USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 20 SER OG : rot 69:sc= 0.89 USER MOD Set 1.2: A 84 TYR OH : rot 164:sc= 1.89 USER MOD Single : A 2 SER OG : rot 85:sc= 1.25 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.01 K(o=1,f=-0.0072) USER MOD Single : A 17 THR OG1 : rot 110:sc= 0.545 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 51:sc= 0.381 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.02) USER MOD Single : A 35 THR OG1 : rot -80:sc= 1.17 USER MOD Single : A 39 ASN : amide:sc= 0.348 K(o=0.35,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc=-0.00258 (180deg=-0.144) USER MOD Single : A 60 ASN : amide:sc= 1.13 K(o=1.1,f=-0.021) USER MOD Single : A 62 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.598) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -74:sc= 1.47 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0115) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.0764 USER MOD Single : A 79 GLN : amide:sc= 0.445 X(o=0.45,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 44:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.800 9.553 -0.647 1.00 0.00 N ATOM 20 CA SER A 2 -8.945 9.081 0.399 1.00 0.00 C ATOM 21 C SER A 2 -9.682 8.535 1.573 1.00 0.00 C ATOM 22 O SER A 2 -9.139 7.749 2.348 1.00 0.00 O ATOM 23 CB SER A 2 -7.967 10.147 0.919 1.00 0.00 C ATOM 24 OG SER A 2 -6.860 10.306 0.044 1.00 0.00 O ATOM 0 HA SER A 2 -8.388 8.278 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.487 11.099 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.612 9.864 1.910 1.00 0.00 H new ATOM 0 HG SER A 2 -7.095 10.934 -0.671 1.00 0.00 H new ATOM 30 N GLN A 3 -10.971 8.864 1.769 1.00 0.00 N ATOM 31 CA GLN A 3 -11.764 8.221 2.770 1.00 0.00 C ATOM 32 C GLN A 3 -12.053 6.794 2.453 1.00 0.00 C ATOM 33 O GLN A 3 -11.897 5.897 3.281 1.00 0.00 O ATOM 34 CB GLN A 3 -13.059 9.006 3.039 1.00 0.00 C ATOM 35 CG GLN A 3 -13.903 8.419 4.172 1.00 0.00 C ATOM 36 CD GLN A 3 -14.983 9.390 4.628 1.00 0.00 C ATOM 37 OE1 GLN A 3 -15.772 9.906 3.838 1.00 0.00 O ATOM 38 NE2 GLN A 3 -15.038 9.653 5.961 1.00 0.00 N ATOM 0 H GLN A 3 -11.465 9.577 1.233 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.169 8.218 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.805 10.038 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.656 9.031 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.366 7.490 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.258 8.169 5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.372 9.212 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.745 10.291 6.326 1.00 0.00 H new ATOM 47 N LEU A 4 -12.401 6.513 1.185 1.00 0.00 N ATOM 48 CA LEU A 4 -12.615 5.201 0.658 1.00 0.00 C ATOM 49 C LEU A 4 -11.374 4.388 0.797 1.00 0.00 C ATOM 50 O LEU A 4 -11.384 3.257 1.280 1.00 0.00 O ATOM 51 CB LEU A 4 -12.902 5.203 -0.853 1.00 0.00 C ATOM 52 CG LEU A 4 -12.982 3.792 -1.460 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.088 2.922 -0.839 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.204 3.893 -2.979 1.00 0.00 C ATOM 0 H LEU A 4 -12.541 7.244 0.488 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.464 4.803 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.842 5.723 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.121 5.767 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.033 3.304 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.088 1.941 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.905 2.809 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.056 3.399 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.260 2.892 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.135 4.424 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.374 4.435 -3.433 1.00 0.00 H new ATOM 66 N PHE A 5 -10.249 4.988 0.367 1.00 0.00 N ATOM 67 CA PHE A 5 -8.923 4.458 0.449 1.00 0.00 C ATOM 68 C PHE A 5 -8.631 3.847 1.777 1.00 0.00 C ATOM 69 O PHE A 5 -8.187 2.702 1.844 1.00 0.00 O ATOM 70 CB PHE A 5 -7.971 5.611 0.093 1.00 0.00 C ATOM 71 CG PHE A 5 -6.525 5.321 0.306 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.969 5.497 1.552 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.754 4.850 -0.730 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.661 5.142 1.787 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.449 4.480 -0.509 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.914 4.637 0.748 1.00 0.00 C ATOM 0 H PHE A 5 -10.269 5.910 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.793 3.632 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.123 5.878 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.243 6.483 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.563 5.916 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.175 4.770 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.228 5.258 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.852 4.072 -1.311 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.886 4.358 0.923 1.00 0.00 H new ATOM 86 N GLU A 6 -8.911 4.547 2.890 1.00 0.00 N ATOM 87 CA GLU A 6 -8.613 4.045 4.195 1.00 0.00 C ATOM 88 C GLU A 6 -9.559 2.978 4.629 1.00 0.00 C ATOM 89 O GLU A 6 -9.144 1.985 5.224 1.00 0.00 O ATOM 90 CB GLU A 6 -8.503 5.134 5.275 1.00 0.00 C ATOM 91 CG GLU A 6 -7.081 5.686 5.386 1.00 0.00 C ATOM 92 CD GLU A 6 -6.904 6.614 6.579 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.851 6.129 7.741 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.844 7.858 6.386 1.00 0.00 O ATOM 0 H GLU A 6 -9.348 5.469 2.885 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.622 3.604 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.191 5.947 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.809 4.723 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.379 4.856 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.832 6.225 4.472 1.00 0.00 H new ATOM 101 N GLU A 7 -10.859 3.109 4.306 1.00 0.00 N ATOM 102 CA GLU A 7 -11.867 2.130 4.573 1.00 0.00 C ATOM 103 C GLU A 7 -11.575 0.819 3.926 1.00 0.00 C ATOM 104 O GLU A 7 -11.573 -0.236 4.558 1.00 0.00 O ATOM 105 CB GLU A 7 -13.220 2.695 4.108 1.00 0.00 C ATOM 106 CG GLU A 7 -14.335 1.671 3.890 1.00 0.00 C ATOM 107 CD GLU A 7 -15.714 2.312 3.860 1.00 0.00 C ATOM 108 OE1 GLU A 7 -16.186 2.747 4.944 1.00 0.00 O ATOM 109 OE2 GLU A 7 -16.358 2.344 2.778 1.00 0.00 O ATOM 0 H GLU A 7 -11.224 3.938 3.836 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.891 1.930 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.560 3.422 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.064 3.237 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.162 1.144 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.301 0.926 4.685 1.00 0.00 H new ATOM 116 N LYS A 8 -11.270 0.846 2.617 1.00 0.00 N ATOM 117 CA LYS A 8 -11.076 -0.314 1.804 1.00 0.00 C ATOM 118 C LYS A 8 -9.683 -0.838 1.871 1.00 0.00 C ATOM 119 O LYS A 8 -9.475 -2.038 1.694 1.00 0.00 O ATOM 120 CB LYS A 8 -11.561 -0.005 0.378 1.00 0.00 C ATOM 121 CG LYS A 8 -12.680 -0.916 -0.131 1.00 0.00 C ATOM 122 CD LYS A 8 -13.967 -0.838 0.693 1.00 0.00 C ATOM 123 CE LYS A 8 -15.164 -1.598 0.118 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.824 -0.825 -0.957 1.00 0.00 N ATOM 0 H LYS A 8 -11.153 1.718 2.101 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.677 -1.135 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.908 1.028 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.713 -0.079 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.906 -0.655 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.324 -1.946 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.762 -1.221 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.244 0.210 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.833 -2.560 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.881 -1.806 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.632 -1.365 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.160 0.082 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.145 -0.648 -1.724 1.00 0.00 H new ATOM 138 N ALA A 9 -8.658 -0.025 2.184 1.00 0.00 N ATOM 139 CA ALA A 9 -7.317 -0.505 2.314 1.00 0.00 C ATOM 140 C ALA A 9 -7.123 -1.414 3.479 1.00 0.00 C ATOM 141 O ALA A 9 -6.532 -2.490 3.411 1.00 0.00 O ATOM 142 CB ALA A 9 -6.306 0.630 2.550 1.00 0.00 C ATOM 0 H ALA A 9 -8.761 0.976 2.349 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.149 -1.023 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.304 0.211 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.334 1.323 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.563 1.161 3.467 1.00 0.00 H new ATOM 148 N LYS A 10 -7.661 -0.977 4.632 1.00 0.00 N ATOM 149 CA LYS A 10 -7.628 -1.695 5.868 1.00 0.00 C ATOM 150 C LYS A 10 -8.343 -3.002 5.826 1.00 0.00 C ATOM 151 O LYS A 10 -8.069 -3.885 6.636 1.00 0.00 O ATOM 152 CB LYS A 10 -8.269 -0.773 6.919 1.00 0.00 C ATOM 153 CG LYS A 10 -7.298 0.291 7.435 1.00 0.00 C ATOM 154 CD LYS A 10 -7.796 1.031 8.679 1.00 0.00 C ATOM 155 CE LYS A 10 -9.056 1.872 8.464 1.00 0.00 C ATOM 156 NZ LYS A 10 -9.367 2.626 9.700 1.00 0.00 N ATOM 0 H LYS A 10 -8.142 -0.080 4.705 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.594 -1.948 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.141 -0.284 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.624 -1.374 7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.343 -0.182 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.113 1.016 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.993 0.301 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.000 1.681 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.908 2.562 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.894 1.228 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.224 3.197 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.526 1.960 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.570 3.252 9.935 1.00 0.00 H new ATOM 170 N ALA A 11 -9.254 -3.187 4.853 1.00 0.00 N ATOM 171 CA ALA A 11 -9.861 -4.443 4.537 1.00 0.00 C ATOM 172 C ALA A 11 -8.934 -5.314 3.762 1.00 0.00 C ATOM 173 O ALA A 11 -8.617 -6.418 4.200 1.00 0.00 O ATOM 174 CB ALA A 11 -11.156 -4.225 3.736 1.00 0.00 C ATOM 0 H ALA A 11 -9.582 -2.425 4.259 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.096 -4.942 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.606 -5.190 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.854 -3.632 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.927 -3.698 2.810 1.00 0.00 H new ATOM 180 N VAL A 12 -8.426 -4.868 2.598 1.00 0.00 N ATOM 181 CA VAL A 12 -7.670 -5.675 1.691 1.00 0.00 C ATOM 182 C VAL A 12 -6.381 -6.165 2.254 1.00 0.00 C ATOM 183 O VAL A 12 -5.929 -7.260 1.925 1.00 0.00 O ATOM 184 CB VAL A 12 -7.475 -5.061 0.336 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.863 -4.919 -0.310 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.706 -3.730 0.375 1.00 0.00 C ATOM 0 H VAL A 12 -8.547 -3.908 2.277 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.303 -6.550 1.543 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.843 -5.712 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.760 -4.474 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.325 -5.902 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.490 -4.279 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.600 -3.341 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.254 -3.011 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.718 -3.893 0.806 1.00 0.00 H new ATOM 196 N ASN A 13 -5.778 -5.418 3.197 1.00 0.00 N ATOM 197 CA ASN A 13 -4.556 -5.823 3.820 1.00 0.00 C ATOM 198 C ASN A 13 -4.691 -6.950 4.784 1.00 0.00 C ATOM 199 O ASN A 13 -3.688 -7.561 5.150 1.00 0.00 O ATOM 200 CB ASN A 13 -3.878 -4.623 4.501 1.00 0.00 C ATOM 201 CG ASN A 13 -3.171 -3.770 3.458 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.079 -4.110 3.002 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.786 -2.629 3.047 1.00 0.00 N ATOM 0 H ASN A 13 -6.141 -4.525 3.530 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.933 -6.203 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.621 -4.026 5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.162 -4.972 5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.343 -2.035 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.691 -2.368 3.439 1.00 0.00 H new ATOM 210 N GLU A 14 -5.915 -7.302 5.217 1.00 0.00 N ATOM 211 CA GLU A 14 -6.144 -8.354 6.159 1.00 0.00 C ATOM 212 C GLU A 14 -7.240 -9.292 5.786 1.00 0.00 C ATOM 213 O GLU A 14 -7.652 -10.126 6.590 1.00 0.00 O ATOM 214 CB GLU A 14 -6.389 -7.790 7.569 1.00 0.00 C ATOM 215 CG GLU A 14 -7.741 -7.113 7.803 1.00 0.00 C ATOM 216 CD GLU A 14 -7.919 -6.649 9.241 1.00 0.00 C ATOM 217 OE1 GLU A 14 -6.932 -6.564 10.020 1.00 0.00 O ATOM 218 OE2 GLU A 14 -9.091 -6.400 9.630 1.00 0.00 O ATOM 0 H GLU A 14 -6.770 -6.842 4.903 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.227 -8.944 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.286 -8.604 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.602 -7.069 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.836 -6.258 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.541 -7.808 7.547 1.00 0.00 H new ATOM 225 N LEU A 15 -7.746 -9.224 4.541 1.00 0.00 N ATOM 226 CA LEU A 15 -8.839 -9.985 4.022 1.00 0.00 C ATOM 227 C LEU A 15 -8.506 -11.435 3.932 1.00 0.00 C ATOM 228 O LEU A 15 -7.330 -11.754 3.763 1.00 0.00 O ATOM 229 CB LEU A 15 -9.195 -9.395 2.647 1.00 0.00 C ATOM 230 CG LEU A 15 -10.658 -9.086 2.287 1.00 0.00 C ATOM 231 CD1 LEU A 15 -11.462 -8.401 3.404 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.709 -8.217 1.018 1.00 0.00 C ATOM 0 H LEU A 15 -7.359 -8.587 3.845 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.696 -9.921 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.634 -8.467 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.817 -10.085 1.893 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.131 -10.055 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.481 -8.222 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.483 -9.044 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.993 -7.451 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.747 -8.001 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.176 -7.283 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.240 -8.751 0.192 1.00 0.00 H new ATOM 244 N PRO A 16 -9.396 -12.377 4.034 1.00 0.00 N ATOM 245 CA PRO A 16 -9.060 -13.769 4.107 1.00 0.00 C ATOM 246 C PRO A 16 -8.664 -14.313 2.778 1.00 0.00 C ATOM 247 O PRO A 16 -8.107 -15.406 2.684 1.00 0.00 O ATOM 248 CB PRO A 16 -10.366 -14.402 4.583 1.00 0.00 C ATOM 249 CG PRO A 16 -11.466 -13.559 3.917 1.00 0.00 C ATOM 250 CD PRO A 16 -10.827 -12.162 3.873 1.00 0.00 C ATOM 0 HA PRO A 16 -8.209 -13.966 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.432 -15.448 4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.448 -14.375 5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.712 -13.925 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.390 -13.566 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.044 -11.662 2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.219 -11.527 4.667 