USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 798 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 LYS NZ :NH3+ 171:sc= 0.167 (180deg=-0.525!) USER MOD Set 1.2: A 110 GLN : amide:sc= 0.0717 K(o=0.24,f=-4.7) USER MOD Set 2.1: A 19 THR OG1 : rot 56:sc= 0.424 USER MOD Set 2.2: A 22 GLN : amide:sc= 0.4 K(o=0.82,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 1:sc= 0.907 USER MOD Single : A 25 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-0.77) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 1.31 (180deg=0.605) USER MOD Single : A 33 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.9) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.15 USER MOD Single : A 36 HIS : no HD1:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.04) USER MOD Single : A 44 THR OG1 : rot 101:sc= 1.05 USER MOD Single : A 46 ASN : amide:sc= -1.05 K(o=-1,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -1.22! (180deg=-2.97!) USER MOD Single : A 58 THR OG1 : rot 69:sc= 1.07 USER MOD Single : A 60 SER OG : rot 35:sc= -1.99! USER MOD Single : A 67 SER OG : rot -67:sc= 0.168 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= -0.0171 (180deg=-0.172) USER MOD Single : A 87 ASN : amide:sc= 0.869 K(o=0.87,f=-0.13) USER MOD Single : A 94 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.925 (180deg=0.746) USER MOD Single : A 106 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 61:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 10.289 12.547 1.929 1.00 0.00 N ATOM 2 CA ASN A 18 11.278 11.514 1.594 1.00 0.00 C ATOM 3 C ASN A 18 10.885 10.875 0.282 1.00 0.00 C ATOM 4 O ASN A 18 9.706 10.768 -0.016 1.00 0.00 O ATOM 5 CB ASN A 18 11.336 10.435 2.695 1.00 0.00 C ATOM 6 CG ASN A 18 11.821 10.959 4.034 1.00 0.00 C ATOM 7 OD1 ASN A 18 13.012 10.995 4.290 1.00 0.00 O ATOM 8 ND2 ASN A 18 10.908 11.331 4.903 1.00 0.00 N ATOM 0 HA ASN A 18 12.263 11.975 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.343 10.003 2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.995 9.630 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.188 11.663 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.920 11.288 4.654 1.00 0.00 H new ATOM 17 N THR A 19 11.846 10.460 -0.519 1.00 0.00 N ATOM 18 CA THR A 19 11.525 9.832 -1.784 1.00 0.00 C ATOM 19 C THR A 19 10.874 8.437 -1.541 1.00 0.00 C ATOM 20 O THR A 19 10.132 7.921 -2.376 1.00 0.00 O ATOM 21 CB THR A 19 12.745 9.788 -2.781 1.00 0.00 C ATOM 22 OG1 THR A 19 12.323 9.363 -4.084 1.00 0.00 O ATOM 23 CG2 THR A 19 13.842 8.864 -2.296 1.00 0.00 C ATOM 0 H THR A 19 12.843 10.545 -0.320 1.00 0.00 H new ATOM 0 HA THR A 19 10.788 10.456 -2.290 1.00 0.00 H new ATOM 0 HB THR A 19 13.142 10.802 -2.832 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.608 9.952 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.662 8.865 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.206 9.208 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.448 7.853 -2.196 1.00 0.00 H new ATOM 31 N ALA A 20 11.162 7.848 -0.383 1.00 0.00 N ATOM 32 CA ALA A 20 10.548 6.596 0.038 1.00 0.00 C ATOM 33 C ALA A 20 9.045 6.792 0.284 1.00 0.00 C ATOM 34 O ALA A 20 8.210 5.988 -0.160 1.00 0.00 O ATOM 35 CB ALA A 20 11.225 6.092 1.293 1.00 0.00 C ATOM 0 H ALA A 20 11.829 8.228 0.289 1.00 0.00 H new ATOM 0 HA ALA A 20 10.672 5.857 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.763 5.155 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.284 5.926 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.117 6.831 2.087 1.00 0.00 H new ATOM 41 N THR A 21 8.692 7.879 0.954 1.00 0.00 N ATOM 42 CA THR A 21 7.306 8.169 1.207 1.00 0.00 C ATOM 43 C THR A 21 6.638 8.592 -0.082 1.00 0.00 C ATOM 44 O THR A 21 5.511 8.266 -0.322 1.00 0.00 O ATOM 45 CB THR A 21 7.132 9.241 2.297 1.00 0.00 C ATOM 46 OG1 THR A 21 7.964 10.375 2.007 1.00 0.00 O ATOM 47 CG2 THR A 21 7.478 8.689 3.669 1.00 0.00 C ATOM 0 H THR A 21 9.348 8.565 1.326 1.00 0.00 H new ATOM 0 HA THR A 21 6.828 7.263 1.581 1.00 0.00 H new ATOM 0 HB THR A 21 6.086 9.548 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.449 10.219 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.346 9.469 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.822 7.849 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.515 8.352 3.675 1.00 0.00 H new ATOM 55 N GLN A 22 7.396 9.291 -0.915 1.00 0.00 N ATOM 56 CA GLN A 22 6.981 9.696 -2.256 1.00 0.00 C ATOM 57 C GLN A 22 6.640 8.447 -3.094 1.00 0.00 C ATOM 58 O GLN A 22 5.680 8.436 -3.865 1.00 0.00 O ATOM 59 CB GLN A 22 8.141 10.453 -2.879 1.00 0.00 C ATOM 60 CG GLN A 22 7.955 10.930 -4.294 1.00 0.00 C ATOM 61 CD GLN A 22 9.216 11.595 -4.792 1.00 0.00 C ATOM 62 OE1 GLN A 22 10.095 10.942 -5.352 1.00 0.00 O ATOM 63 NE2 GLN A 22 9.330 12.876 -4.584 1.00 0.00 N ATOM 0 H GLN A 22 8.338 9.600 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 22 6.094 10.328 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.357 11.319 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.021 9.811 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.701 10.088 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.122 11.632 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.580 13.385 -4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.169 13.370 -4.889 1.00 0.00 H new ATOM 72 N ARG A 23 7.424 7.399 -2.898 1.00 0.00 N ATOM 73 CA ARG A 23 7.229 6.120 -3.554 1.00 0.00 C ATOM 74 C ARG A 23 5.891 5.513 -3.151 1.00 0.00 C ATOM 75 O ARG A 23 5.105 5.129 -4.004 1.00 0.00 O ATOM 76 CB ARG A 23 8.396 5.177 -3.190 1.00 0.00 C ATOM 77 CG ARG A 23 8.293 3.704 -3.634 1.00 0.00 C ATOM 78 CD ARG A 23 8.271 3.498 -5.149 1.00 0.00 C ATOM 79 NE ARG A 23 6.977 3.830 -5.769 1.00 0.00 N ATOM 80 CZ ARG A 23 6.233 2.973 -6.482 1.00 0.00 C ATOM 81 NH1 ARG A 23 6.630 1.699 -6.639 1.00 0.00 N ATOM 82 NH2 ARG A 23 5.084 3.384 -7.023 1.00 0.00 N ATOM 0 H ARG A 23 8.226 7.415 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 23 7.215 6.265 -4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.309 5.593 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.515 5.193 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.136 3.152 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.387 3.272 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.050 4.111 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.515 2.459 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 23 6.622 4.779 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.501 1.380 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.060 1.051 -7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.775 4.347 -6.893 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.515 2.735 -7.566 1.00 0.00 H new ATOM 96 N PHE A 24 5.598 5.484 -1.872 1.00 0.00 N ATOM 97 CA PHE A 24 4.361 4.851 -1.443 1.00 0.00 C ATOM 98 C PHE A 24 3.246 5.853 -1.217 1.00 0.00 C ATOM 99 O PHE A 24 2.166 5.514 -0.720 1.00 0.00 O ATOM 100 CB PHE A 24 4.580 3.940 -0.240 1.00 0.00 C ATOM 101 CG PHE A 24 5.472 2.762 -0.547 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.326 2.060 -1.739 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.450 2.354 0.337 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.125 0.989 -2.032 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.256 1.272 0.038 1.00 0.00 C ATOM 106 CZ PHE A 24 7.093 0.591 -1.144 1.00 0.00 C ATOM 0 H PHE A 24 6.174 5.876 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 24 4.031 4.214 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.019 4.519 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.615 3.576 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.569 2.366 -2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.586 2.884 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.994 0.456 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.018 0.960 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.724 -0.255 -1.374 1.00 0.00 H new ATOM 116 N HIS A 25 3.481 7.061 -1.675 1.00 0.00 N ATOM 117 CA HIS A 25 2.540 8.156 -1.534 1.00 0.00 C ATOM 118 C HIS A 25 1.335 7.884 -2.397 1.00 0.00 C ATOM 119 O HIS A 25 0.220 8.212 -2.039 1.00 0.00 O ATOM 120 CB HIS A 25 3.200 9.471 -1.959 1.00 0.00 C ATOM 121 CG HIS A 25 2.441 10.693 -1.576 1.00 0.00 C ATOM 122 ND1 HIS A 25 1.716 11.451 -2.461 1.00 0.00 N ATOM 123 CD2 HIS A 25 2.333 11.308 -0.385 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.200 12.478 -1.826 1.00 0.00 C ATOM 125 NE2 HIS A 25 1.559 12.411 -0.567 1.00 0.00 N ATOM 0 H HIS A 25 4.340 7.317 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 25 2.232 8.240 -0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.195 9.523 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.331 9.464 -3.041 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.779 10.985 0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.584 13.248 -2.267 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.300 13.079 0.159 1.00 0.00 H new ATOM 134 N GLU A 26 1.580 7.237 -3.515 1.00 0.00 N ATOM 135 CA GLU A 26 0.546 6.882 -4.460 1.00 0.00 C ATOM 136 C GLU A 26 -0.446 5.927 -3.805 1.00 0.00 C ATOM 137 O GLU A 26 -1.658 6.100 -3.915 1.00 0.00 O ATOM 138 CB GLU A 26 1.188 6.242 -5.685 1.00 0.00 C ATOM 139 CG GLU A 26 2.237 7.130 -6.337 1.00 0.00 C ATOM 140 CD GLU A 26 2.949 6.460 -7.477 1.00 0.00 C ATOM 141 OE1 GLU A 26 3.973 5.791 -7.236 1.00 0.00 O ATOM 142 OE2 GLU A 26 2.513 6.615 -8.641 1.00 0.00 O ATOM 0 H GLU A 26 2.514 6.939 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 26 0.004 7.775 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.648 5.297 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.413 6.009 -6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.760 8.040 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.968 7.430 -5.586 1.00 0.00 H new ATOM 149 N ILE A 27 0.085 4.973 -3.055 1.00 0.00 N ATOM 150 CA ILE A 27 -0.724 3.977 -2.371 1.00 0.00 C ATOM 151 C ILE A 27 -1.509 4.645 -1.231 1.00 0.00 C ATOM 152 O ILE A 27 -2.649 4.286 -0.957 1.00 0.00 O ATOM 153 CB ILE A 27 0.098 2.725 -1.850 1.00 0.00 C ATOM 154 CG1 ILE A 27 0.768 1.928 -3.006 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.808 1.775 -1.076 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.924 2.616 -3.710 1.00 0.00 C ATOM 0 H ILE A 27 1.088 4.868 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.417 3.571 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 27 0.881 3.122 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.126 0.979 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.005 1.694 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.227 0.922 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.237 2.297 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.610 1.426 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.310 1.966 -4.495 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.577 3.551 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.715 2.825 -2.990 1.00 0.00 H new ATOM 168 N GLU A 28 -0.894 5.649 -0.612 1.00 0.00 N ATOM 169 CA GLU A 28 -1.537 6.432 0.442 1.00 0.00 C ATOM 170 C GLU A 28 -2.810 7.073 -0.106 1.00 0.00 C ATOM 171 O GLU A 28 -3.882 7.012 0.525 1.00 0.00 O ATOM 172 CB GLU A 28 -0.600 7.553 0.905 1.00 0.00 C ATOM 173 CG GLU A 28 -1.218 8.506 1.918 1.00 0.00 C ATOM 174 CD GLU A 28 -0.462 9.800 2.019 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.562 9.857 2.739 1.00 0.00 O ATOM 176 OE2 GLU A 28 -0.876 10.797 1.373 1.00 0.00 O ATOM 0 H GLU A 28 0.059 5.943 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.770 5.771 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.294 7.107 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.278 8.125 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.251 8.712 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.244 8.026 2.896 1.00 0.00 H new ATOM 183 N LYS A 29 -2.696 7.651 -1.295 1.00 0.00 N ATOM 184 CA LYS A 29 -3.821 8.322 -1.914 1.00 0.00 C ATOM 185 C LYS A 29 -4.890 7.302 -2.248 1.00 0.00 C ATOM 186 O LYS A 29 -6.079 7.561 -2.069 1.00 0.00 O ATOM 187 CB LYS A 29 -3.441 9.122 -3.178 1.00 0.00 C ATOM 188 CG LYS A 29 -2.124 9.920 -3.126 1.00 0.00 