325 2.922 0.173 1.00 0.00 O ATOM 532 CB ASP A 38 -1.436 4.075 1.271 1.00 0.00 C ATOM 533 CG ASP A 38 -1.651 4.185 2.768 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.789 5.322 3.265 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.682 3.134 3.443 1.00 0.00 O ATOM 0 H ASP A 38 -2.137 6.435 1.353 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.439 4.438 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.255 3.033 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.542 4.634 0.993 1.00 0.00 H new ATOM 540 N GLU A 39 -4.485 4.256 1.980 1.00 0.00 N ATOM 541 CA GLU A 39 -5.708 3.637 2.472 1.00 0.00 C ATOM 542 C GLU A 39 -6.924 4.196 1.739 1.00 0.00 C ATOM 543 O GLU A 39 -7.995 3.590 1.740 1.00 0.00 O ATOM 544 CB GLU A 39 -5.850 3.863 3.978 1.00 0.00 C ATOM 545 CG GLU A 39 -4.673 3.338 4.783 1.00 0.00 C ATOM 546 CD GLU A 39 -4.844 1.888 5.191 1.00 0.00 C ATOM 547 OE1 GLU A 39 -5.979 1.500 5.538 1.00 0.00 O ATOM 548 OE2 GLU A 39 -3.844 1.141 5.163 1.00 0.00 O ATOM 0 H GLU A 39 -4.136 5.018 2.561 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.651 2.565 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.963 4.930 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.763 3.379 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.761 3.441 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.547 3.950 5.676 1.00 0.00 H new ATOM 555 N SER A 40 -6.745 5.354 1.109 1.00 0.00 N ATOM 556 CA SER A 40 -7.819 5.996 0.364 1.00 0.00 C ATOM 557 C SER A 40 -8.067 5.274 -0.951 1.00 0.00 C ATOM 558 O SER A 40 -7.297 4.400 -1.349 1.00 0.00 O ATOM 559 CB SER A 40 -7.478 7.463 0.096 1.00 0.00 C ATOM 560 OG SER A 40 -7.571 8.234 1.281 1.00 0.00 O ATOM 0 H SER A 40 -5.863 5.866 1.101 1.00 0.00 H new ATOM 0 HA SER A 40 -8.727 5.947 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.469 7.536 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.156 7.865 -0.657 1.00 0.00 H new ATOM 0 HG SER A 40 -6.834 8.000 1.882 1.00 0.00 H new ATOM 566 N ILE A 41 -9.147 5.647 -1.623 1.00 0.00 N ATOM 567 CA ILE A 41 -9.499 5.039 -2.894 1.00 0.00 C ATOM 568 C ILE A 41 -8.528 5.467 -3.988 1.00 0.00 C ATOM 569 O ILE A 41 -8.308 4.741 -4.958 1.00 0.00 O ATOM 570 CB ILE A 41 -10.933 5.407 -3.306 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.386 4.522 -4.463 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.027 6.880 -3.672 1.00 0.00 C ATOM 573 CD1 ILE A 41 -11.777 3.124 -4.035 1.00 0.00 C ATOM 0 H ILE A 41 -9.794 6.369 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.437 3.958 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.598 5.234 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.235 4.992 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.583 4.458 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.051 7.119 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.741 7.487 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.357 7.091 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.088 2.550 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.924 2.635 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.601 3.178 -3.324 1.00 0.00 H new ATOM 585 N ALA A 42 -7.944 6.650 -3.818 1.00 0.00 N ATOM 586 CA ALA A 42 -6.986 7.183 -4.779 1.00 0.00 C ATOM 587 C ALA A 42 -5.951 6.129 -5.157 1.00 0.00 C ATOM 588 O ALA A 42 -5.406 6.141 -6.261 1.00 0.00 O ATOM 589 CB ALA A 42 -6.302 8.411 -4.199 1.00 0.00 C ATOM 0 H ALA A 42 -8.119 7.260 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.524 7.467 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.587 8.805 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.049 9.172 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.778 8.137 -3.283 1.00 0.00 H new ATOM 595 N ALA A 43 -5.689 5.219 -4.226 1.00 0.00 N ATOM 596 CA ALA A 43 -4.725 4.151 -4.444 1.00 0.00 C ATOM 597 C ALA A 43 -5.407 2.886 -4.947 1.00 0.00 C ATOM 598 O ALA A 43 -4.794 2.067 -5.632 1.00 0.00 O ATOM 599 CB ALA A 43 -3.975 3.863 -3.154 1.00 0.00 C ATOM 0 H ALA A 43 -6.134 5.201 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.020 4.478 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.255 3.063 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.450 4.762 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.682 3.558 -2.382 1.00 0.00 H new ATOM 605 N GLY A 44 -6.679 2.727 -4.597 1.00 0.00 N ATOM 606 CA GLY A 44 -7.421 1.555 -5.014 1.00 0.00 C ATOM 607 C GLY A 44 -7.661 0.596 -3.868 1.00 0.00 C ATOM 608 O GLY A 44 -7.500 -0.615 -4.017 1.00 0.00 O ATOM 0 H GLY A 44 -7.208 3.390 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.378 1.863 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.874 1.043 -5.806 1.00 