1.00 0.00 H new ATOM 258 N THR A 17 -8.956 -13.568 1.698 1.00 0.00 N ATOM 259 CA THR A 17 -8.501 -13.824 0.366 1.00 0.00 C ATOM 260 C THR A 17 -7.451 -12.781 0.184 1.00 0.00 C ATOM 261 O THR A 17 -7.662 -11.697 -0.355 1.00 0.00 O ATOM 262 CB THR A 17 -9.602 -13.690 -0.642 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.807 -14.289 -0.190 1.00 0.00 O ATOM 264 CG2 THR A 17 -9.245 -14.359 -1.981 1.00 0.00 C ATOM 0 H THR A 17 -9.545 -12.737 1.758 1.00 0.00 H new ATOM 0 HA THR A 17 -8.135 -14.841 0.223 1.00 0.00 H new ATOM 0 HB THR A 17 -9.736 -12.617 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.465 -13.590 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.072 -14.237 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.349 -13.894 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.060 -15.421 -1.819 1.00 0.00 H new ATOM 272 N LYS A 18 -6.274 -13.048 0.778 1.00 0.00 N ATOM 273 CA LYS A 18 -5.178 -12.136 0.898 1.00 0.00 C ATOM 274 C LYS A 18 -4.638 -11.675 -0.411 1.00 0.00 C ATOM 275 O LYS A 18 -4.759 -12.434 -1.371 1.00 0.00 O ATOM 276 CB LYS A 18 -4.075 -12.781 1.754 1.00 0.00 C ATOM 277 CG LYS A 18 -4.592 -13.310 3.093 1.00 0.00 C ATOM 278 CD LYS A 18 -3.502 -13.888 3.997 1.00 0.00 C ATOM 279 CE LYS A 18 -4.105 -14.678 5.161 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.103 -14.930 6.220 1.00 0.00 N ATOM 0 H LYS A 18 -6.076 -13.955 1.200 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.555 -11.238 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.622 -13.600 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.290 -12.048 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.096 -12.501 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.339 -14.081 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.849 -14.537 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.883 -13.080 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.947 -14.127 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.496 -15.627 4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.543 -15.467 6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.311 -15.477 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.749 -14.023 6.586 1.00 0.00 H new ATOM 294 N PRO A 19 -4.069 -10.519 -0.587 1.00 0.00 N ATOM 295 CA PRO A 19 -3.789 -9.979 -1.886 1.00 0.00 C ATOM 296 C PRO A 19 -2.806 -10.789 -2.658 1.00 0.00 C ATOM 297 O PRO A 19 -1.949 -11.422 -2.043 1.00 0.00 O ATOM 298 CB PRO A 19 -3.216 -8.588 -1.624 1.00 0.00 C ATOM 299 CG PRO A 19 -3.810 -8.190 -0.263 1.00 0.00 C ATOM 300 CD PRO A 19 -3.842 -9.541 0.466 1.00 0.00 C ATOM 0 HA PRO A 19 -4.696 -9.969 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.127 -8.604 -1.594 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.503 -7.885 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.191 -7.459 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.804 -7.754 -0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.905 -9.732 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.636 -9.570 1.213 1.00 0.00 H new ATOM 308 N SER A 20 -2.857 -10.833 -4.002 1.00 0.00 N ATOM 309 CA SER A 20 -1.955 -11.658 -4.743 1.00 0.00 C ATOM 310 C SER A 20 -0.559 -11.138 -4.720 1.00 0.00 C ATOM 311 O SER A 20 -0.317 -9.971 -4.416 1.00 0.00 O ATOM 312 CB SER A 20 -2.333 -11.876 -6.218 1.00 0.00 C ATOM 313 OG SER A 20 -3.544 -12.605 -6.360 1.00 0.00 O ATOM 0 H SER A 20 -3.517 -10.302 -4.571 1.00 0.00 H new ATOM 0 HA SER A 20 -2.028 -12.614 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.433 -10.910 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.528 -12.410 -6.722 1.00 0.00 H new ATOM 0 HG SER A 20 -4.295 -12.055 -6.052 1.00 0.00 H new ATOM 319 N THR A 21 0.449 -11.976 -5.020 1.00 0.00 N ATOM 320 CA THR A 21 1.838 -11.662 -4.879 1.00 0.00 C ATOM 321 C THR A 21 2.299 -10.458 -5.626 1.00 0.00 C ATOM 322 O THR A 21 2.943 -9.579 -5.056 1.00 0.00 O ATOM 323 CB THR A 21 2.727 -12.851 -5.096 1.00 0.00 C ATOM 324 OG1 THR A 21 4.082 -12.583 -4.771 1.00 0.00 O ATOM 325 CG2 THR A 21 2.693 -13.392 -6.535 1.00 0.00 C ATOM 0 H THR A 21 0.288 -12.918 -5.378 1.00 0.00 H new ATOM 0 HA THR A 21 1.935 -11.375 -3.832 1.00 0.00 H new ATOM 0 HB THR A 21 2.319 -13.605 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.621 -13.387 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.360 -14.251 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.677 -13.696 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.019 -12.613 -7.224 1.00 0.00 H new ATOM 333 N ASP A 22 1.952 -10.319 -6.918 1.00 0.00 N ATOM 334 CA ASP A 22 2.332 -9.202 -7.726 1.00 0.00 C ATOM 335 C ASP A 22 1.513 -7.989 -7.442 1.00 0.00 C ATOM 336 O ASP A 22 1.962 -6.855 -7.599 1.00 0.00 O ATOM 337 CB ASP A 22 2.188 -9.566 -9.213 1.00 0.00 C ATOM 338 CG ASP A 22 3.072 -10.759 -9.547 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.312 -10.586 -9.681 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.523 -11.883 -9.709 1.00 0.00 O ATOM 0 H ASP A 22 1.388 -11.007 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 22 3.369 -8.969 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.148 -9.800 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.465 -8.713 -9.833 1.00 0.00 H new ATOM 345 N GLU A 23 0.275 -8.192 -6.959 1.00 0.00 N ATOM 346 CA GLU A 23 -0.626 -7.162 -6.544 1.00 0.00 C ATOM 347 C GLU A 23 -0.118 -6.482 -5.320 1.00 0.00 C ATOM 348 O GLU A 23 0.045 -5.262 -5.312 1.00 0.00 O ATOM 349 CB GLU A 23 -2.034 -7.703 -6.240 1.00 0.00 C ATOM 350 CG GLU A 23 -2.786 -8.188 -7.482 1.00 0.00 C ATOM 351 CD GLU A 23 -4.078 -8.909 -7.125 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.348 -9.173 -5.923 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.822 -9.263 -8.079 1.00 0.00 O ATOM 0 H GLU A 23 -0.119 -9.127 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.690 -6.460 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.952 -8.526 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.618 -6.921 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.012 -7.336 -8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.144 -8.857 -8.055 1.00 0.00 H new ATOM 360 N LEU A 24 0.199 -7.236 -4.252 1.00 0.00 N ATOM 361 CA LEU A 24 0.700 -6.783 -2.990 1.00 0.00 C ATOM 362 C LEU A 24 1.838 -5.823 -3.030 1.00 0.00 C ATOM 363 O LEU A 24 1.952 -4.949 -2.171 1.00 0.00 O ATOM 364 CB LEU A 24 1.109 -8.034 -2.194 1.00 0.00 C ATOM 365 CG LEU A 24 1.424 -7.815 -0.705 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.246 -7.157 0.033 1.00 0.00 C ATOM 367 CD2 LEU A 24 1.752 -9.172 -0.061 1.00 0.00 C ATOM 0 H LEU A 24 0.095 -8.250 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.104 -6.210 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.306 -8.767 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.987 -8.472 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 24 2.278 -7.142 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.506 -7.018 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.029 -6.189 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.633 -7.797 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.977 -9.028 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.896 -9.839 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.616 -9.612 -0.559 1.00 0.00 H new ATOM 379 N LEU A 25 2.710 -5.893 -4.051 1.00 0.00 N ATOM 380 CA LEU A 25 3.752 -4.946 -4.304 1.00 0.00 C ATOM 381 C LEU A 25 3.268 -3.574 -4.624 1.00 0.00 C ATOM 382 O LEU A 25 3.680 -2.577 -4.033 1.00 0.00 O ATOM 383 CB LEU A 25 4.556 -5.458 -5.512 1.00 0.00 C ATOM 384 CG LEU A 25 5.271 -6.797 -5.267 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.894 -7.262 -6.594 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.321 -6.701 -4.147 1.00 0.00 C ATOM 0 H LEU A 25 2.687 -6.649 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 25 4.341 -4.864 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.883 -5.568 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.297 -4.707 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 25 4.544 -7.533 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.407 -8.212 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.109 -7.389 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.608 -6.516 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.798 -7.672 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.074 -5.961 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.836 -6.403 -3.218 1.00 0.00 H new ATOM 398 N GLU A 26 2.341 -3.469 -5.592 1.00 0.00 N ATOM 399 CA GLU A 26 1.769 -2.231 -6.024 1.00 0.00 C ATOM 400 C GLU A 26 0.692 -1.752 -5.113 1.00 0.00 C ATOM 401 O GLU A 26 0.525 -0.559 -4.864 1.00 0.00 O ATOM 402 CB GLU A 26 1.272 -2.400 -7.470 1.00 0.00 C ATOM 403 CG GLU A 26 0.909 -1.091 -8.172 1.00 0.00 C ATOM 404 CD GLU A 26 0.893 -1.285 -9.682 1.00 0.00 C ATOM 405 OE1 GLU A 26 1.977 -1.571 -10.258 1.00 0.00 O ATOM 406 OE2 GLU A 26 -0.195 -1.176 -10.308 1.00 0.00 O ATOM 0 H GLU A 26 1.975 -4.278 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 26 2.535 -1.456 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.044 -2.907 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.397 -3.051 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.068 -0.748 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.629 -0.317 -7.906 1.00 0.00 H new ATOM 413 N LEU A 27 -0.064 -2.679 -4.499 1.00 0.00 N ATOM 414 CA LEU A 27 -1.063 -2.398 -3.515 1.00 0.00 C ATOM 415 C LEU A 27 -0.459 -1.979 -2.219 1.00 0.00 C ATOM 416 O LEU A 27 -1.075 -1.211 -1.481 1.00 0.00 O ATOM 417 CB LEU A 27 -2.043 -3.571 -3.345 1.00 0.00 C ATOM 418 CG LEU A 27 -3.210 -3.629 -4.346 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.200 -2.473 -4.126 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.795 -3.681 -5.826 1.00 0.00 C ATOM 0 H LEU A 27 0.026 -3.675 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.645 -1.552 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.480 -4.502 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.457 -3.529 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.695 -4.582 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.011 -2.546 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.608 -2.531 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.683 -1.522 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.686 -3.720 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.216 -2.791 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.188 -4.569 -6.003 1.00 0.00 H new ATOM 432 N TYR A 28 0.780 -2.387 -1.896 1.00 0.00 N ATOM 433 CA TYR A 28 1.617 -1.781 -0.906 1.00 0.00 C ATOM 434 C TYR A 28 1.874 -0.357 -1.261 1.00 0.00 C ATOM 435 O TYR A 28 1.542 0.525 -0.471 1.00 0.00 O ATOM 436 CB TYR A 28 2.929 -2.558 -0.705 1.00 0.00 C ATOM 437 CG TYR A 28 4.018 -1.921 0.088 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.835 -0.979 -0.491 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.297 -2.324 1.373 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.868 -0.395 0.203 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.392 -1.829 2.039 1.00 0.00 C ATOM 442 CZ TYR A 28 6.173 -0.855 1.462 1.00 0.00 C ATOM 443 OH TYR A 28 7.288 -0.350 2.163 1.00 0.00 O ATOM 0 H TYR A 28 1.223 -3.185 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 28 1.091 -1.813 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.683 -3.507 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.330 -2.792 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.661 -0.690 -1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.649 -3.036 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.433 0.415 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.641 -2.206 3.020 1.00 0.00 H new ATOM 0 HH TYR A 28 7.261 0.630 2.158 1.00 0.00 H new ATOM 453 N ALA A 29 2.440 -0.078 -2.448 1.00 0.00 N ATOM 454 CA ALA A 29 2.850 1.223 -2.878 1.00 0.00 C ATOM 455 C ALA A 29 1.803 2.269 -2.710 1.00 0.00 C ATOM 456 O ALA A 29 2.017 3.270 -2.026 1.00 0.00 O ATOM 457 CB ALA A 29 3.332 1.170 -4.338 1.00 0.00 C ATOM 0 H ALA A 29 2.621 -0.799 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 29 3.673 1.517 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.642 2.166 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.176 0.485 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.520 0.822 -4.977 1.00 0.00 H new ATOM 463 N LEU A 30 0.590 2.039 -3.245 1.00 0.00 N ATOM 464 CA LEU A 30 -0.517 2.926 -3.071 1.00 0.00 C ATOM 465 C LEU A 30 -1.037 3.074 -1.682 1.00 0.00 C ATOM 466 O LEU A 30 -1.366 4.176 -1.247 1.00 0.00 O ATOM 467 CB LEU A 30 -1.687 2.461 -3.952 1.00 0.00 C ATOM 468 CG LEU A 30 -1.541 2.929 -5.411 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.088 1.820 -6.374 1.00 0.00 C ATOM 470 CD2 LEU A 30 -2.891 3.514 -5.861 1.00 0.00 C ATOM 0 H LEU A 30 0.374 1.218 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.120 3.901 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.748 1.373 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.622 2.843 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.752 3.680 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.007 2.225 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.117 1.438 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.817 1.010 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.814 3.854 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.662 2.747 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.154 4.356 -5.221 1.00 0.00 H new ATOM 482 N TYR A 31 -1.138 1.975 -0.913 1.00 0.00 N ATOM 483 CA TYR A 31 -1.583 1.991 0.446 1.00 0.00 C ATOM 484 C TYR A 31 -0.670 2.796 1.306 1.00 0.00 C ATOM 485 O TYR A 31 -1.061 3.683 2.064 1.00 0.00 O ATOM 486 CB TYR A 31 -1.722 0.565 1.005 1.00 0.00 C ATOM 487 CG TYR A 31 -2.081 0.565 2.451 1.00 0.00 C ATOM 488 CD1 TYR A 31 -3.137 1.301 2.934 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.239 -0.066 3.337 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.435 1.286 4.276 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.487 -0.018 4.688 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.606 0.631 5.156 1.00 0.00 C ATOM 493 OH TYR A 31 -2.886 0.706 6.537 1.00 0.00 O ATOM 0 H TYR A 31 -0.901 1.042 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.566 2.461 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.485 0.028 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.784 0.027 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.735 1.893 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.377 -0.603 2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.320 1.788 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.805 -0.489 5.381 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.215 0.193 7.035 1.00 0.00 H new ATOM 503 N LYS A 32 0.644 2.523 1.217 1.00 0.00 N ATOM 504 CA LYS A 32 1.677 3.289 1.840 1.00 0.00 C ATOM 505 C LYS A 32 1.721 4.703 1.369 1.00 0.00 C ATOM 506 O LYS A 32 1.961 5.607 2.167 1.00 0.00 O ATOM 507 CB LYS A 32 3.018 2.547 1.713 1.00 0.00 C ATOM 508 CG LYS A 32 3.037 1.151 2.338 1.00 0.00 C ATOM 509 CD LYS A 32 2.598 1.061 3.801 1.00 0.00 C ATOM 510 CE LYS A 32 3.362 2.006 4.731 1.00 0.00 C ATOM 511 NZ LYS A 32 3.070 1.704 6.149 1.00 