C ATOM 189 CD LYS A 29 -1.859 10.657 -1.800 1.00 0.00 C ATOM 190 CE LYS A 29 -2.919 11.660 -1.410 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.532 12.359 -0.159 1.00 0.00 N ATOM 0 H LYS A 29 -1.837 7.666 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.194 9.050 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.384 8.427 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.251 9.818 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.296 9.237 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.127 10.650 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.766 9.919 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.901 11.171 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.056 12.385 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.874 11.154 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.379 12.764 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.086 11.683 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.860 13.121 -0.381 1.00 0.00 H new ATOM 205 N PHE A 30 -4.454 6.125 -2.703 1.00 0.00 N ATOM 206 CA PHE A 30 -5.362 5.025 -2.972 1.00 0.00 C ATOM 207 C PHE A 30 -6.133 4.647 -1.739 1.00 0.00 C ATOM 208 O PHE A 30 -7.326 4.554 -1.787 1.00 0.00 O ATOM 209 CB PHE A 30 -4.645 3.779 -3.506 1.00 0.00 C ATOM 210 CG PHE A 30 -4.459 3.730 -4.999 1.00 0.00 C ATOM 211 CD1 PHE A 30 -3.349 4.281 -5.606 1.00 0.00 C ATOM 212 CD2 PHE A 30 -5.408 3.110 -5.794 1.00 0.00 C ATOM 213 CE1 PHE A 30 -3.188 4.224 -6.978 1.00 0.00 C ATOM 214 CE2 PHE A 30 -5.256 3.046 -7.165 1.00 0.00 C ATOM 215 CZ PHE A 30 -4.143 3.604 -7.758 1.00 0.00 C ATOM 0 H PHE A 30 -3.473 5.916 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.043 5.384 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.665 3.714 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.207 2.897 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.596 4.763 -5.001 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.281 2.670 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.316 4.664 -7.439 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.007 2.560 -7.771 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.019 3.556 -8.830 1.00 0.00 H new ATOM 225 N LEU A 31 -5.447 4.482 -0.625 1.00 0.00 N ATOM 226 CA LEU A 31 -6.089 4.050 0.615 1.00 0.00 C ATOM 227 C LEU A 31 -7.142 5.038 1.099 1.00 0.00 C ATOM 228 O LEU A 31 -8.247 4.632 1.521 1.00 0.00 O ATOM 229 CB LEU A 31 -5.065 3.772 1.717 1.00 0.00 C ATOM 230 CG LEU A 31 -4.040 2.672 1.429 1.00 0.00 C ATOM 231 CD1 LEU A 31 -3.151 2.458 2.632 1.00 0.00 C ATOM 232 CD2 LEU A 31 -4.726 1.373 1.026 1.00 0.00 C ATOM 0 H LEU A 31 -4.442 4.639 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.600 3.116 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.526 4.696 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.604 3.507 2.626 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.421 2.993 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.427 1.673 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.624 3.384 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.760 2.163 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.973 0.610 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.377 1.039 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.320 1.539 0.127 1.00 0.00 H new ATOM 244 N LEU A 32 -6.832 6.322 1.029 1.00 0.00 N ATOM 245 CA LEU A 32 -7.793 7.323 1.441 1.00 0.00 C ATOM 246 C LEU A 32 -8.964 7.399 0.453 1.00 0.00 C ATOM 247 O LEU A 32 -10.130 7.502 0.856 1.00 0.00 O ATOM 248 CB LEU A 32 -7.128 8.696 1.777 1.00 0.00 C ATOM 249 CG LEU A 32 -6.345 9.448 0.683 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.264 10.172 -0.299 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.361 10.417 1.316 1.00 0.00 C ATOM 0 H LEU A 32 -5.940 6.688 0.697 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.227 7.008 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.915 9.362 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.447 8.533 2.613 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.794 8.704 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.663 10.686 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.915 9.448 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.871 10.900 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.814 10.943 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.903 11.139 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.659 9.866 1.942 1.00 0.00 H new ATOM 263 N HIS A 33 -8.646 7.265 -0.832 1.00 0.00 N ATOM 264 CA HIS A 33 -9.648 7.232 -1.881 1.00 0.00 C ATOM 265 C HIS A 33 -10.543 6.011 -1.709 1.00 0.00 C ATOM 266 O HIS A 33 -11.737 6.113 -1.853 1.00 0.00 O ATOM 267 CB HIS A 33 -8.982 7.257 -3.285 1.00 0.00 C ATOM 268 CG HIS A 33 -9.916 7.005 -4.448 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.569 6.233 -5.520 1.00 0.00 N ATOM 270 CD2 HIS A 33 -11.187 7.398 -4.674 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.577 6.151 -6.349 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.583 6.847 -5.860 1.00 0.00 N ATOM 0 H HIS A 33 -7.688 7.177 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.270 8.124 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.506 8.228 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.191 6.508 -3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.783 8.032 -4.034 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.584 5.604 -7.280 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.500 6.956 -6.293 1.00 0.00 H new ATOM 281 N ILE A 34 -9.949 4.889 -1.381 1.00 0.00 N ATOM 282 CA ILE A 34 -10.663 3.652 -1.175 1.00 0.00 C ATOM 283 C ILE A 34 -11.592 3.745 0.027 1.00 0.00 C ATOM 284 O ILE A 34 -12.736 3.361 -0.065 1.00 0.00 O ATOM 285 CB ILE A 34 -9.689 2.427 -1.096 1.00 0.00 C ATOM 286 CG1 ILE A 34 -9.058 2.189 -2.490 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.379 1.165 -0.576 1.00 0.00 C ATOM 288 CD1 ILE A 34 -8.067 1.050 -2.558 1.00 0.00 C ATOM 0 H ILE A 34 -8.941 4.808 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.295 3.481 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.904 2.659 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.857 1.998 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.558 3.104 -2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.661 0.346 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.769 1.350 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.200 0.899 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.681 0.963 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.242 1.244 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.562 0.120 -2.277 1.00 0.00 H new ATOM 300 N THR A 35 -11.122 4.326 1.121 1.00 0.00 N ATOM 301 CA THR A 35 -11.968 4.500 2.303 1.00 0.00 C ATOM 302 C THR A 35 -13.173 5.414 1.946 1.00 0.00 C ATOM 303 O THR A 35 -14.333 5.134 2.308 1.00 0.00 O ATOM 304 CB THR A 35 -11.169 5.135 3.452 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.952 4.381 3.690 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.990 5.174 4.733 1.00 0.00 C ATOM 0 H THR A 35 -10.172 4.683 1.220 1.00 0.00 H new ATOM 0 HA THR A 35 -12.325 3.522 2.624 1.00 0.00 H new ATOM 0 HB THR A 35 -10.921 6.156 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.316 4.549 2.964 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.400 5.628 5.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.893 5.763 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.266 4.159 5.019 1.00 0.00 H new ATOM 314 N HIS A 36 -12.885 6.466 1.184 1.00 0.00 N ATOM 315 CA HIS A 36 -13.905 7.402 0.725 1.00 0.00 C ATOM 316 C HIS A 36 -14.852 6.693 -0.244 1.00 0.00 C ATOM 317 O HIS A 36 -16.045 6.935 -0.241 1.00 0.00 O ATOM 318 CB HIS A 36 -13.234 8.603 0.039 1.00 0.00 C ATOM 319 CG HIS A 36 -14.157 9.733 -0.345 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.196 10.922 0.332 1.00 0.00 N ATOM 321 CD2 HIS A 36 -15.029 9.869 -1.374 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.041 11.737 -0.255 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.559 11.122 -1.294 1.00 0.00 N ATOM 0 H HIS A 36 -11.942 6.692 0.869 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.480 7.763 1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.465 8.996 0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.728 8.250 -0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.261 9.123 -2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.272 12.743 0.062 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.246 11.518 -1.936 1.00 0.00 H new ATOM 332 N GLU A 37 -14.290 5.831 -1.061 1.00 0.00 N ATOM 333 CA GLU A 37 -15.006 5.039 -2.018 1.00 0.00 C ATOM 334 C GLU A 37 -16.004 4.158 -1.283 1.00 0.00 C ATOM 335 O GLU A 37 -17.139 4.127 -1.634 1.00 0.00 O ATOM 336 CB GLU A 37 -14.006 4.184 -2.802 1.00 0.00 C ATOM 337 CG GLU A 37 -14.510 3.603 -4.098 1.00 0.00 C ATOM 338 CD GLU A 37 -14.765 4.658 -5.140 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.807 5.358 -5.557 1.00 0.00 O ATOM 340 OE2 GLU A 37 -15.902 4.823 -5.567 1.00 0.00 O ATOM 0 H GLU A 37 -13.284 5.661 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.548 5.678 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.127 4.792 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.678 3.365 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.781 2.888 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.431 3.051 -3.911 1.00 0.00 H new ATOM 347 N VAL A 38 -15.557 3.528 -0.190 1.00 0.00 N ATOM 348 CA VAL A 38 -16.377 2.654 0.647 1.00 0.00 C ATOM 349 C VAL A 38 -17.558 3.424 1.172 1.00 0.00 C ATOM 350 O VAL A 38 -18.696 2.933 1.193 1.00 0.00 O ATOM 351 CB VAL A 38 -15.556 2.128 1.859 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.415 1.267 2.782 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.396 1.319 1.377 1.00 0.00 C ATOM 0 H VAL A 38 -14.596 3.615 0.141 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.709 1.811 0.040 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.202 2.993 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.811 0.916 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.249 1.859 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.800 0.411 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.826 0.954 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.760 0.472 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.754 1.940 0.752 1.00 0.00 H new ATOM 363 N ASP A 39 -17.282 4.638 1.547 1.00 0.00 N ATOM 364 CA ASP A 39 -18.280 5.527 2.069 1.00 0.00 C ATOM 365 C ASP A 39 -19.278 5.914 0.956 1.00 0.00 C ATOM 366 O ASP A 39 -20.511 5.945 1.149 1.00 0.00 O ATOM 367 CB ASP A 39 -17.602 6.756 2.677 1.00 0.00 C ATOM 368 CG ASP A 39 -18.554 7.760 3.270 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.051 8.622 2.531 1.00 0.00 O ATOM 370 OD2 ASP A 39 -18.772 7.742 4.500 1.00 0.00 O ATOM 0 H ASP A 39 -16.348 5.044 1.499 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.845 5.029 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.909 6.428 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.008 7.247 1.906 1.00 0.00 H new ATOM 375 N ASP A 40 -18.753 6.101 -0.227 1.00 0.00 N ATOM 376 CA ASP A 40 -19.537 6.485 -1.355 1.00 0.00 C ATOM 377 C ASP A 40 -20.344 5.297 -1.843 1.00 0.00 C ATOM 378 O ASP A 40 -21.423 5.458 -2.323 1.00 0.00 O ATOM 379 CB ASP A 40 -18.663 7.074 -2.465 1.00 0.00 C ATOM 380 CG ASP A 40 -19.488 7.650 -3.606 1.00 0.00 C ATOM 381 OD1 ASP A 40 -20.295 8.581 -3.368 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.336 7.199 -4.751 1.00 0.00 O ATOM 0 H ASP A 40 -17.760 5.988 -0.429 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.230 7.271 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -18.028 7.856 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -18.002 6.299 -2.853 1.00 0.00 H new ATOM 387 N LEU A 41 -19.809 4.095 -1.651 1.00 0.00 N ATOM 388 CA LEU A 41 -20.487 2.831 -2.004 1.00 0.00 C ATOM 389 C LEU A 41 -21.635 2.672 -1.090 1.00 0.00 C ATOM 390 O LEU A 41 -22.701 2.294 -1.485 1.00 0.00 O ATOM 391 CB LEU A 41 -19.611 1.600 -1.784 1.00 0.00 C ATOM 392 CG LEU A 41 -18.247 1.590 -2.396 1.00 0.00 C ATOM 393 CD1 LEU A 41 -17.548 0.272 -2.098 1.00 0.00 C ATOM 394 CD2 LEU A 41 -18.288 1.884 -3.888 1.00 0.00 C ATOM 0 H LEU A 41 -18.884 3.959 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.755 2.892 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.496 1.460 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.153 0.733 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.668 2.394 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.556 0.276 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.456 0.145 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.131 -0.551 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.275 1.866 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.891 1.129 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.727 2.868 -4.053 1.00 0.00 H new ATOM 406 N GLU A 42 -21.389 3.008 0.147 1.00 0.00 N ATOM 407 CA GLU A 42 -22.396 2.969 1.211 1.00 0.00 C ATOM 408 C GLU A 42 -23.573 3.890 0.834 1.00 0.00 C ATOM 409 O GLU A 42 -24.739 3.611 1.125 1.00 0.00 O ATOM 410 CB GLU A 42 -21.731 3.451 2.506 1.00 0.00 C ATOM 411 CG GLU A 42 -22.612 3.522 3.733 1.00 0.00 C ATOM 412 CD GLU A 42 -21.849 4.076 4.912 1.00 0.00 C ATOM 413 OE1 GLU A 42 -21.114 3.310 5.577 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.939 5.305 5.174 1.00 0.00 O ATOM 0 H GLU A 42 -20.473 3.324 0.465 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.781 1.958 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.893 2.789 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.315 4.443 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -23.479 4.150 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.989 2.528 3.973 1.00 0.00 H new ATOM 421 N LYS A 43 -23.226 4.928 0.114 1.00 0.00 N ATOM 422 CA LYS A 43 -24.125 5.958 -0.372 1.00 0.00 C ATOM 423 C LYS A 43 -24.732 5.555 -1.743 1.00 0.00 C ATOM 424 O LYS A 43 -25.742 6.102 -2.180 1.00 0.00 O ATOM 425 CB LYS A 43 -23.226 7.244 -0.446 1.00 0.00 C ATOM 426 CG LYS A 43 -23.625 8.457 -1.298 1.00 0.00 C ATOM 427 CD LYS A 43 -23.533 8.172 -2.795 1.00 0.00 C ATOM 428 CE LYS A 43 -23.655 9.408 -3.645 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.436 10.237 -3.584 1.00 0.00 N ATOM 0 H LYS A 43 -22.259 5.090 -0.166 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.990 6.121 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.102 7.602 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.244 6.923 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -24.644 8.753 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.979 9.299 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.581 7.686 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.319 7.469 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.848 9.121 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.511 9.995 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.488 10.984 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.358 10.670 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.602 9.642 -3.762 1.00 0.00 H new ATOM 443 N THR A 44 -24.134 4.589 -2.363 1.00 0.00 N ATOM 444 CA THR A 44 -24.396 4.255 -3.743 1.00 0.00 C ATOM 445 C THR A 44 -25.077 2.877 -3.935 1.00 0.00 C ATOM 446 O THR A 44 -26.105 2.769 -4.611 1.00 0.00 O ATOM 447 CB THR A 44 -23.042 4.360 -4.491 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.649 5.729 -4.644 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.983 3.657 -5.791 1.00 0.00 C ATOM 0 H THR A 44 -23.434 3.992 -1.923 1.00 0.00 H new ATOM 0 HA THR A 44 -25.124 4.953 -4.156 1.00 0.00 H new ATOM 0 HB THR A 44 -22.332 3.836 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.976 5.954 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.996 3.791 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.171 2.594 -5.639 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.739 4.067 -6.461 1.00 0.00 H new ATOM 457 N GLY A 45 -24.527 1.871 -3.336 1.00 0.00 N ATOM 458 CA GLY A 45 -25.019 0.535 -3.477 1.00 0.00 C ATOM 459 C GLY A 45 -24.260 -0.396 -2.576 1.00 0.00 C ATOM 460 O GLY A 45 -24.831 -0.966 -1.654 1.00 0.00 O ATOM 0 H GLY A 45 -23.713 1.953 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.081 0.503 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.920 0.211 -4.513 1.00 0.00 H new ATOM 464 N ASN A 46 -22.952 -0.554 -2.870 1.00 0.00 N ATOM 465 CA ASN A 46 -21.992 -1.372 -2.065 1.00 0.00 C ATOM 466 C ASN A 46 -22.304 -2.861 -2.282 1.00 0.00 C ATOM 467 O ASN A 46 -21.856 -3.739 -1.563 1.00 0.00 O ATOM 468 CB ASN A 46 -22.056 -0.956 -0.558 1.00 0.00 C ATOM 469 CG ASN A 46 -20.931 -1.504 0.316 1.00 0.00 C ATOM 470 OD1 ASN A 46 -19.867 -0.891 0.430 1.00 0.00 O ATOM 471 ND2 ASN A 46 -21.166 -2.601 0.982 1.00 0.00 N ATOM 0 H ASN A 46 -22.518 -0.115 -3.682 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.968 -1.191 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.044 0.132 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.009 -1.288 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.460 -2.973 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -22.056 -3.087 0.867 1.00 0.00 H new ATOM 478 N LYS A 47 -23.024 -3.098 -3.357 1.00 0.00 N ATOM 479 CA LYS A 47 -23.544 -4.409 -3.735 1.00 0.00 C ATOM 480 C LYS A 47 -22.420 -5.364 -4.123 1.00 0.00 C ATOM 481 O LYS A 47 -22.330 -6.494 -3.650 1.00 0.00 O ATOM 482 CB LYS A 47 -24.395 -4.224 -4.991 1.00 0.00 C ATOM 483 CG LYS A 47 -25.452 -3.138 -4.912 1.00 0.00 C ATOM 484 CD LYS A 47 -26.083 -2.845 -6.285 1.00 0.00 C ATOM 485 CE LYS A 47 -25.158 -2.057 -7.262 1.00 0.00 C ATOM 486 NZ LYS A 47 -23.907 -2.768 -7.637 1.00 0.00 N ATOM 0 H LYS A 47 -23.276 -2.364 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.099 -4.815 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -23.733 -4.001 -5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -24.887 -5.170 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.231 -3.441 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.005 -2.226 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.364 -3.789 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -27.002 -2.277 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.718 -1.831 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -24.895 -1.104 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.553 -2.394 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.190 -2.623 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.102 -3.785 -7.735 1.00 0.00 H new ATOM 500 N ASP A 48 -21.580 -4.876 -4.980 1.00 0.00 N ATOM 501 CA ASP A 48 -20.531 -5.647 -5.625 1.00 0.00 C ATOM 502 C ASP A 48 -19.250 -4.841 -5.696 1.00 0.00 C ATOM 503 O ASP A 48 -18.129 -5.391 -5.732 1.00 0.00 O ATOM 504 CB ASP A 48 -21.036 -6.030 -7.029 1.00 0.00 C ATOM 505 CG ASP A 48 -19.960 -6.286 -8.049 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.418 -7.414 -8.101 1.00 0.00 O ATOM 507 OD2 ASP A 48 -19.674 -5.355 -8.854 1.00 0.00 O ATOM 0 H ASP A 48 -21.595 -3.898 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.305 -6.548 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.654 -6.924 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.680 -5.231 -7.396 1.00 0.00 H new ATOM 512 N GLU A 49 -19.426 -3.539 -5.644 1.00 0.00 N ATOM 513 CA GLU A 49 -18.356 -2.579 -5.696 1.00 0.00 C ATOM 514 C GLU A 49 -17.432 -2.791 -4.531 1.00 0.00 C ATOM 515 O GLU A 49 -16.246 -2.659 -4.676 1.00 0.00 O ATOM 516 CB GLU A 49 -18.888 -1.129 -5.663 1.00 0.00 C ATOM 517 CG GLU A 49 -20.096 -0.815 -6.563 1.00 0.00 C ATOM 518 CD GLU A 49 -21.433 -1.190 -5.925 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.824 -2.381 -5.954 1.00 0.00 O ATOM 520 OE2 GLU A 49 -22.106 -0.317 -5.379 1.00 0.00 O ATOM 0 H GLU A 49 -20.348 -3.110 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.823 -2.726 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.158 -0.889 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.073 -0.461 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.099 0.249 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.988 -1.350 -7.506 1.00 0.00 H new ATOM 527 N LYS A 50 -17.983 -3.157 -3.383 1.00 0.00 N ATOM 528 CA LYS A 50 -17.192 -3.339 -2.180 1.00 0.00 C ATOM 529 C LYS A 50 -16.171 -4.468 -2.400 1.00 0.00 C ATOM 530 O LYS A 50 -14.996 -4.330 -2.072 1.00 0.00 O ATOM 531 CB LYS A 50 -18.104 -3.666 -0.977 1.00 0.00 C ATOM 532 CG LYS A 50 -17.600 -3.169 0.387 1.00 0.00 C ATOM 533 CD LYS A 50 -16.232 -3.666 0.775 1.00 0.00 C ATOM 534 CE LYS A 50 -16.179 -5.113 1.313 1.00 0.00 C ATOM 535 NZ LYS A 50 -16.448 -6.175 0.319 1.00 0.00 N ATOM 0 H LYS A 50 -18.980 -3.334 -3.262 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.660 -2.413 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.088 -3.234 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.235 -4.747 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.586 -2.079 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.312 -3.472 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.579 -3.596 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.824 -2.999 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.193 -5.285 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -16.902 -5.207 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.240 -7.104 0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.448 -6.139 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.845 -6.030 -0.516 1.00 0.00 H new ATOM 549 N ALA A 51 -16.632 -5.577 -2.933 1.00 0.00 N ATOM 550 CA ALA A 51 -15.763 -6.723 -3.204 1.00 0.00 C ATOM 551 C ALA A 51 -14.690 -6.358 -4.224 1.00 0.00 C ATOM 552 O ALA A 51 -13.507 -6.631 -4.028 1.00 0.00 O ATOM 553 CB ALA A 51 -16.581 -7.909 -3.696 1.00 0.00 C ATOM 0 H ALA A 51 -17.608 -5.720 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.270 -7.004 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.918 -8.752 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.309 -8.190 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.102 -7.636 -4.614 1.00 0.00 H new ATOM 559 N ARG A 52 -15.101 -5.675 -5.263 1.00 0.00 N ATOM 560 CA ARG A 52 -14.194 -5.259 -6.322 1.00 0.00 C ATOM 561 C ARG A 52 -13.212 -4.212 -5.842 1.00 0.00 C ATOM 562 O ARG A 52 -12.037 -4.242 -6.199 1.00 0.00 O ATOM 563 CB ARG A 52 -14.977 -4.783 -7.515 1.00 0.00 C ATOM 564 CG ARG A 52 -15.610 -5.917 -8.288 1.00 0.00 C ATOM 565 CD ARG A 52 -16.657 -5.413 -9.236 1.00 0.00 C ATOM 566 NE ARG A 52 -16.179 -4.306 -10.045 1.00 0.00 N ATOM 567 CZ ARG A 52 -16.950 -3.341 -10.514 1.00 0.00 C ATOM 568 NH1 ARG A 52 -18.265 -3.365 -10.279 1.00 0.00 N ATOM 569 NH2 ARG A 52 -16.403 -2.342 -11.207 1.00 0.00 N ATOM 0 H ARG A 52 -16.070 -5.389 -5.405 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.602 -6.123 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.756 -4.096 -7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.318 -4.221 -8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.842 -6.454 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.057 -6.628 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.975 -6.226 -9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.533 -5.096 -8.671 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.184 -4.271 -10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.673 -4.128 -9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.861 -2.621 -10.640 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.396 -2.327 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.991 -1.593 -11.573 1.00 0.00 H new ATOM 583 N LEU A 53 -13.682 -3.309 -5.015 1.00 0.00 N ATOM 584 CA LEU A 53 -12.855 -2.315 -4.435 1.00 0.00 C ATOM 585 C LEU A 53 -11.788 -2.949 -3.517 1.00 0.00 C ATOM 586 O LEU A 53 -10.642 -2.496 -3.471 1.00 0.00 O ATOM 587 CB LEU A 53 -13.714 -1.347 -3.672 1.00 0.00 C ATOM 588 CG LEU A 53 -12.959 -0.342 -2.899 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.208 0.610 -3.825 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.840 0.391 -1.931 1.00 0.00 C ATOM 0 H LEU A 53 -14.661 -3.255 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.326 -1.782 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.370 -0.831 