0.00 H new ATOM 612 N CYS A 45 -8.041 1.142 -2.718 1.00 0.00 N ATOM 613 CA CYS A 45 -8.301 0.331 -1.535 1.00 0.00 C ATOM 614 C CYS A 45 -9.713 -0.264 -1.562 1.00 0.00 C ATOM 615 O CYS A 45 -10.118 -0.955 -0.629 1.00 0.00 O ATOM 616 CB CYS A 45 -8.105 1.170 -0.268 1.00 0.00 C ATOM 617 SG CYS A 45 -6.711 0.635 0.778 1.00 0.00 S ATOM 0 H CYS A 45 -8.176 2.144 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.591 -0.496 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.950 2.210 -0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.021 1.135 0.322 1.00 0.00 H new ATOM 622 N LEU A 46 -10.456 0.003 -2.636 1.00 0.00 N ATOM 623 CA LEU A 46 -11.819 -0.510 -2.783 1.00 0.00 C ATOM 624 C LEU A 46 -12.773 0.154 -1.796 1.00 0.00 C ATOM 625 O LEU A 46 -13.799 -0.420 -1.432 1.00 0.00 O ATOM 626 CB LEU A 46 -11.859 -2.031 -2.587 1.00 0.00 C ATOM 627 CG LEU A 46 -10.758 -2.832 -3.293 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.252 -2.107 -4.532 1.00 0.00 C ATOM 629 CD2 LEU A 46 -9.616 -3.121 -2.331 1.00 0.00 C ATOM 0 H LEU A 46 -10.136 0.573 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.142 -0.272 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.804 -2.241 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.825 -2.396 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.186 -3.780 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.473 -2.702 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.076 -1.962 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.844 -1.138 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.842 -3.690 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.197 -2.181 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.990 -3.699 -1.486 1.00 0.00 H new ATOM 641 N TYR A 47 -12.433 1.362 -1.366 1.00 0.00 N ATOM 642 CA TYR A 47 -13.268 2.096 -0.423 1.00 0.00 C ATOM 643 C TYR A 47 -12.721 3.499 -0.192 1.00 0.00 C ATOM 644 O TYR A 47 -11.761 3.906 -0.842 1.00 0.00 O ATOM 645 CB TYR A 47 -13.361 1.342 0.903 1.00 0.00 C ATOM 646 CG TYR A 47 -12.017 1.057 1.533 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.269 2.074 2.110 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.498 -0.231 1.548 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.039 1.816 2.685 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.270 -0.498 2.121 1.00 0.00 C ATOM 651 CZ TYR A 47 -9.544 0.528 2.688 1.00 0.00 C ATOM 652 OH TYR A 47 -8.320 0.265 3.262 1.00 0.00 O ATOM 0 H TYR A 47 -11.587 1.854 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.267 2.183 -0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.964 1.924 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -13.883 0.399 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.654 3.083 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.064 -1.037 1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.468 2.618 3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.880 -1.505 2.125 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.607 0.593 2.676 1.00 0.00 H new ATOM 662 N ASN A 48 -13.349 4.230 0.733 1.00 0.00 N ATOM 663 CA ASN A 48 -12.952 5.603 1.068 1.00 0.00 C ATOM 664 C ASN A 48 -13.750 6.607 0.244 1.00 0.00 C ATOM 665 O ASN A 48 -14.255 7.597 0.774 1.00 0.00 O ATOM 666 CB ASN A 48 -11.452 5.830 0.854 1.00 0.00 C ATOM 667 CG ASN A 48 -10.967 7.118 1.489 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.747 8.117 0.805 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.797 7.101 2.805 1.00 0.00 N ATOM 0 H ASN A 48 -14.146 3.889 1.271 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.168 5.753 2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.897 4.990 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.239 5.852 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.472 7.938 3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.992 6.251 3.333 1.00 0.00 H new ATOM 676 N SER A 49 -13.865 6.344 -1.053 1.00 0.00 N ATOM 677 CA SER A 49 -14.609 7.224 -1.946 1.00 0.00 C ATOM 678 C SER A 49 -16.076 7.293 -1.532 1.00 0.00 C ATOM 679 O SER A 49 -16.747 8.302 -1.749 1.00 0.00 O ATOM 680 CB SER A 49 -14.495 6.735 -3.391 1.00 0.00 C ATOM 681 OG SER A 49 -14.272 7.816 -4.280 1.00 0.00 O ATOM 0 H SER A 49 -13.453 5.530 -1.509 1.00 0.00 H new ATOM 0 HA SER A 49 -14.180 8.224 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.677 6.019 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.408 6.210 -3.674 1.00 0.00 H new ATOM 0 HG SER A 49 -14.201 7.476 -5.197 1.00 0.00 H new ATOM 687 N THR A 50 -16.565 6.211 -0.933 1.00 0.00 N ATOM 688 CA THR A 50 -17.951 6.143 -0.485 1.00 0.00 C ATOM 689 C THR A 50 -18.031 6.209 1.037 1.00 0.00 C ATOM 690 O THR A 50 -17.061 6.572 1.703 1.00 0.00 O ATOM 691 CB THR A 50 -18.608 4.854 -0.987 1.00 0.00 C ATOM 692 OG1 THR A 50 -18.250 3.756 -0.167 1.00 0.00 O ATOM 693 CG2 THR A 50 -18.233 4.504 -2.411 1.00 0.00 C ATOM 0 H THR A 50 -16.021 5.369 -0.747 1.00 0.00 H new ATOM 0 HA THR A 50 -18.485 6.999 -0.898 1.00 0.00 H new ATOM 0 HB THR A 50 -19.681 5.044 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.681 2.942 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.733 3.580 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.542 5.310 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.154 4.370 -2.480 1.00 0.00 H new ATOM 701 N GLY A 51 -19.190 5.855 1.582 1.00 0.00 N ATOM 702 CA GLY A 51 -19.370 5.880 3.022 1.00 0.00 C ATOM 703 C GLY A 51 -19.187 4.514 3.654 1.00 0.00 C ATOM 704 O GLY A 51 -20.071 4.026 4.358 1.00 0.00 O ATOM 0 H GLY A 51 -20.007 5.551 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.658 6.578 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.368 6.253 3.254 1.00 0.00 H new ATOM 708 N SER A 52 -18.038 3.895 3.401 1.00 0.00 N ATOM 709 CA SER A 52 -17.743 2.576 3.951 1.00 0.00 C ATOM 710 C SER A 52 -16.337 2.532 4.543 1.00 0.00 C ATOM 711 O SER A 52 -16.163 2.605 5.760 1.00 0.00 O ATOM 712 CB SER A 52 -17.889 1.506 2.867 1.00 0.00 C ATOM 713 OG SER A 52 -16.996 1.744 1.793 1.00 0.00 O ATOM 0 H SER A 52 -17.296 4.285 2.819 1.00 0.00 H new ATOM 0 HA SER A 52 -18.457 2.375 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 52 -17.695 0.522 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 52 -18.914 1.496 2.497 1.00 0.00 H new ATOM 0 HG SER A 52 -17.391 2.396 1.177 1.00 0.00 H new ATOM 719 N GLY A 53 -15.337 2.410 3.676 1.00 0.00 N ATOM 720 CA GLY A 53 -13.960 2.357 4.132 1.00 0.00 C ATOM 721 C GLY A 53 -13.415 0.943 4.173 1.00 0.00 C ATOM 722 O GLY A 53 -13.837 0.085 3.398 1.00 0.00 O ATOM 0 H GLY A 53 -15.456 2.347 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.339 2.963 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.893 2.798 5.127 1.00 0.00 H new ATOM 726 N SER A 54 -12.472 0.700 5.080 1.00 0.00 N ATOM 727 CA SER A 54 -11.865 -0.619 5.221 1.00 0.00 C ATOM 728 C SER A 54 -12.911 -1.664 5.591 1.00 0.00 C ATOM 729 O SER A 54 -13.094 -1.986 6.765 1.00 0.00 O ATOM 730 CB SER A 54 -10.764 -0.585 6.281 1.00 0.00 C ATOM 731 OG SER A 54 -11.276 -0.172 7.536 1.00 0.00 O ATOM 0 H SER A 54 -12.112 1.400 5.728 1.00 0.00 H new ATOM 0 HA SER A 54 -11.428 -0.894 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.315 -1.574 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.973 0.095 5.966 1.00 0.00 H new ATOM 0 HG SER A 54 -12.088 -0.680 7.741 1.00 0.00 H new ATOM 737 N GLY A 55 -13.593 -2.191 4.581 1.00 0.00 N ATOM 738 CA GLY A 55 -14.611 -3.196 4.817 1.00 0.00 C ATOM 739 C GLY A 55 -15.343 -3.584 3.549 1.00 0.00 C ATOM 740 O GLY A 55 -16.553 -3.810 3.566 1.00 0.00 O ATOM 0 H GLY A 55 -13.459 -1.940 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.149 -4.082 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.328 -2.819 5.546 1.00 0.00 H new ATOM 744 N SER A 56 -14.607 -3.662 2.445 1.00 0.00 N ATOM 745 CA SER A 56 -15.193 -4.026 1.160 1.00 0.00 C ATOM 746 C SER A 56 -15.233 -5.544 0.979 1.00 0.00 C ATOM 747 O SER A 56 -15.587 -6.037 -0.092 1.00 0.00 O ATOM 748 CB SER A 56 -14.400 -3.388 0.018 1.00 0.00 C ATOM 749 OG SER A 56 -15.176 -3.323 -1.167 1.00 0.00 O ATOM 0 H SER A 56 -13.604 -3.478 2.414 1.00 0.00 H new ATOM 0 HA SER A 56 -16.217 -3.653 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.085 -2.385 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.495 -3.966 -0.168 1.00 0.00 H new ATOM 0 HG SER A 56 -15.630 -4.180 -1.308 1.00 0.00 H new ATOM 755 N GLY A 57 -14.869 -6.280 2.027 1.00 0.00 N ATOM 756 CA GLY A 57 -14.874 -7.729 1.950 1.00 0.00 C ATOM 757 C GLY A 57 -13.478 -8.307 1.844 1.00 0.00 C ATOM 758 O GLY A 57 -12.490 -7.607 2.064 1.00 0.00 O ATOM 0 H GLY A 57 -14.572 -5.899 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.366 -8.135 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.460 -8.042 1.086 1.00 0.00 H new ATOM 762 N SER A 129 -13.395 -9.589 1.504 1.00 0.00 N ATOM 763 CA SER A 129 -12.109 -10.262 1.367 1.00 0.00 C ATOM 764 C SER A 129 -11.225 -9.552 0.346 1.00 0.00 C ATOM 765 O SER A 129 -10.004 -9.696 0.366 1.00 0.00 O ATOM 766 CB SER A 129 -12.315 -11.721 0.953 1.00 0.00 C ATOM 767 OG SER A 129 -13.618 -12.167 1.287 1.00 0.00 O ATOM 0 H SER A 129 -14.203 -10.183 1.318 1.00 0.00 H new ATOM 0 HA SER A 129 -11.609 -10.232 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.156 -11.824 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.574 -12.350 1.446 1.00 0.00 H new ATOM 0 HG SER A 129 -13.725 -13.101 1.011 1.00 0.00 H new ATOM 773 N THR A 130 -11.847 -8.788 -0.548 1.00 0.00 N ATOM 774 CA THR A 130 -11.111 -8.062 -1.576 1.00 0.00 C ATOM 775 C THR A 130 -10.091 -7.108 -0.958 1.00 0.00 C ATOM 776 O THR A 130 -8.970 -6.981 -1.449 1.00 0.00 O ATOM 777 CB THR A 130 -12.076 -7.283 -2.469 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.384 -7.819 -2.385 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.669 -7.288 -3.925 1.00 0.00 C ATOM 0 H THR A 130 -12.858 -8.656 -0.580 1.00 0.00 H new ATOM 0 HA THR A 130 -10.573 -8.793 -2.180 1.00 0.00 H new ATOM 0 HB THR A 130 -12.049 -6.257 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.874 -7.373 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.394 -6.719 -4.507 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.683 -6.834 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.636 -8.315 -4.290 1.00 0.00 H new ATOM 787 N GLU A 131 -10.489 -6.436 0.118 1.00 0.00 N ATOM 788 CA GLU A 131 -9.610 -5.490 0.798 1.00 0.00 C ATOM 789 C GLU A 131 -8.320 -6.166 1.256 1.00 0.00 C ATOM 790 O GLU A 131 -7.239 -5.584 1.169 1.00 0.00 O ATOM 791 CB GLU A 131 -10.331 -4.865 1.999 1.00 0.00 C ATOM 792 CG GLU A 131 -9.425 -4.037 2.898 1.00 0.00 C ATOM 793 CD GLU A 131 -8.980 -4.796 4.132 1.00 0.00 C ATOM 794 OE1 GLU A 131 -9.806 -4.970 5.052 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.805 -5.216 4.179 1.00 0.00 O ATOM 0 H GLU A 131 -11.414 -6.529 0.538 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.349 -4.704 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.142 -4.233 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.786 -5.659 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.548 -3.722 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.950 -3.131 3.202 1.00 0.00 H new ATOM 802 N GLU A 132 -8.440 -7.392 1.752 1.00 0.00 N ATOM 803 CA GLU A 132 -7.281 -8.139 2.231 1.00 0.00 C ATOM 804 C GLU A 132 -6.680 -9.003 1.125 1.00 0.00 C ATOM 805 O GLU A 132 -5.503 -9.354 1.171 1.00 0.00 O ATOM 806 CB GLU A 132 -7.667 -9.021 3.424 1.00 0.00 C ATOM 807 CG GLU A 132 -8.829 -8.477 4.240 1.00 0.00 C ATOM 808 CD GLU A 132 -8.717 -8.815 5.714 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.607 -8.685 6.270 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.740 -9.211 6.311 1.00 0.00 O ATOM 0 H GLU A 132 -9.326 -7.890 1.833 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.530 -7.414 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.925 -10.015 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.800 -9.135 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.875 -7.394 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.763 -8.880 3.849 1.00 0.00 H new ATOM 817 N LEU A 133 -7.498 -9.349 0.138 1.00 0.00 N ATOM 818 CA LEU A 133 -7.054 -10.179 -0.975 1.00 0.00 C ATOM 819 C LEU A 133 -5.856 -9.560 -1.693 1.00 0.00 C ATOM 820 O LEU A 133 -4.746 -10.089 -1.640 1.00 0.00 O ATOM 821 CB LEU A 133 -8.209 -10.384 -1.958 1.00 0.00 C ATOM 822 CG LEU A 133 -8.871 -11.768 -1.930 1.00 0.00 C ATOM 823 CD1 LEU A 133 -8.925 -12.324 -0.512 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.270 -11.693 -2.526 1.00 0.00 C ATOM 0 H LEU A 133 -8.477 -9.066 0.086 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.739 -11.143 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.972 -9.633 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.840 -10.199 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.266 -12.446 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.399 -13.305 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.913 -12.415 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.502 -11.650 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.730 -12.681 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.875 -10.996 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.208 -11.348 -3.558 1.00 0.00 H new ATOM 836 N ARG A 134 -6.092 -8.442 -2.372 1.00 0.00 N ATOM 837 CA ARG A 134 -5.037 -7.755 -3.111 1.00 0.00 C ATOM 838 C ARG A 134 -3.860 -7.403 -2.206 1.00 0.00 C ATOM 839 O ARG A 134 -2.701 -7.527 -2.603 1.00 0.00 O ATOM 840 CB ARG A 134 -5.586 -6.486 -3.763 1.00 0.00 C ATOM 841 CG ARG A 134 -6.193 -5.506 -2.774 1.00 0.00 C ATOM 842 CD ARG A 134 -6.826 -4.320 -3.483 1.00 0.00 C ATOM 843 NE ARG A 134 -7.806 -4.740 -4.484 1.00 0.00 N ATOM 844 CZ ARG A 134 -7.530 -4.906 -5.777 1.00 0.00 C ATOM 845 NH1 ARG A 134 -6.303 -4.699 -6.238 1.00 0.00 N ATOM 846 NH2 ARG A 134 -8.488 -5.285 -6.613 1.00 0.00 N ATOM 0 H ARG A 134 -7.006 -7.991 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.680 -8.434 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.782 -5.990 