0.00 N ATOM 0 H LYS A 32 1.002 1.730 0.685 1.00 0.00 H new ATOM 0 HA LYS A 32 1.450 3.378 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.271 2.461 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.797 3.150 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.392 0.502 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.049 0.754 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.533 1.284 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.731 0.037 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.433 1.914 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.089 3.038 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.600 2.358 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.051 1.815 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.354 0.726 6.361 1.00 0.00 H new ATOM 525 N GLN A 33 1.398 4.980 0.093 1.00 0.00 N ATOM 526 CA GLN A 33 1.330 6.309 -0.431 1.00 0.00 C ATOM 527 C GLN A 33 0.348 7.190 0.261 1.00 0.00 C ATOM 528 O GLN A 33 0.732 8.221 0.809 1.00 0.00 O ATOM 529 CB GLN A 33 0.934 6.372 -1.916 1.00 0.00 C ATOM 530 CG GLN A 33 2.113 6.271 -2.886 1.00 0.00 C ATOM 531 CD GLN A 33 1.668 5.917 -4.297 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.179 5.004 -4.944 1.00 0.00 O ATOM 533 NE2 GLN A 33 0.648 6.652 -4.817 1.00 0.00 N ATOM 0 H GLN A 33 1.178 4.259 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 33 2.351 6.658 -0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.234 5.564 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.406 7.308 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.649 7.220 -2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.813 5.516 -2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.233 7.406 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.299 6.449 -5.753 1.00 0.00 H new ATOM 542 N ALA A 34 -0.954 6.850 0.252 1.00 0.00 N ATOM 543 CA ALA A 34 -1.912 7.683 0.907 1.00 0.00 C ATOM 544 C ALA A 34 -2.115 7.423 2.360 1.00 0.00 C ATOM 545 O ALA A 34 -2.763 8.245 3.005 1.00 0.00 O ATOM 546 CB ALA A 34 -3.235 7.834 0.138 1.00 0.00 C ATOM 0 H ALA A 34 -1.336 6.018 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.429 8.660 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.910 8.480 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.039 8.275 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.695 6.854 0.009 1.00 0.00 H new ATOM 552 N THR A 35 -1.549 6.371 2.981 1.00 0.00 N ATOM 553 CA THR A 35 -1.469 6.352 4.408 1.00 0.00 C ATOM 554 C THR A 35 -0.479 7.343 4.916 1.00 0.00 C ATOM 555 O THR A 35 -0.818 8.214 5.716 1.00 0.00 O ATOM 556 CB THR A 35 -1.216 5.053 5.114 1.00 0.00 C ATOM 557 OG1 THR A 35 -0.196 4.266 4.517 1.00 0.00 O ATOM 558 CG2 THR A 35 -2.513 4.227 5.111 1.00 0.00 C ATOM 0 H THR A 35 -1.157 5.555 2.510 1.00 0.00 H new ATOM 0 HA THR A 35 -2.501 6.601 4.656 1.00 0.00 H new ATOM 0 HB THR A 35 -0.885 5.307 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.563 3.786 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.342 3.279 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.298 4.780 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.820 4.035 4.083 1.00 0.00 H new ATOM 566 N VAL A 36 0.787 7.286 4.464 1.00 0.00 N ATOM 567 CA VAL A 36 1.800 8.197 4.898 1.00 0.00 C ATOM 568 C VAL A 36 1.600 9.554 4.314 1.00 0.00 C ATOM 569 O VAL A 36 1.455 10.550 5.021 1.00 0.00 O ATOM 570 CB VAL A 36 3.166 7.683 4.555 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.254 8.589 5.156 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.323 6.245 5.079 1.00 0.00 C ATOM 0 H VAL A 36 1.112 6.596 3.786 1.00 0.00 H new ATOM 0 HA VAL A 36 1.720 8.279 5.982 1.00 0.00 H new ATOM 0 HB VAL A 36 3.281 7.686 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.238 8.198 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.147 9.598 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.149 8.613 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.317 5.873 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.194 6.236 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.570 5.606 4.619 1.00 0.00 H new ATOM 582 N GLY A 37 1.579 9.649 2.973 1.00 0.00 N ATOM 583 CA GLY A 37 1.453 10.852 2.210 1.00 0.00 C ATOM 584 C GLY A 37 2.762 11.376 1.728 1.00 0.00 C ATOM 585 O GLY A 37 2.824 12.377 1.015 1.00 0.00 O ATOM 0 H GLY A 37 1.656 8.823 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.805 10.666 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.966 11.613 2.820 1.00 0.00 H new ATOM 589 N ASP A 38 3.841 10.667 2.103 1.00 0.00 N ATOM 590 CA ASP A 38 5.193 10.914 1.709 1.00 0.00 C ATOM 591 C ASP A 38 5.788 9.561 1.522 1.00 0.00 C ATOM 592 O ASP A 38 5.223 8.565 1.972 1.00 0.00 O ATOM 593 CB ASP A 38 5.957 11.609 2.849 1.00 0.00 C ATOM 594 CG ASP A 38 5.377 12.981 3.163 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.510 13.893 2.304 1.00 0.00 O ATOM 596 OD2 ASP A 38 4.827 13.175 4.279 1.00 0.00 O ATOM 0 H ASP A 38 3.762 9.864 2.726 1.00 0.00 H new ATOM 0 HA ASP A 38 5.243 11.542 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.922 10.986 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.007 11.712 2.573 1.00 0.00 H new ATOM 601 N ASN A 39 6.988 9.452 0.924 1.00 0.00 N ATOM 602 CA ASN A 39 7.883 8.384 1.245 1.00 0.00 C ATOM 603 C ASN A 39 8.277 8.329 2.682 1.00 0.00 C ATOM 604 O ASN A 39 8.535 9.343 3.327 1.00 0.00 O ATOM 605 CB ASN A 39 9.121 8.331 0.333 1.00 0.00 C ATOM 606 CG ASN A 39 10.012 9.564 0.392 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.670 10.629 0.902 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.233 9.427 -0.191 1.00 0.00 N ATOM 0 H ASN A 39 7.338 10.102 0.220 1.00 0.00 H new ATOM 0 HA ASN A 39 7.295 7.487 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.715 7.458 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.791 8.188 -0.696 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.881 10.215 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.501 8.536 -0.610 1.00 0.00 H new ATOM 615 N ASP A 40 8.314 7.126 3.284 1.00 0.00 N ATOM 616 CA ASP A 40 8.507 6.984 4.693 1.00 0.00 C ATOM 617 C ASP A 40 9.803 6.336 5.041 1.00 0.00 C ATOM 618 O ASP A 40 10.798 7.011 5.300 1.00 0.00 O ATOM 619 CB ASP A 40 7.292 6.289 5.330 1.00 0.00 C ATOM 620 CG ASP A 40 7.039 6.694 6.775 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.605 7.719 7.241 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.266 5.974 7.460 1.00 0.00 O ATOM 0 H ASP A 40 8.209 6.242 2.787 1.00 0.00 H new ATOM 0 HA ASP A 40 8.577 7.983 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.405 6.515 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.438 5.210 5.285 1.00 0.00 H new ATOM 627 N LYS A 41 9.859 4.993 5.079 1.00 0.00 N ATOM 628 CA LYS A 41 10.968 4.258 5.603 1.00 0.00 C ATOM 629 C LYS A 41 12.035 4.079 4.578 1.00 0.00 C ATOM 630 O LYS A 41 12.094 3.061 3.890 1.00 0.00 O ATOM 631 CB LYS A 41 10.520 2.851 6.033 1.00 0.00 C ATOM 632 CG LYS A 41 9.402 2.822 7.077 1.00 0.00 C ATOM 633 CD LYS A 41 8.991 1.394 7.438 1.00 0.00 C ATOM 634 CE LYS A 41 8.518 0.580 6.232 1.00 0.00 C ATOM 635 NZ LYS A 41 8.089 -0.774 6.647 1.00 0.00 N ATOM 0 H LYS A 41 9.106 4.398 4.733 1.00 0.00 H new ATOM 0 HA LYS A 41 11.352 4.827 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.187 2.306 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.383 2.317 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.732 3.342 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.536 3.363 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.836 0.886 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.193 1.429 