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.354 -1.907 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.215 -0.871 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.660 1.340 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.508 0.044 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.919 1.127 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.247 1.122 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.633 0.903 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.281 -0.319 -1.231 1.00 0.00 H new ATOM 602 N LEU A 54 -12.157 -4.003 -2.799 1.00 0.00 N ATOM 603 CA LEU A 54 -11.182 -4.708 -1.983 1.00 0.00 C ATOM 604 C LEU A 54 -10.131 -5.365 -2.841 1.00 0.00 C ATOM 605 O LEU A 54 -8.958 -5.450 -2.471 1.00 0.00 O ATOM 606 CB LEU A 54 -11.788 -5.695 -0.991 1.00 0.00 C ATOM 607 CG LEU A 54 -12.542 -5.091 0.189 1.00 0.00 C ATOM 608 CD1 LEU A 54 -12.843 -6.158 1.213 1.00 0.00 C ATOM 609 CD2 LEU A 54 -11.754 -3.959 0.821 1.00 0.00 C ATOM 0 H LEU A 54 -13.104 -4.381 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.707 -3.943 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.470 -6.350 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.987 -6.322 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.481 -4.679 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.382 -5.716 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.456 -6.936 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.910 -6.593 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.316 -3.548 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.796 -4.337 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.583 -3.177 0.081 1.00 0.00 H new ATOM 621 N ARG A 55 -10.540 -5.802 -3.999 1.00 0.00 N ATOM 622 CA ARG A 55 -9.613 -6.408 -4.941 1.00 0.00 C ATOM 623 C ARG A 55 -8.633 -5.355 -5.413 1.00 0.00 C ATOM 624 O ARG A 55 -7.445 -5.616 -5.559 1.00 0.00 O ATOM 625 CB ARG A 55 -10.340 -7.038 -6.125 1.00 0.00 C ATOM 626 CG ARG A 55 -11.240 -8.200 -5.750 1.00 0.00 C ATOM 627 CD ARG A 55 -11.927 -8.785 -6.970 1.00 0.00 C ATOM 628 NE ARG A 55 -10.959 -9.250 -7.978 1.00 0.00 N ATOM 629 CZ ARG A 55 -11.077 -10.362 -8.714 1.00 0.00 C ATOM 630 NH1 ARG A 55 -12.172 -11.115 -8.633 1.00 0.00 N ATOM 631 NH2 ARG A 55 -10.113 -10.697 -9.563 1.00 0.00 N ATOM 0 H ARG A 55 -11.506 -5.755 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.077 -7.211 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.939 -6.273 -6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.602 -7.383 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.651 -8.973 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.990 -7.865 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.561 -9.618 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.580 -8.033 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.129 -8.677 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.930 -10.846 -8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.252 -11.960 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.285 -10.108 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.200 -11.544 -10.125 1.00 0.00 H new ATOM 645 N GLU A 56 -9.137 -4.153 -5.562 1.00 0.00 N ATOM 646 CA GLU A 56 -8.358 -3.013 -5.964 1.00 0.00 C ATOM 647 C GLU A 56 -7.293 -2.661 -4.898 1.00 0.00 C ATOM 648 O GLU A 56 -6.158 -2.270 -5.239 1.00 0.00 O ATOM 649 CB GLU A 56 -9.299 -1.850 -6.276 1.00 0.00 C ATOM 650 CG GLU A 56 -8.625 -0.597 -6.750 1.00 0.00 C ATOM 651 CD GLU A 56 -9.607 0.391 -7.307 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.958 0.293 -8.506 1.00 0.00 O ATOM 653 OE2 GLU A 56 -10.043 1.295 -6.586 1.00 0.00 O ATOM 0 H GLU A 56 -10.122 -3.939 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.801 -3.245 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.010 -2.172 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.875 -1.618 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.082 -0.141 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.889 -0.848 -7.514 1.00 0.00 H new ATOM 660 N LEU A 57 -7.618 -2.834 -3.609 1.00 0.00 N ATOM 661 CA LEU A 57 -6.607 -2.619 -2.591 1.00 0.00 C ATOM 662 C LEU A 57 -5.614 -3.746 -2.565 1.00 0.00 C ATOM 663 O LEU A 57 -4.477 -3.537 -2.274 1.00 0.00 O ATOM 664 CB LEU A 57 -7.113 -2.175 -1.179 1.00 0.00 C ATOM 665 CG LEU A 57 -8.124 -3.031 -0.403 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.533 -4.353 0.056 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.636 -2.247 0.790 1.00 0.00 C ATOM 0 H LEU A 57 -8.538 -3.111 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.081 -1.719 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.234 -2.063 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.553 -1.184 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.946 -3.268 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.289 -4.920 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.204 -4.925 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.682 -4.164 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.354 -2.853 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.801 -1.990 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.121 -1.334 0.444 1.00 0.00 H new ATOM 679 N THR A 58 -6.067 -4.938 -2.909 1.00 0.00 N ATOM 680 CA THR A 58 -5.201 -6.089 -3.018 1.00 0.00 C ATOM 681 C THR A 58 -4.142 -5.835 -4.140 1.00 0.00 C ATOM 682 O THR A 58 -2.989 -6.278 -4.065 1.00 0.00 O ATOM 683 CB THR A 58 -6.005 -7.386 -3.310 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.142 -7.474 -2.413 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.130 -8.615 -3.082 1.00 0.00 C ATOM 0 H THR A 58 -7.046 -5.131 -3.120 1.00 0.00 H new ATOM 0 HA THR A 58 -4.695 -6.232 -2.063 1.00 0.00 H new ATOM 0 HB THR A 58 -6.339 -7.352 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.792 -6.777 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.707 -9.516 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.267 -8.575 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.791 -8.633 -2.046 1.00 0.00 H new ATOM 693 N VAL A 59 -4.562 -5.135 -5.184 1.00 0.00 N ATOM 694 CA VAL A 59 -3.669 -4.755 -6.267 1.00 0.00 C ATOM 695 C VAL A 59 -2.682 -3.665 -5.789 1.00 0.00 C ATOM 696 O VAL A 59 -1.472 -3.775 -5.997 1.00 0.00 O ATOM 697 CB VAL A 59 -4.461 -4.291 -7.522 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.525 -3.900 -8.655 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.391 -5.398 -7.985 1.00 0.00 C ATOM 0 H VAL A 59 -5.524 -4.817 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.094 -5.634 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.045 -3.413 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.111 -3.581 -9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.882 -3.082 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.910 -4.757 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.943 -5.066 -8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.806 -6.283 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.093 -5.641 -7.187 1.00 0.00 H new ATOM 709 N SER A 60 -3.184 -2.649 -5.094 1.00 0.00 N ATOM 710 CA SER A 60 -2.313 -1.608 -4.531 1.00 0.00 C ATOM 711 C SER A 60 -1.344 -2.190 -3.498 1.00 0.00 C ATOM 712 O SER A 60 -0.184 -1.756 -3.342 1.00 0.00 O ATOM 713 CB SER A 60 -3.124 -0.400 -4.033 1.00 0.00 C ATOM 714 OG SER A 60 -4.332 -0.805 -3.437 1.00 0.00 O ATOM 0 H SER A 60 -4.178 -2.519 -4.905 1.00 0.00 H new ATOM 0 HA SER A 60 -1.682 -1.215 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.533 0.166 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.334 0.268 -4.868 1.00 0.00 H new ATOM 0 HG SER A 60 -4.195 -1.651 -2.961 1.00 0.00 H new ATOM 720 N GLU A 61 -1.822 -3.212 -2.893 1.00 0.00 N ATOM 721 CA GLU A 61 -1.112 -4.013 -1.910 1.00 0.00 C ATOM 722 C GLU A 61 0.060 -4.696 -2.609 1.00 0.00 C ATOM 723 O GLU A 61 1.182 -4.753 -2.092 1.00 0.00 O ATOM 724 CB GLU A 61 -2.080 -5.060 -1.355 1.00 0.00 C ATOM 725 CG GLU A 61 -1.544 -5.922 -0.268 1.00 0.00 C ATOM 726 CD GLU A 61 -2.536 -6.952 0.197 1.00 0.00 C ATOM 727 OE1 GLU A 61 -3.483 -6.602 0.925 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.379 -8.148 -0.124 1.00 0.00 O ATOM 0 H GLU A 61 -2.769 -3.549 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.738 -3.398 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.967 -4.547 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.403 -5.701 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.642 -6.424 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.253 -5.297 0.576 1.00 0.00 H new ATOM 735 N ALA A 62 -0.207 -5.165 -3.819 1.00 0.00 N ATOM 736 CA ALA A 62 0.783 -5.801 -4.650 1.00 0.00 C ATOM 737 C ALA A 62 1.875 -4.817 -5.046 1.00 0.00 C ATOM 738 O ALA A 62 3.017 -5.219 -5.266 1.00 0.00 O ATOM 739 CB ALA A 62 0.147 -6.431 -5.883 1.00 0.00 C ATOM 0 H ALA A 62 -1.130 -5.110 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 62 1.242 -6.600 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.920 -6.903 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.581 -7.182 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.354 -5.660 -6.468 1.00 0.00 H new ATOM 745 N PHE A 63 1.541 -3.522 -5.163 1.00 0.00 N ATOM 746 CA PHE A 63 2.603 -2.527 -5.441 1.00 0.00 C ATOM 747 C PHE A 63 3.507 -2.456 -4.231 1.00 0.00 C ATOM 748 O PHE A 63 4.707 -2.445 -4.373 1.00 0.00 O ATOM 749 CB PHE A 63 2.105 -1.094 -5.758 1.00 0.00 C ATOM 750 CG PHE A 63 0.874 -1.016 -6.580 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.599 -1.943 -7.569 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.054 -0.044 -6.300 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.594 -1.909 -8.229 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.233 0.012 -6.979 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.507 -0.929 -7.926 1.00 0.00 C ATOM 0 H PHE A 63 0.596 -3.147 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 63 3.110 -2.872 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.927 -0.573 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.901 -0.557 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.331 -2.696 -7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.154 0.686 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.819 -2.647 -8.984 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.945 0.796 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.454 -0.904 -8.445 1.00 0.00 H new ATOM 765 N ILE A 64 2.908 -2.445 -3.026 1.00 0.00 N ATOM 766 CA ILE A 64 3.692 -2.428 -1.778 1.00 0.00 C ATOM 767 C ILE A 64 4.608 -3.639 -1.707 1.00 0.00 C ATOM 768 O ILE A 64 5.810 -3.495 -1.537 1.00 0.00 O ATOM 769 CB ILE A 64 2.780 -2.378 -0.494 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.144 -0.996 -0.309 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.536 -2.796 0.780 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.141 0.114 -0.019 1.00 0.00 C ATOM 0 H ILE A 64 1.897 -2.448 -2.891 1.00 0.00 H new ATOM 0 HA ILE A 64 4.289 -1.516 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 64 1.984 -3.105 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.586 -0.742 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.425 -1.046 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.863 -2.744 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.902 -3.816 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.379 -2.124 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.610 1.059 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.683 -0.114 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.846 0.195 -0.846 1.00 0.00 H new ATOM 784 N GLU A 65 4.053 -4.808 -1.918 1.00 0.00 N ATOM 785 CA GLU A 65 4.834 -6.031 -1.835 1.00 0.00 C ATOM 786 C GLU A 65 5.868 -6.140 -2.952 1.00 0.00 C ATOM 787 O GLU A 65 7.019 -6.507 -2.703 1.00 0.00 O ATOM 788 CB GLU A 65 3.948 -7.266 -1.776 1.00 0.00 C ATOM 789 CG GLU A 65 3.021 -7.280 -0.575 1.00 0.00 C ATOM 790 CD GLU A 65 2.405 -8.628 -0.331 1.00 0.00 C ATOM 791 OE1 GLU A 65 1.415 -8.985 -0.989 1.00 0.00 O ATOM 792 OE2 GLU A 65 2.922 -9.369 0.542 1.00 0.00 O ATOM 0 H GLU A 65 3.069 -4.944 -2.148 1.00 0.00 H new ATOM 0 HA GLU A 65 5.387 -5.979 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.352 -7.322 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.577 -8.156 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.577 -6.974 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.230 -6.545 -0.724 1.00 0.00 H new ATOM 799 N GLY A 66 5.471 -5.774 -4.156 1.00 0.00 N ATOM 800 CA GLY A 66 6.367 -5.826 -5.294 1.00 0.00 C ATOM 801 C GLY A 66 7.489 -4.816 -5.189 1.00 0.00 C ATOM 802 O GLY A 66 8.645 -5.134 -5.456 1.00 0.00 O ATOM 0 H GLY A 66 4.532 -5.437 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.789 -6.828 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.801 -5.643 -6.208 1.00 0.00 H new ATOM 806 N SER A 67 7.160 -3.613 -4.752 1.00 0.00 N ATOM 807 CA SER A 67 8.137 -2.568 -4.602 1.00 0.00 C ATOM 808 C SER A 67 9.048 -2.915 -3.436 1.00 0.00 C ATOM 809 O SER A 67 10.235 -2.623 -3.454 1.00 0.00 O ATOM 810 CB SER A 67 7.449 -1.213 -4.397 1.00 0.00 C ATOM 811 OG SER A 67 8.367 -0.134 -4.392 1.00 0.00 O ATOM 0 H SER A 67 6.211 -3.342 -4.494 1.00 0.00 H new ATOM 0 HA SER A 67 8.738 -2.487 -5.508 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.715 -1.058 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.903 -1.225 -3.454 1.00 0.00 H new ATOM 0 HG SER A 67 8.939 -0.195 -3.598 1.00 0.00 H new ATOM 817 N ARG A 68 8.508 -3.587 -2.437 1.00 0.00 N ATOM 818 CA ARG A 68 9.336 -4.040 -1.349 1.00 0.00 C ATOM 819 C ARG A 68 10.271 -5.134 -1.807 1.00 0.00 C ATOM 820 O ARG A 68 11.413 -5.205 -1.367 1.00 0.00 O ATOM 821 CB ARG A 68 8.559 -4.431 -0.100 1.00 0.00 C ATOM 822 CG ARG A 68 7.943 -3.265 0.665 1.00 0.00 C ATOM 823 CD ARG A 68 7.237 -3.749 1.928 1.00 0.00 C ATOM 824 NE ARG A 68 8.120 -4.597 2.745 1.00 0.00 N ATOM 825 CZ ARG A 68 8.255 -4.570 4.078 1.00 0.00 C ATOM 826 NH1 ARG A 68 7.615 -3.681 4.812 1.00 0.00 N ATOM 827 NH2 ARG A 68 9.061 -5.440 4.662 1.00 0.00 N ATOM 0 H ARG A 68 7.519 -3.825 -2.361 1.00 0.00 H new ATOM 0 HA ARG A 68 9.936 -3.183 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.764 -5.120 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.226 -4.974 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.721 -2.549 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.233 -2.741 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.909 -2.891 2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.343 -4.309 1.655 1.00 0.00 H new ATOM 0 HE ARG A 68 8.690 -5.278 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.003 -2.997 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.731 -3.677 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.571 -6.121 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.173 -5.431 5.676 1.00 0.00 H new ATOM 841 N GLY A 69 9.799 -5.948 -2.732 1.00 0.00 N ATOM 842 CA GLY A 69 10.635 -6.948 -3.343 1.00 0.00 C ATOM 843 C GLY A 69 11.722 -6.288 -4.171 1.00 0.00 C ATOM 844 O GLY A 69 12.818 -6.814 -4.308 1.00 0.00 O ATOM 0 H GLY A 69 8.838 -5.931 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.084 -7.576 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.032 -7.600 -3.975 1.00 0.00 H new ATOM 848 N TYR A 70 11.425 -5.084 -4.650 1.00 0.00 N ATOM 849 CA TYR A 70 12.357 -4.294 -5.453 1.00 0.00 C ATOM 850 C TYR A 70 13.467 -3.842 -4.537 1.00 0.00 C ATOM 851 O TYR A 70 14.645 -3.999 -4.835 1.00 0.00 O ATOM 852 CB TYR A 70 11.608 -3.088 -6.079 1.00 0.00 C ATOM 853 CG TYR A 70 12.430 -2.097 -6.903 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.102 -1.031 -6.298 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.490 -2.200 -8.284 1.00 0.00 C ATOM 856 CE1 TYR A 70 13.804 -0.110 -7.053 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.198 -1.288 -9.042 1.00 0.00 C ATOM 858 CZ TYR A 70 13.850 -0.245 -8.425 1.00 0.00 C ATOM 859 OH TYR A 70 14.540 0.675 -9.187 1.00 0.00 O ATOM 0 H TYR A 70 10.528 -4.625 -4.492 1.00 0.00 H new ATOM 0 HA TYR A 70 12.775 -4.878 -6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.815 -3.479 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.126 -2.536 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.072 -0.925 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.973 -3.010 -8.777 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.314 0.711 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.240 -1.393 -10.116 1.00 0.00 H new ATOM 0 HH TYR A 70 14.473 0.432 -10.134 1.00 0.00 H new ATOM 869 N PHE A 71 13.066 -3.349 -3.384 1.00 0.00 N ATOM 870 CA PHE A 71 13.983 -2.921 -2.360 1.00 0.00 C ATOM 871 C PHE A 71 14.827 -4.083 -1.848 1.00 0.00 C ATOM 872 O PHE A 71 16.012 -3.917 -1.576 1.00 0.00 O ATOM 873 CB PHE A 71 13.286 -2.141 -1.242 1.00 0.00 C ATOM 874 CG PHE A 71 12.668 -0.854 -1.735 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.432 0.066 -2.439 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.332 -0.579 -1.532 1.00 0.00 C ATOM 877 CE1 PHE A 71 12.876 1.230 -2.921 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.767 0.582 -2.020 1.00 0.00 C ATOM 879 CZ PHE A 71 11.542 1.489 -2.713 1.00 0.00 C ATOM 0 H PHE A 71 12.084 -3.235 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 71 14.676 -2.214 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.512 -2.765 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 71 14.007 -1.917 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.479 -0.134 -2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.720 -1.281 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.487 1.938 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.718 0.781 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.102 2.400 -3.091 1.00 0.00 H new ATOM 889 N GLN A 72 14.215 -5.265 -1.719 1.00 0.00 N ATOM 890 CA GLN A 72 14.942 -6.459 -1.324 1.00 0.00 C ATOM 891 C GLN A 72 16.046 -6.758 -2.318 1.00 0.00 C ATOM 892 O GLN A 72 17.138 -7.146 -1.933 1.00 0.00 O ATOM 893 CB GLN A 72 14.034 -7.673 -1.229 1.00 0.00 C ATOM 894 CG GLN A 72 13.028 -7.646 -0.101 1.00 0.00 C ATOM 895 CD GLN A 72 12.212 -8.917 -0.064 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.954 -9.538 -1.098 1.00 0.00 O ATOM 897 NE2 GLN A 72 11.831 -9.336 1.104 1.00 0.00 N ATOM 0 H GLN A 72 13.219 -5.412 -1.884 1.00 0.00 H new ATOM 0 HA GLN A 72 15.363 -6.260 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.495 -7.777 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.655 -8.562 -1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.547 -7.516 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.365 -6.789 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.062 -8.798 1.939 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.301 -10.204 1.187 1.00 0.00 H new ATOM 906 N ARG A 73 15.764 -6.548 -3.602 1.00 0.00 N ATOM 907 CA ARG A 73 16.752 -6.801 -4.645 1.00 0.00 C ATOM 908 C ARG A 73 17.869 -5.782 -4.561 1.00 0.00 C ATOM 909 O ARG A 73 19.033 -6.088 -4.829 1.00 0.00 O ATOM 910 CB ARG A 73 16.138 -6.807 -6.059 1.00 0.00 C ATOM 911 CG ARG A 73 14.955 -7.756 -6.253 1.00 0.00 C ATOM 912 CD ARG A 73 15.161 -9.089 -5.543 1.00 0.00 C ATOM 913 NE ARG A 73 16.426 -9.750 -5.923 1.00 0.00 N ATOM 914 CZ ARG A 73 16.943 -10.824 -5.315 1.00 0.00 C ATOM 915 NH1 ARG A 73 16.276 -11.431 -4.333 1.00 0.00 N ATOM 916 NH2 ARG A 73 18.118 -11.284 -5.691 1.00 0.00 N ATOM 0 H ARG A 73 14.865 -6.206 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 73 17.153 -7.800 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.814 -5.795 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.917 -7.072 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 73 14.047 -7.283 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 73 14.805 -7.933 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.151 -8.927 -4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.327 -9.751 -5.774 1.00 0.00 H new ATOM 0 HE ARG A 73 16.945 -9.358 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.365 -11.077 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.677 -12.249 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.630 -10.822 -6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 73 18.516 -12.102 -5.231 1.00 0.00 H new ATOM 930 N GLU A 74 17.506 -4.585 -4.158 1.00 0.00 N ATOM 931 CA GLU A 74 18.450 -3.507 -3.944 1.00 0.00 C ATOM 932 C GLU A 74 19.352 -3.818 -2.751 1.00 0.00 C ATOM 933 O GLU A 74 20.516 -3.447 -2.726 1.00 0.00 O ATOM 934 CB GLU A 74 17.724 -2.184 -3.735 1.00 0.00 C ATOM 935 CG GLU A 74 16.900 -1.715 -4.920 1.00 0.00 C ATOM 936 CD GLU A 74 17.744 -1.437 -6.128 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.477 -0.428 -6.124 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.686 -2.210 -7.107 1.00 0.00 O ATOM 0 H GLU A 74 16.537 -4.328 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 74 19.072 -3.415 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.068 -2.278 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.460 -1.416 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.157 -2.474 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.355 -0.812 -4.645 1.00 0.00 H new ATOM 945 N LEU A 75 18.811 -4.523 -1.789 1.00 0.00 N ATOM 946 CA LEU A 75 19.570 -4.971 -0.632 1.00 0.00 C ATOM 947 C LEU A 75 20.554 -6.073 -1.027 1.00 0.00 C ATOM 948 O LEU A 75 21.493 -6.368 -0.303 1.00 0.00 O ATOM 949 CB LEU A 75 18.626 -5.458 0.482 1.00 0.00 C ATOM 950 CG LEU A 75 17.777 -4.377 1.166 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.734 -4.999 2.076 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.665 -3.454 1.977 1.00 0.00 C ATOM 0 H LEU A 75 17.831 -4.806 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 75 20.141 -4.125 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.955 -6.206 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.223 -5.959 1.244 1.00 0.00 H new ATOM 0 HG LEU A 75 17.268 -3.807 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.147 -4.211 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.076 -5.641 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.229 -5.592 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.053 -2.691 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.191 -4.031 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.390 -2.976 1.319 1.00 0.00 H new ATOM 964 N LYS A 76 20.345 -6.654 -2.195 1.00 0.00 N ATOM 965 CA LYS A 76 21.183 -7.748 -2.671 1.00 0.00 C ATOM 966 C LYS A 76 22.322 -7.213 -3.541 1.00 0.00 C ATOM 967 O LYS A 76 23.202 -7.962 -3.962 1.00 0.00 O ATOM 968 CB LYS A 76 20.355 -8.795 -3.444 1.00 0.00 C ATOM 969 CG LYS A 76 19.186 -9.403 -2.655 1.00 0.00 C ATOM 970 CD LYS A 76 19.635 -10.113 -1.379 1.00 0.00 C ATOM 971 CE LYS A 76 20.453 -11.362 -1.669 1.00 0.00 C ATOM 972 NZ LYS A 76 21.015 -11.953 -0.435 1.00 0.00 N ATOM 0 H LYS A 76 19.599 -6.387 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 76 21.613 -8.242 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.962 -8.331 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 21.018 -9.600 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.480 -8.614 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.654 -10.111 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.227 -9.427 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.759 -10.384 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.825 -12.098 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.263 -11.114 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.565 -12.802 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.634 -11.260 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.241 -12.214 0.209 1.00 0.00 H new ATOM 986 N ARG A 77 22.268 -5.912 -3.815 1.00 0.00 N ATOM 987 CA ARG A 77 23.252 -5.206 -4.645 1.00 0.00 C ATOM 988 C ARG A 77 24.666 -5.346 -4.157 1.00 0.00 C ATOM 989 O ARG A 77 25.594 -5.448 -4.969 1.00 0.00 O ATOM 990 CB ARG A 77 22.923 -3.718 -4.700 1.00 0.00 C ATOM 991 CG ARG A 77 21.947 -3.350 -5.771 1.00 0.00 C ATOM 992 CD ARG A 77 21.313 -1.994 -5.538 1.00 0.00 C ATOM 993 NE ARG A 77 22.271 -0.897 -5.416 1.00 0.00 N ATOM 994 CZ ARG A 77 21.928 0.340 -5.036 1.00 0.00 C ATOM 995 NH1 ARG A 77 20.651 0.675 -4.919 1.00 0.00 N ATOM 996 NH2 ARG A 77 22.853 1.260 -4.821 1.00 0.00 N ATOM 0 H ARG A 77 21.528 -5.305 