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.342 -6.763 -4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.945 -6.015 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.421 -5.153 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.310 -3.675 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.048 -3.727 -3.964 1.00 0.00 H new ATOM 0 HE ARG A 134 -8.761 -4.917 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.561 -4.410 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -6.102 -4.829 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -9.433 -5.449 -6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -8.280 -5.413 -7.603 1.00 0.00 H new ATOM 860 N VAL A 135 -4.163 -6.955 -0.994 1.00 0.00 N ATOM 861 CA VAL A 135 -3.128 -6.576 -0.039 1.00 0.00 C ATOM 862 C VAL A 135 -2.329 -7.790 0.433 1.00 0.00 C ATOM 863 O VAL A 135 -1.102 -7.745 0.506 1.00 0.00 O ATOM 864 CB VAL A 135 -3.737 -5.854 1.180 1.00 0.00 C ATOM 865 CG1 VAL A 135 -2.664 -5.515 2.206 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.472 -4.598 0.735 1.00 0.00 C ATOM 0 H VAL A 135 -5.116 -6.845 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.452 -5.895 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.452 -6.526 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.120 -5.007 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.184 -6.432 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.918 -4.863 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -4.897 -4.098 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.774 -3.926 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.272 -4.869 0.046 1.00 0.00 H new ATOM 876 N ARG A 136 -3.031 -8.870 0.758 1.00 0.00 N ATOM 877 CA ARG A 136 -2.385 -10.092 1.230 1.00 0.00 C ATOM 878 C ARG A 136 -1.516 -10.716 0.141 1.00 0.00 C ATOM 879 O ARG A 136 -0.402 -11.169 0.407 1.00 0.00 O ATOM 880 CB ARG A 136 -3.435 -11.103 1.695 1.00 0.00 C ATOM 881 CG ARG A 136 -4.080 -10.748 3.025 1.00 0.00 C ATOM 882 CD ARG A 136 -5.439 -11.413 3.179 1.00 0.00 C ATOM 883 NE ARG A 136 -5.326 -12.863 3.319 1.00 0.00 N ATOM 884 CZ ARG A 136 -6.313 -13.646 3.749 1.00 0.00 C ATOM 885 NH1 ARG A 136 -7.486 -13.125 4.084 1.00 0.00 N ATOM 886 NH2 ARG A 136 -6.126 -14.956 3.844 1.00 0.00 N ATOM 0 H ARG A 136 -4.048 -8.925 0.704 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.744 -9.825 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.212 -11.182 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.969 -12.085 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.427 -11.057 3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.192 -9.666 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.946 -11.003 4.052 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.057 -11.180 2.312 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.438 -13.301 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.636 -12.119 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.238 -13.731 4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.226 -15.363 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.882 -15.556 4.173 1.00 0.00 H new ATOM 900 N LEU A 137 -2.034 -10.747 -1.081 1.00 0.00 N ATOM 901 CA LEU A 137 -1.309 -11.327 -2.207 1.00 0.00 C ATOM 902 C LEU A 137 0.001 -10.588 -2.466 1.00 0.00 C ATOM 903 O LEU A 137 1.036 -11.209 -2.707 1.00 0.00 O ATOM 904 CB LEU A 137 -2.181 -11.302 -3.466 1.00 0.00 C ATOM 905 CG LEU A 137 -1.525 -11.862 -4.733 1.00 0.00 C ATOM 906 CD1 LEU A 137 -0.602 -10.828 -5.359 1.00 0.00 C ATOM 907 CD2 LEU A 137 -0.762 -13.143 -4.425 1.00 0.00 C ATOM 0 H LEU A 137 -2.954 -10.377 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 137 -1.070 -12.360 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.091 -11.868 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.482 -10.272 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 137 -2.313 -12.098 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -0.146 -11.244 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -1.176 -9.940 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.178 -10.558 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -0.305 -13.523 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.015 -12.936 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -1.449 -13.889 -4.026 1.00 0.00 H new ATOM 919 N ALA A 138 -0.051 -9.261 -2.426 1.00 0.00 N ATOM 920 CA ALA A 138 1.132 -8.440 -2.668 1.00 0.00 C ATOM 921 C ALA A 138 2.114 -8.504 -1.502 1.00 0.00 C ATOM 922 O ALA A 138 3.302 -8.225 -1.666 1.00 0.00 O ATOM 923 CB ALA A 138 0.724 -7.001 -2.932 1.00 0.00 C ATOM 0 H ALA A 138 -0.899 -8.730 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 138 1.638 -8.839 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.614 -6.398 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.076 -6.961 -3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.189 -6.610 -2.067 1.00 0.00 H new ATOM 929 N SER A 139 1.615 -8.868 -0.326 1.00 0.00 N ATOM 930 CA SER A 139 2.454 -8.961 0.865 1.00 0.00 C ATOM 931 C SER A 139 3.537 -10.028 0.708 1.00 0.00 C ATOM 932 O SER A 139 4.496 -10.067 1.478 1.00 0.00 O ATOM 933 CB SER A 139 1.592 -9.272 2.089 1.00 0.00 C ATOM 934 OG SER A 139 2.385 -9.730 3.170 1.00 0.00 O ATOM 0 H SER A 139 0.635 -9.103 -0.171 1.00 0.00 H new ATOM 0 HA SER A 139 2.948 -7.999 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.045 -8.378 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.850 -10.028 1.832 1.00 0.00 H new ATOM 0 HG SER A 139 1.810 -9.920 3.940 1.00 0.00 H new ATOM 940 N HIS A 140 3.374 -10.899 -0.284 1.00 0.00 N ATOM 941 CA HIS A 140 4.334 -11.969 -0.527 1.00 0.00 C ATOM 942 C HIS A 140 5.695 -11.433 -0.968 1.00 0.00 C ATOM 943 O HIS A 140 6.684 -12.166 -0.963 1.00 0.00 O ATOM 944 CB HIS A 140 3.794 -12.932 -1.587 1.00 0.00 C ATOM 945 CG HIS A 140 3.616 -12.309 -2.939 1.00 0.00 C ATOM 946 ND1 HIS A 140 3.548 -10.952 -3.162 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.494 -12.893 -4.159 1.00 0.00 C ATOM 948 CE1 HIS A 140 3.390 -10.758 -4.478 1.00 0.00 C ATOM 949 NE2 HIS A 140 3.351 -11.905 -5.128 1.00 0.00 N ATOM 0 H HIS A 140 2.586 -10.884 -0.932 1.00 0.00 H new ATOM 0 HA HIS A 140 4.474 -12.497 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.474 -13.779 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS A 140 2.835 -13.327 -1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.506 -13.956 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 140 3.306 -9.788 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 140 3.239 -12.040 -6.133 1.00 0.00 H new ATOM 957 N LEU A 141 5.749 -10.163 -1.360 1.00 0.00 N ATOM 958 CA LEU A 141 7.002 -9.567 -1.810 1.00 0.00 C ATOM 959 C LEU A 141 7.190 -8.156 -1.258 1.00 0.00 C ATOM 960 O LEU A 141 8.271 -7.809 -0.784 1.00 0.00 O ATOM 961 CB LEU A 141 7.049 -9.534 -3.337 1.00 0.00 C ATOM 962 CG LEU A 141 8.270 -8.823 -3.928 1.00 0.00 C ATOM 963 CD1 LEU A 141 9.207 -9.825 -4.583 1.00 0.00 C ATOM 964 CD2 LEU A 141 7.840 -7.756 -4.924 1.00 0.00 C ATOM 0 H LEU A 141 4.948 -9.532 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 141 7.815 -10.186 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.027 -10.558 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.148 -9.043 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 141 8.808 -8.333 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.068 -9.301 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.545 -10.547 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.681 -10.346 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.722 -7.263 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.276 -8.220 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 141 7.213 -7.020 -4.421 1.00 0.00 H new ATOM 976 N ARG A 142 6.139 -7.342 -1.340 1.00 0.00 N ATOM 977 CA ARG A 142 6.190 -5.961 -0.868 1.00 0.00 C ATOM 978 C ARG A 142 6.947 -5.832 0.453 1.00 0.00 C ATOM 979 O ARG A 142 8.093 -5.383 0.480 1.00 0.00 O ATOM 980 CB ARG A 142 4.771 -5.415 -0.711 1.00 0.00 C ATOM 981 CG ARG A 142 4.483 -4.204 -1.580 1.00 0.00 C ATOM 982 CD ARG A 142 4.916 -4.423 -3.022 1.00 0.00 C ATOM 983 NE ARG A 142 4.572 -5.760 -3.500 1.00 0.00 N ATOM 984 CZ ARG A 142 5.041 -6.288 -4.628 1.00 0.00 C ATOM 985 NH1 ARG A 142 5.868 -5.595 -5.400 1.00 0.00 N ATOM 986 NH2 ARG A 142 4.682 -7.513 -4.984 1.00 0.00 N ATOM 0 H ARG A 142 5.238 -7.618 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 142 6.731 -5.378 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.059 -6.203 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.607 -5.149 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.416 -3.982 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 142 5.000 -3.335 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 142 4.442 -3.677 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 142 5.993 -4.275 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 142 3.935 -6.322 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 142 6.148 -4.652 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 142 6.224 -6.005 -6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.047 -8.050 -4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.041 -7.919 -5.848 1.00 0.00 H new ATOM 1000 N LYS A 143 6.301 -6.224 1.544 1.00 0.00 N ATOM 1001 CA LYS A 143 6.918 -6.146 2.862 1.00 0.00 C ATOM 1002 C LYS A 143 8.102 -7.103 