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.691 1.094 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.323 0.503 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.772 -1.309 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.887 -1.269 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.306 -0.697 7.327 1.00 0.00 H new ATOM 649 N GLU A 42 12.959 5.047 4.447 1.00 0.00 N ATOM 650 CA GLU A 42 13.973 5.057 3.438 1.00 0.00 C ATOM 651 C GLU A 42 15.130 4.181 3.771 1.00 0.00 C ATOM 652 O GLU A 42 16.301 4.559 3.768 1.00 0.00 O ATOM 653 CB GLU A 42 14.369 6.519 3.167 1.00 0.00 C ATOM 654 CG GLU A 42 15.122 6.728 1.852 1.00 0.00 C ATOM 655 CD GLU A 42 15.632 8.157 1.737 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.606 8.505 2.457 1.00 0.00 O ATOM 657 OE2 GLU A 42 15.081 8.937 0.915 1.00 0.00 O ATOM 0 H GLU A 42 13.002 5.855 5.068 1.00 0.00 H new ATOM 0 HA GLU A 42 13.576 4.624 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.468 7.133 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.990 6.875 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.960 6.033 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.464 6.504 1.012 1.00 0.00 H new ATOM 664 N LYS A 43 14.803 2.912 4.073 1.00 0.00 N ATOM 665 CA LYS A 43 15.686 1.798 4.229 1.00 0.00 C ATOM 666 C LYS A 43 14.914 0.533 4.075 1.00 0.00 C ATOM 667 O LYS A 43 14.636 -0.155 5.057 1.00 0.00 O ATOM 668 CB LYS A 43 16.541 1.835 5.508 1.00 0.00 C ATOM 669 CG LYS A 43 15.966 2.493 6.765 1.00 0.00 C ATOM 670 CD LYS A 43 14.825 1.735 7.446 1.00 0.00 C ATOM 671 CE LYS A 43 14.507 2.247 8.853 1.00 0.00 C ATOM 672 NZ LYS A 43 15.586 1.863 9.790 1.00 0.00 N ATOM 0 H LYS A 43 13.830 2.643 4.221 1.00 0.00 H new ATOM 0 HA LYS A 43 16.430 1.857 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.797 0.807 5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 43 17.473 2.345 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.773 2.623 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.610 3.489 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.930 1.811 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.084 0.678 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.397 3.331 8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.557 1.835 9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.261 2.000 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.834 0.864 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.423 2.456 9.617 1.00 0.00 H new ATOM 878 N TRP A 55 9.190 -1.059 -2.004 1.00 0.00 N ATOM 879 CA TRP A 55 9.564 0.239 -1.533 1.00 0.00 C ATOM 880 C TRP A 55 9.920 1.173 -2.638 1.00 0.00 C ATOM 881 O TRP A 55 9.547 2.344 -2.609 1.00 0.00 O ATOM 882 CB TRP A 55 10.666 0.157 -0.463 1.00 0.00 C ATOM 883 CG TRP A 55 10.727 1.386 0.414 1.00 0.00 C ATOM 884 CD1 TRP A 55 9.979 1.676 1.518 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.432 2.597 0.077 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.015 3.021 1.770 1.00 0.00 N ATOM 887 CE2 TRP A 55 10.945 3.592 0.932 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.364 2.881 -0.883 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.381 4.883 0.812 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.809 4.179 -0.972 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.317 5.169 -0.154 1.00 0.00 C ATOM 0 HA TRP A 55 8.681 0.664 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.495 -0.720 0.161 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.630 0.017 -0.952 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.438 0.950 2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.450 3.515 2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.736 2.114 -1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.000 5.658 1.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.564 4.427 -1.703 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.670 6.183 -0.272 1.00 0.00 H new ATOM 902 N GLU A 56 10.585 0.716 -3.714 1.00 0.00 N ATOM 903 CA GLU A 56 10.845 1.514 -4.871 1.00 0.00 C ATOM 904 C GLU A 56 9.603 1.817 -5.637 1.00 0.00 C ATOM 905 O GLU A 56 9.453 2.902 -6.196 1.00 0.00 O ATOM 906 CB GLU A 56 11.851 0.876 -5.844 1.00 0.00 C ATOM 907 CG GLU A 56 13.303 0.985 -5.372 1.00 0.00 C ATOM 908 CD GLU A 56 14.224 0.521 -6.492 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.545 1.341 -7.393 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.596 -0.683 -6.506 1.00 0.00 O ATOM 0 H GLU A 56 10.951 -0.234 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 56 11.275 2.431 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.598 -0.176 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.756 1.354 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.533 2.014 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.456 0.375 -4.482 1.00 0.00 H new ATOM 917 N ALA A 57 8.626 0.891 -5.659 1.00 0.00 N ATOM 918 CA ALA A 57 7.351 1.115 -6.265 1.00 0.00 C ATOM 919 C ALA A 57 6.569 2.181 -5.578 1.00 0.00 C ATOM 920 O ALA A 57 5.717 2.838 -6.174 1.00 0.00 O ATOM 921 CB ALA A 57 6.543 -0.194 -6.303 1.00 0.00 C ATOM 0 H ALA A 57 8.726 -0.036 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 57 7.538 1.460 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.574 -0.010 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.087 -0.940 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.395 -0.560 -5.287 1.00 0.00 H new ATOM 927 N TRP A 58 6.884 2.415 -4.291 1.00 0.00 N ATOM 928 CA TRP A 58 6.315 3.415 -3.442 1.00 0.00 C ATOM 929 C TRP A 58 6.988 4.730 -3.635 1.00 0.00 C ATOM 930 O TRP A 58 6.353 5.737 -3.944 1.00 0.00 O ATOM 931 CB TRP A 58 6.398 2.933 -1.984 1.00 0.00 C ATOM 932 CG TRP A 58 5.789 3.841 -0.944 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.966 4.913 -1.142 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.013 3.760 0.477 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.697 5.539 0.046 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.339 4.847 1.045 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.737 2.884 1.238 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.376 5.046 2.399 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.707 3.057 2.602 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.024 4.108 3.167 1.00 0.00 C ATOM 0 H TRP A 58 7.592 1.861 -3.808 1.00 0.00 H new ATOM 0 HA TRP A 58 5.267 3.566 -3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.910 1.960 -1.917 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.448 2.781 -1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.581 5.224 -2.102 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.121 6.372 0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.310 2.088 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.912 5.911 2.