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 77 23.188 -5.669 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 77 22.521 -3.409 -3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.845 -3.158 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.454 -3.349 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.166 -4.109 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.633 -1.777 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 77 20.711 -2.038 -4.630 1.00 0.00 H new ATOM 0 HE ARG A 77 23.250 -1.083 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.923 -0.011 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.396 1.619 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 77 23.839 1.030 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.580 2.199 -4.532 1.00 0.00 H new ATOM 1010 N THR A 78 24.836 -5.284 -2.844 1.00 0.00 N ATOM 1011 CA THR A 78 26.144 -5.222 -2.179 1.00 0.00 C ATOM 1012 C THR A 78 26.749 -3.799 -2.367 1.00 0.00 C ATOM 1013 O THR A 78 27.345 -3.226 -1.453 1.00 0.00 O ATOM 1014 CB THR A 78 27.124 -6.317 -2.669 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.440 -7.589 -2.718 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.290 -6.430 -1.705 1.00 0.00 C ATOM 0 H THR A 78 24.054 -5.275 -2.190 1.00 0.00 H new ATOM 0 HA THR A 78 25.988 -5.418 -1.118 1.00 0.00 H new ATOM 0 HB THR A 78 27.489 -6.049 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.059 -8.282 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.977 -7.201 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.813 -5.475 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 27.919 -6.695 -0.715 1.00 0.00 H new ATOM 1024 N ASP A 79 26.546 -3.233 -3.548 1.00 0.00 N ATOM 1025 CA ASP A 79 26.902 -1.862 -3.836 1.00 0.00 C ATOM 1026 C ASP A 79 25.756 -0.938 -3.433 1.00 0.00 C ATOM 1027 O ASP A 79 24.905 -0.582 -4.232 1.00 0.00 O ATOM 1028 CB ASP A 79 27.273 -1.669 -5.312 1.00 0.00 C ATOM 1029 CG ASP A 79 27.567 -0.225 -5.665 1.00 0.00 C ATOM 1030 OD1 ASP A 79 28.604 0.314 -5.213 1.00 0.00 O ATOM 1031 OD2 ASP A 79 26.756 0.399 -6.386 1.00 0.00 O ATOM 0 H ASP A 79 26.125 -3.723 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 79 27.786 -1.608 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 79 28.146 -2.279 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 79 26.456 -2.031 -5.936 1.00 0.00 H new ATOM 1036 N LEU A 80 25.679 -0.728 -2.162 1.00 0.00 N ATOM 1037 CA LEU A 80 24.760 0.154 -1.496 1.00 0.00 C ATOM 1038 C LEU A 80 25.462 0.605 -0.254 1.00 0.00 C ATOM 1039 O LEU A 80 26.423 -0.036 0.208 1.00 0.00 O ATOM 1040 CB LEU A 80 23.409 -0.561 -1.150 1.00 0.00 C ATOM 1041 CG LEU A 80 23.386 -1.618 -0.010 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.965 -2.025 0.282 1.00 0.00 C ATOM 1043 CD2 LEU A 80 24.179 -2.855 -0.351 1.00 0.00 C ATOM 0 H LEU A 80 26.301 -1.201 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 80 24.491 0.993 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.683 0.212 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.053 -1.048 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 80 23.844 -1.151 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.956 -2.766 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.392 -1.151 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.518 -2.454 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 80 24.129 -3.559 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.763 -3.319 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 25.218 -2.582 -0.533 1.00 0.00 H new ATOM 1055 N ASP A 81 25.038 1.687 0.243 1.00 0.00 N ATOM 1056 CA ASP A 81 25.633 2.296 1.389 1.00 0.00 C ATOM 1057 C ASP A 81 24.512 2.603 2.346 1.00 0.00 C ATOM 1058 O ASP A 81 23.349 2.292 2.019 1.00 0.00 O ATOM 1059 CB ASP A 81 26.360 3.561 0.922 1.00 0.00 C ATOM 1060 CG ASP A 81 27.167 4.251 1.984 1.00 0.00 C ATOM 1061 OD1 ASP A 81 28.175 3.683 2.443 1.00 0.00 O ATOM 1062 OD2 ASP A 81 26.833 5.371 2.341 1.00 0.00 O ATOM 0 H ASP A 81 24.244 2.204 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 81 26.361 1.657 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 81 27.021 3.299 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.624 4.263 0.531 1.00 0.00 H new ATOM 1067 N LEU A 82 24.804 3.215 3.496 1.00 0.00 N ATOM 1068 CA LEU A 82 23.770 3.562 4.470 1.00 0.00 C ATOM 1069 C LEU A 82 22.681 4.409 3.830 1.00 0.00 C ATOM 1070 O LEU A 82 21.519 4.310 4.194 1.00 0.00 O ATOM 1071 CB LEU A 82 24.318 4.217 5.771 1.00 0.00 C ATOM 1072 CG LEU A 82 25.230 5.454 5.658 1.00 0.00 C ATOM 1073 CD1 LEU A 82 25.119 6.290 6.921 1.00 0.00 C ATOM 1074 CD2 LEU A 82 26.681 5.031 5.514 1.00 0.00 C ATOM 0 H LEU A 82 25.749 3.480 3.774 1.00 0.00 H new ATOM 0 HA LEU A 82 23.332 2.617 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.462 4.495 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.868 3.452 6.318 1.00 0.00 H new ATOM 0 HG LEU A 82 24.917 6.026 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.765 7.164 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.087 6.614 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.425 5.693 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 82 27.312 5.916 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 82 26.979 4.449 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 82 26.795 4.423 4.617 1.00 0.00 H new ATOM 1086 N LEU A 83 23.079 5.195 2.843 1.00 0.00 N ATOM 1087 CA LEU A 83 22.174 6.027 2.043 1.00 0.00 C ATOM 1088 C LEU A 83 21.101 5.212 1.367 1.00 0.00 C ATOM 1089 O LEU A 83 19.915 5.519 1.457 1.00 0.00 O ATOM 1090 CB LEU A 83 22.965 6.729 0.937 1.00 0.00 C ATOM 1091 CG LEU A 83 23.732 8.024 1.295 1.00 0.00 C ATOM 1092 CD1 LEU A 83 22.775 9.088 1.791 1.00 0.00 C ATOM 1093 CD2 LEU A 83 24.829 7.786 2.314 1.00 0.00 C ATOM 0 H LEU A 83 24.057 5.279 2.565 1.00 0.00 H new ATOM 0 HA LEU A 83 21.712 6.738 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.686 6.015 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.271 6.965 0.130 1.00 0.00 H new ATOM 0 HG LEU A 83 24.213 8.371 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.332 9.992 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 83 22.046 9.313 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 83 22.258 8.726 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.336 8.727 2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 83 24.394 7.390 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 83 25.548 7.070 1.915 1.00 0.00 H new ATOM 1105 N GLU A 84 21.513 4.166 0.739 1.00 0.00 N ATOM 1106 CA GLU A 84 20.622 3.323 0.007 1.00 0.00 C ATOM 1107 C GLU A 84 19.752 2.579 0.972 1.00 0.00 C ATOM 1108 O GLU A 84 18.532 2.560 0.843 1.00 0.00 O ATOM 1109 CB GLU A 84 21.429 2.381 -0.851 1.00 0.00 C ATOM 1110 CG GLU A 84 22.220 3.076 -1.938 1.00 0.00 C ATOM 1111 CD GLU A 84 21.332 3.769 -2.943 1.00 0.00 C ATOM 1112 OE1 GLU A 84 20.962 4.929 -2.732 1.00 0.00 O ATOM 1113 OE2 GLU A 84 21.008 3.167 -3.970 1.00 0.00 O ATOM 0 H GLU A 84 22.487 3.865 0.717 1.00 0.00 H new ATOM 0 HA GLU A 84 19.980 3.913 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.115 1.822 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.757 1.656 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 84 22.890 3.806 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.845 2.346 -2.452 1.00 0.00 H new ATOM 1120 N LYS A 85 20.395 2.064 1.999 1.00 0.00 N ATOM 1121 CA LYS A 85 19.761 1.315 3.060 1.00 0.00 C ATOM 1122 C LYS A 85 18.678 2.130 3.686 1.00 0.00 C ATOM 1123 O LYS A 85 17.606 1.617 3.978 1.00 0.00 O ATOM 1124 CB LYS A 85 20.780 0.954 4.137 1.00 0.00 C ATOM 1125 CG LYS A 85 21.829 -0.065 3.733 1.00 0.00 C ATOM 1126 CD LYS A 85 21.274 -1.486 3.685 1.00 0.00 C ATOM 1127 CE LYS A 85 20.880 -2.008 5.071 1.00 0.00 C ATOM 1128 NZ LYS A 85 22.029 -2.062 6.005 1.00 0.00 N ATOM 0 H LYS A 85 21.403 2.159 2.121 1.00 0.00 H new ATOM 0 HA LYS A 85 19.342 0.405 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.288 1.866 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.244 0.572 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.229 0.199 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.659 -0.026 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.403 -1.511 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.020 -2.150 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.105 -1.367 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.450 -3.005 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.769 -2.619 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.840 -2.508 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.286 -1.097 6.296 1.00 0.00 H new ATOM 1142 N PHE A 86 18.933 3.425 3.824 1.00 0.00 N ATOM 1143 CA PHE A 86 17.993 4.295 4.455 1.00 0.00 C ATOM 1144 C PHE A 86 16.710 4.389 3.662 1.00 0.00 C ATOM 1145 O PHE A 86 15.659 4.396 4.214 1.00 0.00 O ATOM 1146 CB PHE A 86 18.583 5.686 4.731 1.00 0.00 C ATOM 1147 CG PHE A 86 17.587 6.653 5.314 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.176 6.535 6.632 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.036 7.659 4.529 1.00 0.00 C ATOM 1150 CE1 PHE A 86 16.242 7.401 7.158 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.099 8.522 5.048 1.00 0.00 C ATOM 1152 CZ PHE A 86 15.702 8.394 6.364 1.00 0.00 C ATOM 0 H PHE A 86 19.787 3.880 3.502 1.00 0.00 H new ATOM 0 HA PHE A 86 17.755 3.854 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.425 5.586 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.976 6.097 3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 86 17.592 5.756 7.254 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.347 7.764 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.933 7.304 8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 86 15.675 9.298 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 86 14.968 9.072 6.774 1.00 0.00 H new ATOM 1162 N ASN A 87 16.828 4.376 2.381 1.00 0.00 N ATOM 1163 CA ASN A 87 15.705 4.525 1.493 1.00 0.00 C ATOM 1164 C ASN A 87 14.886 3.282 1.478 1.00 0.00 C ATOM 1165 O ASN A 87 13.662 3.340 1.426 1.00 0.00 O ATOM 1166 CB ASN A 87 16.144 4.895 0.068 1.00 0.00 C ATOM 1167 CG ASN A 87 16.538 6.353 -0.082 1.00 0.00 C ATOM 1168 OD1 ASN A 87 15.694 7.194 -0.368 1.00 0.00 O ATOM 1169 ND2 ASN A 87 17.797 6.672 0.079 1.00 0.00 N ATOM 0 H ASN A 87 17.721 4.260 1.901 1.00 0.00 H new ATOM 0 HA ASN A 87 15.097 5.347 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.987 4.267 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.331 4.673 -0.624 1.00 0.00 H new ATOM 0 HD21 ASN A 87 18.096 7.641 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.479 5.952 0.317 1.00 0.00 H new ATOM 1176 N PHE A 88 15.552 2.150 1.585 1.00 0.00 N ATOM 1177 CA PHE A 88 14.861 0.888 1.542 1.00 0.00 C ATOM 1178 C PHE A 88 14.178 0.686 2.842 1.00 0.00 C ATOM 1179 O PHE A 88 13.004 0.406 2.872 1.00 0.00 O ATOM 1180 CB PHE A 88 15.792 -0.293 1.244 1.00 0.00 C ATOM 1181 CG PHE A 88 16.779 -0.037 0.152 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.450 0.717 -0.968 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.059 -0.513 0.271 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.392 0.992 -1.924 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.993 -0.256 -0.687 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.665 0.500 -1.775 1.00 0.00 C ATOM 0 H PHE A 88 16.563 2.083 1.701 1.00 0.00 H new ATOM 0 HA PHE A 88 14.142 0.922 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.333 -0.552 2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.187 -1.159 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.443 1.089 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.331 -1.100 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.136 1.590 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.993 -0.651 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.413 0.713 -2.525 1.00 0.00 H new ATOM 1196 N GLU A 89 14.897 0.934 3.926 1.00 0.00 N ATOM 1197 CA GLU A 89 14.339 0.786 5.234 1.00 0.00 C ATOM 1198 C GLU A 89 13.270 1.820 5.440 1.00 0.00 C ATOM 1199 O GLU A 89 12.277 1.568 6.139 1.00 0.00 O ATOM 1200 CB GLU A 89 15.400 