2.977 1.00 0.00 C ATOM 1003 O LYS A 143 8.902 -7.003 3.907 1.00 0.00 O ATOM 1004 CB LYS A 143 5.887 -6.455 3.949 1.00 0.00 C ATOM 1005 CG LYS A 143 4.710 -5.494 3.956 1.00 0.00 C ATOM 1006 CD LYS A 143 5.129 -4.101 4.402 1.00 0.00 C ATOM 1007 CE LYS A 143 3.925 -3.233 4.738 1.00 0.00 C ATOM 1008 NZ LYS A 143 3.863 -2.910 6.191 1.00 0.00 N ATOM 0 H LYS A 143 5.352 -6.598 1.542 1.00 0.00 H new ATOM 0 HA LYS A 143 7.289 -5.130 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 143 5.516 -7.471 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 143 6.376 -6.425 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 143 4.276 -5.442 2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 143 3.934 -5.872 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 143 5.777 -4.178 5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 143 5.712 -3.626 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 143 3.971 -2.309 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 143 3.011 -3.748 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 3.029 -2.318 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.793 -3.791 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 4.723 -2.396 6.469 1.00 0.00 H new ATOM 1022 N LEU A 144 8.211 -8.032 2.030 1.00 0.00 N ATOM 1023 CA LEU A 144 9.298 -9.002 2.037 1.00 0.00 C ATOM 1024 C LEU A 144 10.350 -8.670 0.979 1.00 0.00 C ATOM 1025 O LEU A 144 11.094 -9.547 0.539 1.00 0.00 O ATOM 1026 CB LEU A 144 8.750 -10.411 1.800 1.00 0.00 C ATOM 1027 CG LEU A 144 8.182 -11.100 3.042 1.00 0.00 C ATOM 1028 CD1 LEU A 144 7.184 -12.177 2.644 1.00 0.00 C ATOM 1029 CD2 LEU A 144 9.304 -11.692 3.882 1.00 0.00 C ATOM 0 H LEU A 144 7.560 -8.132 1.251 1.00 0.00 H new ATOM 0 HA LEU A 144 9.776 -8.959 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.968 -10.358 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 144 9.548 -11.031 1.392 1.00 0.00 H new ATOM 0 HG LEU A 144 7.660 -10.355 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.790 -12.657 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.365 -11.725 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 144 7.681 -12.922 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.882 -12.178 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 144 9.853 -12.425 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.981 -10.898 4.196 1.00 0.00 H new ATOM 1041 N ARG A 145 10.411 -7.404 0.571 1.00 0.00 N ATOM 1042 CA ARG A 145 11.378 -6.977 -0.436 1.00 0.00 C ATOM 1043 C ARG A 145 11.716 -5.495 -0.292 1.00 0.00 C ATOM 1044 O ARG A 145 12.887 -5.116 -0.305 1.00 0.00 O ATOM 1045 CB ARG A 145 10.841 -7.257 -1.842 1.00 0.00 C ATOM 1046 CG ARG A 145 11.813 -6.892 -2.955 1.00 0.00 C ATOM 1047 CD ARG A 145 13.245 -7.278 -2.610 1.00 0.00 C ATOM 1048 NE ARG A 145 14.188 -6.855 -3.643 1.00 0.00 N ATOM 1049 CZ ARG A 145 14.268 -7.414 -4.848 1.00 0.00 C ATOM 1050 NH1 ARG A 145 13.472 -8.426 -5.173 1.00 0.00 N ATOM 1051 NH2 ARG A 145 15.147 -6.962 -5.732 1.00 0.00 N ATOM 0 H ARG A 145 9.806 -6.661 0.920 1.00 0.00 H new ATOM 0 HA ARG A 145 12.293 -7.549 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.593 -8.315 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 145 9.915 -6.701 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 145 11.514 -7.393 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 145 11.762 -5.820 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 145 13.523 -6.826 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 145 13.309 -8.358 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 145 14.822 -6.086 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.794 -8.779 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.538 -8.850 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 145 15.762 -6.186 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 145 15.208 -7.391 -6.656 1.00 0.00 H new ATOM 1065 N LYS A 146 10.685 -4.663 -0.154 1.00 0.00 N ATOM 1066 CA LYS A 146 10.865 -3.216 -0.001 1.00 0.00 C ATOM 1067 C LYS A 146 11.934 -2.681 -0.954 1.00 0.00 C ATOM 1068 O LYS A 146 12.628 -1.715 -0.638 1.00 0.00 O ATOM 1069 CB LYS A 146 11.241 -2.856 1.447 1.00 0.00 C ATOM 1070 CG LYS A 146 11.058 -3.987 2.453 1.00 0.00 C ATOM 1071 CD LYS A 146 12.346 -4.292 3.206 1.00 0.00 C ATOM 1072 CE LYS A 146 13.471 -4.695 2.267 1.00 0.00 C ATOM 1073 NZ LYS A 146 14.778 -4.788 2.975 1.00 0.00 N ATOM 0 H LYS A 146 9.711 -4.966 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 146 9.912 -2.748 -0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.282 -2.534 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 146 10.638 -2.005 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 