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.228 2.357 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.996 4.199 4.243 1.00 0.00 H new ATOM 951 N GLU A 59 8.325 4.768 -3.497 1.00 0.00 N ATOM 952 CA GLU A 59 9.247 5.847 -3.675 1.00 0.00 C ATOM 953 C GLU A 59 9.181 6.520 -5.002 1.00 0.00 C ATOM 954 O GLU A 59 9.477 7.707 -5.136 1.00 0.00 O ATOM 955 CB GLU A 59 10.638 5.254 -3.393 1.00 0.00 C ATOM 956 CG GLU A 59 11.900 5.952 -3.903 1.00 0.00 C ATOM 957 CD GLU A 59 12.157 7.367 -3.406 1.00 0.00 C ATOM 958 OE1 GLU A 59 11.566 7.828 -2.392 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.985 8.045 -4.073 1.00 0.00 O ATOM 0 H GLU A 59 8.823 3.922 -3.222 1.00 0.00 H new ATOM 0 HA GLU A 59 8.994 6.656 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.736 5.164 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.644 4.242 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.759 5.337 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.856 5.978 -4.992 1.00 0.00 H new ATOM 966 N ASN A 60 8.704 5.852 -6.067 1.00 0.00 N ATOM 967 CA ASN A 60 8.351 6.499 -7.291 1.00 0.00 C ATOM 968 C ASN A 60 7.329 7.573 -7.129 1.00 0.00 C ATOM 969 O ASN A 60 7.360 8.574 -7.843 1.00 0.00 O ATOM 970 CB ASN A 60 7.875 5.487 -8.347 1.00 0.00 C ATOM 971 CG ASN A 60 9.047 5.004 -9.191 1.00 0.00 C ATOM 972 OD1 ASN A 60 9.243 5.458 -10.317 1.00 0.00 O ATOM 973 ND2 ASN A 60 9.880 4.074 -8.653 1.00 0.00 N ATOM 0 H ASN A 60 8.561 4.842 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 60 9.268 6.978 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.398 4.638 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.123 5.948 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.684 3.741 -9.185 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.701 3.709 -7.717 1.00 0.00 H new ATOM 980 N LEU A 61 6.403 7.432 -6.164 1.00 0.00 N ATOM 981 CA LEU A 61 5.393 8.400 -5.870 1.00 0.00 C ATOM 982 C LEU A 61 5.548 8.946 -4.493 1.00 0.00 C ATOM 983 O LEU A 61 4.585 9.192 -3.768 1.00 0.00 O ATOM 984 CB LEU A 61 3.973 7.852 -6.092 1.00 0.00 C ATOM 985 CG LEU A 61 3.474 8.034 -7.535 1.00 0.00 C ATOM 986 CD1 LEU A 61 4.151 7.083 -8.536 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.950 7.834 -7.588 1.00 0.00 C ATOM 0 H LEU A 61 6.356 6.609 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 61 5.531 9.219 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.956 6.792 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.286 8.354 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 61 3.739 9.049 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.754 7.263 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.227 7.260 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.953 6.051 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.601 7.964 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.703 6.829 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.464 8.567 -6.944 1.00 0.00 H new ATOM 999 N LYS A 62 6.804 9.209 -4.087 1.00 0.00 N ATOM 1000 CA LYS A 62 7.228 9.860 -2.887 1.00 0.00 C ATOM 1001 C LYS A 62 6.649 11.164 -2.455 1.00 0.00 C ATOM 1002 O LYS A 62 6.667 11.461 -1.262 1.00 0.00 O ATOM 1003 CB LYS A 62 8.753 10.048 -2.951 1.00 0.00 C ATOM 1004 CG LYS A 62 9.261 10.925 -4.098 1.00 0.00 C ATOM 1005 CD LYS A 62 10.745 10.687 -4.386 1.00 0.00 C ATOM 1006 CE LYS A 62 11.696 11.202 -3.305 1.00 0.00 C ATOM 1007 NZ LYS A 62 13.043 10.611 -3.459 1.00 0.00 N ATOM 0 H LYS A 62 7.602 8.936 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 62 6.839 9.172 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.088 10.482 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.220 9.066 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.680 10.719 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.103 11.975 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.909 9.617 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.999 11.165 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.763 12.288 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.299 10.958 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.437 10.396 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.976 9.735 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.664 11.286 -3.949 1.00 0.00 H new ATOM 1021 N GLY A 63 6.151 12.003 -3.380 1.00 0.00 N ATOM 1022 CA GLY A 63 5.714 13.336 -3.100 1.00 0.00 C ATOM 1023 C GLY A 63 4.257 13.544 -3.335 1.00 0.00 C ATOM 1024 O GLY A 63 3.561 14.151 -2.522 1.00 0.00 O ATOM 0 H GLY A 63 6.049 11.743 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.945 13.575 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.277 14.033 -3.720 1.00 0.00 H new ATOM 1028 N LYS A 64 3.720 13.050 -4.464 1.00 0.00 N ATOM 1029 CA LYS A 64 2.379 13.340 -4.869 1.00 0.00 C ATOM 1030 C LYS A 64 1.423 12.276 -4.454 1.00 0.00 C ATOM 1031 O LYS A 64 0.288 12.152 -4.912 1.00 0.00 O ATOM 1032 CB LYS A 64 2.288 13.551 -6.389 1.00 0.00 C ATOM 1033 CG LYS A 64 2.472 12.279 -7.221 1.00 0.00 C ATOM 1034 CD LYS A 64 2.308 12.575 -8.713 1.00 0.00 C ATOM 1035 CE LYS A 64 2.491 11.348 -9.609 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.207 11.718 -11.013 1.00 0.00 N ATOM 0 H LYS A 64 4.224 12.439 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 64 2.099 14.264 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.317 13.986 -6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.044 14.277 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.460 11.858 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.744 11.529 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.316 12.994 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.031 13.337 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.509 10.968 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.823 10.548 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.331 10.885 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.228 12.061 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.862 12.468 -11.314 1.00 0.00 H new ATOM 1050 N SER A 65 1.875 11.436 -3.505 1.00 0.00 N ATOM 1051 CA SER A 65 1.285 10.244 -2.982 1.00 0.00 C ATOM 1052 C SER A 65 -0.172 10.291 -2.674 1.00 0.00 C ATOM 1053 O SER A 65 -0.937 9.442 -3.128 1.00 0.00 O ATOM 1054 CB SER A 65 2.030 9.885 -1.686 1.00 0.00 C ATOM 1055 OG SER A 65 3.391 10.288 -1.713 1.00 0.00 O ATOM 0 H SER A 65 2.769 11.621 -3.050 1.00 0.00 H new ATOM 0 HA SER A 65 1.379 9.507 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.531 10.358 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.976 8.808 -1.526 1.00 0.00 H new ATOM 0 HG SER A 65 3.899 9.686 -2.296 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.612 11.315 -1.921 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.967 11.485 -1.496 1.00 0.00 C ATOM 1063 C GLN A 66 -2.889 11.995 -2.550 1.00 0.00 C ATOM 1064 O GLN A 66 -4.106 12.010 -2.380 1.00 0.00 O ATOM 1065 CB GLN A 66 -2.023 12.422 -0.277 1.00 0.00 C ATOM 1066 CG GLN A 66 -2.017 11.580 1.001 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.945 12.432 2.260 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -2.081 13.654 2.252 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.720 11.733 3.404 1.00 0.00 N ATOM 0 H GLN A 66 0.005 12.058 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.318 10.485 -1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.170 13.101 -0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.921 13.038 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.917 10.967 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.167 10.898 0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.613 10.719 3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.659 12.222 4.297 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.340 12.446 -3.693 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.105 12.851 -4.830 1.00 0.00 C ATOM 1080 C GLU A 67 -3.382 11.640 -5.653 1.00 0.00 C ATOM 1081 O GLU A 67 -4.525 11.389 -6.032 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.352 13.876 -5.695 1.00 0.00 C ATOM 1083 CG GLU A 67 -1.970 15.159 -4.954 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.196 15.907 -4.450 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.098 16.202 -5.278 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.250 16.234 -3.235 1.00 0.00 O ATOM 0 H GLU A 67 -1.333 12.531 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.024 13.322 