0.832 6.340 1.00 0.00 C ATOM 1201 CG GLU A 89 16.414 -0.308 6.270 1.00 0.00 C ATOM 1202 CD GLU A 89 17.353 -0.319 7.449 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.380 0.379 7.425 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.064 -1.024 8.451 1.00 0.00 O ATOM 0 H GLU A 89 15.870 1.239 3.911 1.00 0.00 H new ATOM 0 HA GLU A 89 13.892 -0.206 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.931 1.782 6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.902 0.804 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.884 -1.259 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.992 -0.220 5.350 1.00 0.00 H new ATOM 1211 N ALA A 90 13.439 2.993 4.810 1.00 0.00 N ATOM 1212 CA ALA A 90 12.417 4.029 4.973 1.00 0.00 C ATOM 1213 C ALA A 90 11.145 3.634 4.249 1.00 0.00 C ATOM 1214 O ALA A 90 10.033 3.803 4.763 1.00 0.00 O ATOM 1215 CB ALA A 90 12.887 5.408 4.525 1.00 0.00 C ATOM 0 H ALA A 90 14.230 3.238 4.214 1.00 0.00 H new ATOM 0 HA ALA A 90 12.215 4.106 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.085 6.131 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.755 5.705 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.158 5.375 3.470 1.00 0.00 H new ATOM 1221 N ALA A 91 11.309 3.079 3.077 1.00 0.00 N ATOM 1222 CA ALA A 91 10.193 2.657 2.275 1.00 0.00 C ATOM 1223 C ALA A 91 9.526 1.432 2.856 1.00 0.00 C ATOM 1224 O ALA A 91 8.310 1.366 2.894 1.00 0.00 O ATOM 1225 CB ALA A 91 10.616 2.425 0.845 1.00 0.00 C ATOM 0 H ALA A 91 12.220 2.907 2.652 1.00 0.00 H new ATOM 0 HA ALA A 91 9.456 3.460 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.755 2.106 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.016 3.350 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.383 1.651 0.813 1.00 0.00 H new ATOM 1231 N LEU A 92 10.315 0.488 3.350 1.00 0.00 N ATOM 1232 CA LEU A 92 9.769 -0.730 3.951 1.00 0.00 C ATOM 1233 C LEU A 92 8.872 -0.367 5.111 1.00 0.00 C ATOM 1234 O LEU A 92 7.760 -0.878 5.224 1.00 0.00 O ATOM 1235 CB LEU A 92 10.868 -1.710 4.433 1.00 0.00 C ATOM 1236 CG LEU A 92 11.875 -2.236 3.391 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.843 -3.222 4.019 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.180 -2.862 2.199 1.00 0.00 C ATOM 0 H LEU A 92 11.334 0.538 3.349 1.00 0.00 H new ATOM 0 HA LEU A 92 9.201 -1.241 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.433 -1.216 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.374 -2.570 4.884 1.00 0.00 H new ATOM 0 HG LEU A 92 12.440 -1.376 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.542 -3.578 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.395 -2.730 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.288 -4.067 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.926 -3.219 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.567 -3.699 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.546 -2.119 1.716 1.00 0.00 H new ATOM 1250 N ALA A 93 9.326 0.575 5.918 1.00 0.00 N ATOM 1251 CA ALA A 93 8.581 1.010 7.065 1.00 0.00 C ATOM 1252 C ALA A 93 7.332 1.741 6.636 1.00 0.00 C ATOM 1253 O ALA A 93 6.279 1.555 7.217 1.00 0.00 O ATOM 1254 CB ALA A 93 9.436 1.880 7.962 1.00 0.00 C ATOM 0 H ALA A 93 10.218 1.052 5.790 1.00 0.00 H new ATOM 0 HA ALA A 93 8.283 0.131 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.851 2.198 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.303 1.312 8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.771 2.757 7.407 1.00 0.00 H new ATOM 1260 N THR A 94 7.439 2.506 5.558 1.00 0.00 N ATOM 1261 CA THR A 94 6.334 3.275 5.091 1.00 0.00 C ATOM 1262 C THR A 94 5.264 2.343 4.547 1.00 0.00 C ATOM 1263 O THR A 94 4.086 2.430 4.926 1.00 0.00 O ATOM 1264 CB THR A 94 6.778 4.304 4.025 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.767 5.185 4.602 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.596 5.129 3.523 1.00 0.00 C ATOM 0 H THR A 94 8.289 2.599 5.002 1.00 0.00 H new ATOM 0 HA THR A 94 5.918 3.840 5.925 1.00 0.00 H new ATOM 0 HB THR A 94 7.199 3.763 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.617 4.706 4.695 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.942 5.843 2.775 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.854 4.467 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.147 5.667 4.358 1.00 0.00 H new ATOM 1274 N GLY A 95 5.713 1.392 3.741 1.00 0.00 N ATOM 1275 CA GLY A 95 4.843 0.457 3.138 1.00 0.00 C ATOM 1276 C GLY A 95 4.170 -0.408 4.148 1.00 0.00 C ATOM 1277 O GLY A 95 2.989 -0.584 4.082 1.00 0.00 O ATOM 0 H GLY A 95 6.697 1.267 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.090 0.986 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.405 -0.167 2.443 1.00 0.00 H new ATOM 1281 N ASP A 96 4.922 -0.890 5.129 1.00 0.00 N ATOM 1282 CA ASP A 96 4.376 -1.809 6.134 1.00 0.00 C ATOM 1283 C ASP A 96 3.341 -1.135 7.012 1.00 0.00 C ATOM 1284 O ASP A 96 2.328 -1.735 7.343 1.00 0.00 O ATOM 1285 CB ASP A 96 5.476 -2.433 6.988 1.00 0.00 C ATOM 1286 CG ASP A 96 4.954 -3.458 7.984 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.447 -4.522 7.563 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.074 -3.239 9.202 1.00 0.00 O ATOM 0 H ASP A 96 5.909 -0.664 5.255 1.00 0.00 H new ATOM 0 HA ASP A 96 3.880 -2.610 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.207 -2.910 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.999 -1.644 7.529 1.00 0.00 H new ATOM 1293 N LEU A 97 3.569 0.125 7.345 1.00 0.00 N ATOM 1294 CA LEU A 97 2.630 0.867 8.183 1.00 0.00 C ATOM 1295 C LEU A 97 1.301 1.049 7.487 1.00 0.00 C ATOM 1296 O LEU A 97 0.253 0.747 8.045 1.00 0.00 O ATOM 1297 CB LEU A 97 3.196 2.214 8.635 1.00 0.00 C ATOM 1298 CG LEU A 97 4.432 2.145 9.526 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.848 3.532 9.985 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.183 1.228 10.709 1.00 0.00 C ATOM 0 H LEU A 97 4.389 0.656 7.052 1.00 0.00 H new ATOM 0 HA LEU A 97 2.468 0.268 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.441 2.800 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.415 2.755 9.169 1.00 0.00 H new ATOM 0 HG LEU A 97 5.254 1.730 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.731 3.456 10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.077 4.149 9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.035 3.988 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.075 1.190 11.334 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.346 1.608 11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.949 0.226 10.350 1.00 0.00 H new ATOM 1312 N LEU A 98 1.333 1.502 6.267 1.00 0.00 N ATOM 1313 CA LEU A 98 0.107 1.661 5.527 1.00 0.00 C ATOM 1314 C LEU A 98 -0.471 0.294 5.161 1.00 0.00 C ATOM 1315 O LEU A 98 -1.643 0.171 4.986 1.00 0.00 O ATOM 1316 CB LEU A 98 0.307 2.546 4.297 1.00 0.00 C ATOM 1317 CG LEU A 98 1.169 1.949 3.208 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.340 1.161 2.195 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.049 2.983 2.542 1.00 0.00 C ATOM 0 H LEU A 98 2.181 1.766 5.765 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.617 2.171 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.670 2.782 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.753 3.488 4.616 1.00 0.00 H new ATOM 0 HG LEU A 98 1.839 1.238 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.997 0.749 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.180 0.349 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.390 1.823 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.649 2.506 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.426 3.756 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.707 3.433 3.285 1.00 0.00 H new ATOM 1331 N LEU A 99 0.396 -0.721 5.033 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.008 -2.077 4.669 1.00 0.00 C ATOM 1333 C LEU A 99 -0.789 -2.682 5.801 1.00 0.00 C ATOM 1334 O LEU A 99 -1.824 -3.317 5.591 1.00 0.00 O ATOM 1335 CB LEU A 99 1.242 -2.934 4.283 1.00 0.00 C ATOM 1336 CG LEU A 99 1.061 -4.381 3.743 1.00 0.00 C ATOM 1337 CD1 LEU A 99 0.717 -5.374 4.846 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.014 -4.421 2.643 1.00 0.00 C ATOM 0 H LEU A 99 1.400 -0.619 5.181 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.654 -2.051 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.797 -2.375 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.877 -2.996 5.167 1.00 0.00 H new ATOM 0 HG LEU A 99 2.021 -4.684 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.601 -6.369 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.518 -5.389 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.215 -5.076 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.095 -5.443 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.941 -4.072 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.325 -3.776 1.821 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.324 -2.458 6.999 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.012 -2.946 8.141 1.00 0.00 C ATOM 1352 C LYS A 100 -2.287 -2.139 8.317 1.00 0.00 C ATOM 1353 O LYS A 100 -3.328 -2.669 8.741 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.115 -2.992 9.400 1.00 0.00 C ATOM 1355 CG LYS A 100 0.358 -1.645 9.928 1.00 0.00 C ATOM 1356 CD LYS A 100 1.549 -1.793 10.871 1.00 0.00 C ATOM 1357 CE LYS A 100 1.244 -2.675 12.064 1.00 0.00 C ATOM 1358 NZ LYS A 100 2.431 -2.855 12.925 1.00 0.00 N ATOM 0 H LYS A 100 0.531 -1.939 7.200 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.290 -3.989 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.662 -3.500 10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.761 -3.601 9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.634 -1.003 9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.461 -1.152 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.392 -2.211 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.854 -0.807 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.435 -2.234 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.894 -3.648 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.186 -3.464 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.194 -3.299 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.750 -1.929 13.275 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.231 -0.861 7.923 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.416 -0.022 8.010 1.00 0.00 C ATOM 1374 C ASP A 101 -4.429 -0.461 6.941 1.00 0.00 C ATOM 1375 O ASP A 101 -5.646 -0.426 7.152 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.058 1.454 7.856 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.249 2.370 8.021 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.680 2.609 9.171 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.774 2.879 7.009 1.00 0.00 O ATOM 0 H ASP A 101 -1.399 -0.402 7.552 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.865 -0.142 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.299 1.717 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.616 1.615 6.872 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.885 -0.915 5.818 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.622 -1.440 4.678 1.00 0.00 C ATOM 1386 C LEU A 102 -5.425 -2.654 5.105 1.00 0.00 C ATOM 1387 O LEU A 102 -6.613 -2.707 4.871 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.617 -1.754 3.517 1.00 0.00 C ATOM 1389 CG LEU A 102 -4.147 -2.230 2.140 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -3.048 -2.086 1.098 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.570 -3.688 2.180 1.00 0.00 C ATOM 0 H LEU A 102 -2.876 -0.927 5.672 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.334 -0.703 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.030 -0.852 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.929 -2.517 3.881 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.011 -1.616 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.419 -2.420 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.746 -1.041 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.190 -2.693 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.936 -3.988 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -3.716 -4.307 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.362 -3.817 2.917 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.775 -3.601 5.772 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.471 -4.798 6.267 1.00 0.00 C ATOM 1405 C LYS A 103 -6.555 -4.443 7.265 1.00 0.00 C ATOM 1406 O LYS A 103 -7.650 -5.001 7.222 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.514 -5.824 6.894 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.910 -6.843 5.932 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.020 -6.227 4.876 1.00 0.00 C ATOM 1410 CE LYS A 103 -2.415 -7.303 3.991 1.00 0.00 C ATOM 1411 NZ LYS A 103 -3.426 -7.993 3.156 1.00 0.00 N ATOM 0 H LYS A 103 -3.778 -3.571 5.984 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.929 -5.255 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.701 -5.285 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.050 -6.363 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.332 -7.570 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.716 -7.389 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.597 -5.531 4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.226 -5.652 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.661 -6.854 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.904 -8.036 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.977 -8.782 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.187 -8.359 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.825 -7.322 2.469 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.274 -3.481 8.121 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.209 -3.096 9.142 1.00 0.00 C ATOM 1427 C ALA A 104 -8.414 -2.430 8.527 1.00 0.00 C ATOM 1428 O ALA A 104 -9.569 -2.732 8.897 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.546 -2.190 10.157 1.00 0.00 C ATOM 0 H ALA A 104 -5.401 -2.954 8.124 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.545 -3.993 9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.270 -1.909 10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.711 -2.714 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.178 -1.293 9.659 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.168 -1.566 7.553 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.245 -0.878 6.923 1.00 0.00 C ATOM 1437 C LEU A 105 -10.011 -1.872 6.094 1.00 0.00 C ATOM 1438 O LEU A 105 -11.181 -1.821 6.052 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.787 0.344 6.077 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.359 0.079 4.621 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.527 0.260 3.651 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.192 0.936 4.216 1.00 0.00 C ATOM 0 H LEU A 105 -7.240 -1.338 7.197 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.886 -0.454 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.602 1.067 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.951 0.816 6.593 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.038 -0.961 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.188 0.065 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.325 -0.437 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.902 1.281 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.922 0.718 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.464 1.988 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.343 0.724 4.865 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.302 -2.807 5.479 1.00 0.00 N ATOM 1455 CA GLN A 106 -9.892 -3.828 4.648 1.00 0.00 C ATOM 1456 C GLN A 106 -10.857 -4.681 5.420 1.00 0.00 C ATOM 1457 O GLN A 106 -11.939 -4.925 4.947 1.00 0.00 O ATOM 1458 CB GLN A 106 -8.789 -4.631 3.916 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.253 -5.810 3.078 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.414 -7.094 3.870 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -8.701 -7.333 4.844 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -10.336 -7.916 3.473 1.00 0.00 N ATOM 0 H GLN A 106 -8.287 -2.873 5.549 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.493 -3.352 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.241 -3.946 3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.083 -4.998 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.205 -5.560 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.537 -5.977 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.909 -7.686 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.488 -8.792 3.973 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.488 -5.091 6.605 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.387 -5.885 7.433 1.00 0.00 C ATOM 1473 C LYS A 107 -12.589 -5.052 7.860 1.00 0.00 C ATOM 1474 O LYS A 107 -13.684 -5.561 7.966 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.661 -6.436 8.658 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.507 -7.379 8.341 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.984 -8.675 7.706 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.809 -9.579 7.377 1.00 0.00 C ATOM 1479 NZ LYS A 107 -9.247 -10.901 6.885 1.00 0.00 N ATOM 0 H LYS A 107 -9.579 -4.895 7.025 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.737 -6.729 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.279 -5.600 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.381 -6.962 9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.808 -6.882 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.962 -7.604 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.665 -9.189 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.545 -8.455 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.184 -9.101 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.192 -9.710 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.414 -11.486 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.822 -11.370 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.814 -10.780 6.022 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.360 -3.770 8.064 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.400 -2.816 8.450 1.00 0.00 C ATOM 1495 C ARG A 108 -14.355 -2.612 7.288 1.00 0.00 C ATOM 1496 O ARG A 108 -15.568 -2.658 7.432 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.766 -1.486 8.842 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.744 -0.455 9.367 1.00 0.00 C ATOM 1499 CD ARG A 108 -13.050 0.869 9.604 1.00 0.00 C ATOM 1500 NE ARG A 108 -12.616 1.509 8.348 1.00 0.00 N ATOM 1501 CZ ARG A 108 -11.524 2.273 8.199 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -10.702 2.484 9.223 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -11.276 2.830 7.023 1.00 0.00 N ATOM 0 H ARG A 108 -11.436 -3.348 7.967 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.951 -3.209 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.008 -1.670 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.253 -1.073 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.558 -0.322 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -14.189 -0.809 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.725 1.540 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.184 0.712 10.247 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.196 1.358 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.900 2.063 10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.874 3.067 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.913 2.676 6.241 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.448 3.413 6.899 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.775 -2.416 6.137 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.470 -2.220 4.918 1.00 0.00 C ATOM 1519 C VAL A 109 -15.239 -3.485 4.555 1.00 0.00 C ATOM 1520 O VAL A 109 -16.383 -3.433 4.103 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.463 -1.783 3.823 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.046 -1.850 2.456 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -12.984 -0.376 4.104 1.00 0.00 C ATOM 0 H VAL A 109 -12.761 -2.389 6.030 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.208 -1.423 5.015 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.626 -2.480 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.300 -1.534 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.353 -2.874 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.913 -1.192 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.276 -0.072 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.835 0.305 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.495 -0.346 5.078 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.609 -4.613 4.791 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.214 -5.904 4.597 1.00 0.00 C ATOM 1535 C GLN A 110 -16.371 -6.078 5.567 1.00 0.00 C ATOM 1536 O GLN A 110 -17.422 -6.617 5.222 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.149 -6.993 4.773 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.645 -8.412 4.673 1.00 0.00 C ATOM 1539 CD GLN A 110 -15.456 -8.694 3.408 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -15.262 -8.068 2.356 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -16.368 -9.620 3.499 1.00 0.00 N ATOM 0 H GLN A 110 -13.647 -4.656 5.128 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.616 -5.986 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.375 -6.844 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.677 -6.860 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.791 -9.089 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.260 -8.634 5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.504 -10.118 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.946 -9.847 2.690 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.185 -5.554 6.749 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.174 -5.600 7.808 1.00 0.00 C ATOM 1552 C ASP A 111 -18.411 -4.769 7.474 1.00 0.00 C ATOM 1553 O ASP A 111 -19.525 -5.122 7.871 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.556 -5.126 9.133 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.555 -4.966 10.250 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.871 -5.961 10.928 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -18.030 -3.835 10.479 1.00 0.00 O ATOM 0 H ASP A 111 -15.326 -5.072 7.014 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.496 -6.636 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.792 -5.839 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.054 -4.172 8.968 1.00 0.00 H new ATOM 1562 N SER A 112 -18.211 -3.703 6.710 1.00 0.00 N ATOM 1563 CA SER A 112 -19.259 -2.757 6.366 1.00 0.00 C ATOM 1564 C SER A 112 -20.458 -3.393 5.614 1.00 0.00 C ATOM 1565 O SER A 112 -21.573 -2.872 5.682 1.00 0.00 O ATOM 1566 CB SER A 112 -18.659 -1.589 5.590 1.00 0.00 C ATOM 1567 OG SER A 112 -17.617 -0.966 6.345 1.00 0.00 O ATOM 0 H SER A 112 -17.303 -3.470 6.307 1.00 0.00 H new ATOM 0 HA SER A 112 -19.682 -2.392 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.264 -1.943 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.436 -0.860 5.362 1.00 0.00 H new ATOM 0 HG SER A 112 -16.907 -1.618 6.523 1.00 0.00 H new ATOM 1573 N GLU A 113 -20.236 -4.493 4.903 1.00 0.00 N ATOM 1574 CA GLU A 113 -21.331 -5.160 4.210 1.00 0.00 C ATOM 1575 C GLU A 113 -21.915 -6.302 5.055 1.00 0.00 C ATOM 1576 O GLU A 113 -22.949 -6.093 5.715 1.00 0.00 O ATOM 1577 CB GLU A 113 -20.950 -5.624 2.789 1.00 0.00 C ATOM 1578 CG GLU A 113 -19.668 -6.430 2.689 1.00 0.00 C ATOM 1579 CD GLU A 113 -19.510 -7.093 1.345 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -19.018 -6.455 0.400 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -19.871 -8.274 1.223 1.00 0.00 O ATOM 1582 OXT GLU A 113 -21.317 -7.399 5.120 1.00 0.00 O ATOM 0 H GLU A 113 -19.324 -4.936 4.792 1.00 0.00 H new ATOM 0 HA GLU A 113 -22.116 -4.415 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -21.768 -6.223 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -20.857 -4.745 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.815 -5.776 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.658 -7.191 3.470 1.00 0.00 H new TER 1589 GLU A 113