146 10.277 -3.717 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 146 10.720 -4.884 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 146 12.648 -3.415 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 146 12.166 -5.094 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 146 13.236 -5.656 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 146 13.547 -3.968 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 15.493 -4.236 2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 14.679 -4.410 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 15.077 -5.783 3.023 1.00 0.00 H new ATOM 1087 N ARG A 147 12.063 -3.317 -2.115 1.00 0.00 N ATOM 1088 CA ARG A 147 13.052 -2.911 -3.111 1.00 0.00 C ATOM 1089 C ARG A 147 14.469 -3.136 -2.587 1.00 0.00 C ATOM 1090 O ARG A 147 15.182 -4.022 -3.058 1.00 0.00 O ATOM 1091 CB ARG A 147 12.859 -1.441 -3.492 1.00 0.00 C ATOM 1092 CG ARG A 147 13.739 -0.992 -4.647 1.00 0.00 C ATOM 1093 CD ARG A 147 15.014 -0.328 -4.151 1.00 0.00 C ATOM 1094 NE ARG A 147 15.475 0.721 -5.058 1.00 0.00 N ATOM 1095 CZ ARG A 147 16.156 0.487 -6.178 1.00 0.00 C ATOM 1096 NH1 ARG A 147 16.457 -0.756 -6.533 1.00 0.00 N ATOM 1097 NH2 ARG A 147 16.537 1.500 -6.945 1.00 0.00 N ATOM 0 H ARG A 147 11.494 -4.117 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 147 12.909 -3.525 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 147 11.814 -1.277 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 147 13.069 -0.818 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 147 13.993 -1.851 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 147 13.186 -0.295 -5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 147 14.840 0.098 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 147 15.795 -1.080 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 147 15.263 1.690 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 147 16.166 -1.538 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 147 16.979 -0.929 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 147 16.308 2.457 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 147 17.059 1.322 -7.803 1.00 0.00 H new ATOM 1111 N LEU A 148 14.866 -2.332 -1.606 1.00 0.00 N ATOM 1112 CA LEU A 148 16.191 -2.445 -1.008 1.00 0.00 C ATOM 1113 C LEU A 148 16.103 -2.335 0.513 1.00 0.00 C ATOM 1114 O LEU A 148 16.139 -3.342 1.220 1.00 0.00 O ATOM 1115 CB LEU A 148 17.123 -1.365 -1.566 1.00 0.00 C ATOM 1116 CG LEU A 148 18.342 -1.892 -2.323 1.00 0.00 C ATOM 1117 CD1 LEU A 148 17.972 -2.241 -3.757 1.00 0.00 C ATOM 1118 CD2 LEU A 148 19.466 -0.867 -2.293 1.00 0.00 C ATOM 0 H LEU A 148 14.287 -1.593 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 148 16.601 -3.423 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 148 16.550 -0.721 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 148 17.468 -0.742 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 148 18.689 -2.800 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 148 18.853 -2.614 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.198 -3.008 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 148 17.600 -1.351 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 148 20.328 -1.256 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 148 19.128 0.057 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 148 19.749 -0.667 -1.259 1.00 0.00 H new ATOM 1130 N LEU A 149 15.986 -1.107 1.009 1.00 0.00 N ATOM 1131 CA LEU A 149 15.891 -0.866 2.442 1.00 0.00 C ATOM 1132 C LEU A 149 14.664 -0.022 2.772 1.00 0.00 C ATOM 1133 O LEU A 149 14.720 1.209 2.566 1.00 0.00 O ATOM 1134 CB LEU A 149 17.154 -0.166 2.937 1.00 0.00 C ATOM 1135 CG LEU A 149 18.461 -0.851 2.540 1.00 0.00 C ATOM 1136 CD1 LEU A 149 19.527 0.182 2.214 1.00 0.00 C ATOM 1137 CD2 LEU A 149 18.933 -1.781 3.648 1.00 0.00 C ATOM 1138 OXT LEU A 149 13.656 -0.599 3.231 1.00 0.00 O ATOM 0 H LEU A 149 15.955 -0.263 0.437 1.00 0.00 H new ATOM 0 HA LEU A 149 15.791 -1.827 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 149 17.163 0.854 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 149 17.112 -0.096 4.024 1.00 0.00 H new ATOM 0 HG LEU A 149 18.280 -1.448 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 149 20.451 -0.324 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 149 19.189 0.805 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 149 19.707 0.807 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 149 19.865 -2.260 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 149 19.097 -1.207 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 149 18.175 -2.543 3.831 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -1.107 0.849 4.895 1.00 0.33 CA