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.446 13.411 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.972 14.136 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.323 14.914 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.397 15.806 -5.619 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.338 10.851 -5.964 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.444 9.848 -6.977 1.00 0.00 C ATOM 1095 C ASP A 68 -2.855 8.518 -6.447 1.00 0.00 C ATOM 1096 O ASP A 68 -3.538 7.763 -7.137 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.123 9.801 -7.764 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.310 10.522 -9.091 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -1.751 9.869 -10.075 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.039 11.750 -9.172 1.00 0.00 O ATOM 0 H ASP A 68 -1.424 10.907 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.251 10.121 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.325 10.272 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.824 8.767 -7.936 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.517 8.194 -5.186 1.00 0.00 N ATOM 1106 CA ALA A 69 -2.933 6.976 -4.561 1.00 0.00 C ATOM 1107 C ALA A 69 -4.411 6.792 -4.558 1.00 0.00 C ATOM 1108 O ALA A 69 -4.934 5.875 -5.189 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.466 6.883 -3.099 1.00 0.00 C ATOM 0 H ALA A 69 -1.944 8.789 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.468 6.196 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.806 5.941 -2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.378 6.928 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.883 7.714 -2.530 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.165 7.698 -3.909 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.594 7.654 -3.878 1.00 0.00 C ATOM 1117 C GLU A 70 -7.338 7.437 -5.151 1.00 0.00 C ATOM 1118 O GLU A 70 -8.389 6.798 -5.136 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.165 8.848 -3.096 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.854 10.212 -3.717 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.772 11.274 -3.130 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.466 11.908 -2.085 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.882 11.453 -3.698 1.00 0.00 O ATOM 0 H GLU A 70 -4.769 8.483 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.777 6.714 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.246 8.734 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.770 8.825 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.813 10.476 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.983 10.166 -4.798 1.00 0.00 H new ATOM 1130 N LYS A 71 -6.852 7.902 -6.316 1.00 0.00 N ATOM 1131 CA LYS A 71 -7.506 7.819 -7.585 1.00 0.00 C ATOM 1132 C LYS A 71 -7.278 6.538 -8.311 1.00 0.00 C ATOM 1133 O LYS A 71 -8.133 6.062 -9.056 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.029 8.903 -8.567 1.00 0.00 C ATOM 1135 CG LYS A 71 -6.875 10.316 -8.000 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.167 10.997 -7.544 1.00 0.00 C ATOM 1137 CE LYS A 71 -7.916 12.316 -6.811 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.244 13.315 -7.671 1.00 0.00 N ATOM 0 H LYS A 71 -5.945 8.365 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.556 7.930 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.068 8.593 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.732 8.944 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.191 10.274 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.405 10.942 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.800 11.184 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.716 10.321 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.865 12.721 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.304 12.128 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.125 14.203 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.311 12.955 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.823 13.490 -8.517 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.089 5.928 -8.162 1.00 0.00 N ATOM 1153 CA GLU A 72 -5.829 4.629 -8.703 1.00 0.00 C ATOM 1154 C GLU A 72 -6.299 3.581 -7.754 1.00 0.00 C ATOM 1155 O GLU A 72 -6.771 2.527 -8.178 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.335 4.496 -9.042 1.00 0.00 C ATOM 1157 CG GLU A 72 -3.864 5.306 -10.251 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.098 4.626 -11.593 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.268 4.582 -12.057 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.110 4.143 -12.208 1.00 0.00 O ATOM 0 H GLU A 72 -5.300 6.339 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.383 4.491 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.753 4.801 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.112 3.444 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.377 6.268 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.799 5.512 -10.143 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.246 3.818 -6.431 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.513 2.822 -5.441 1.00 0.00 C ATOM 1169 C TYR A 73 -7.910 2.302 -5.453 1.00 0.00 C ATOM 1170 O TYR A 73 -8.112 1.089 -5.449 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.200 3.325 -4.022 1.00 0.00 C ATOM 1172 CG TYR A 73 -5.997 2.219 -3.045 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.911 1.383 -3.165 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.840 2.078 -1.968 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.622 0.459 -2.191 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.568 1.140 -1.000 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.456 0.339 -1.103 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.206 -0.643 -0.121 1.00 0.00 O ATOM 0 H TYR A 73 -6.010 4.730 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.848 2.001 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.304 3.945 -4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.017 3.960 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.277 1.454 -4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.716 2.704 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.747 -0.168 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.231 1.032 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.624 -0.270 0.574 1.00 0.00 H new ATOM 1188 N ILE A 74 -8.920 3.187 -5.523 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.287 2.870 -5.797 1.00 0.00 C ATOM 1190 C ILE A 74 -10.519 1.816 -6.823 1.00 0.00 C ATOM 1191 O ILE A 74 -11.128 0.788 -6.530 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.055 4.122 -6.099 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.543 3.857 -6.382 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.427 4.958 -7.228 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.405 5.120 -6.373 1.00 0.00 C ATOM 0 H ILE A 74 -8.772 4.186 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.664 2.413 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.995 4.714 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.638 3.370 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.927 3.160 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.030 5.850 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.416 5.251 -6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.390 4.365 -8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.442 4.854 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.341 5.597 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.048 5.810 -7.137 1.00 0.00 H new ATOM 1207 N ALA A 75 -9.995 1.982 -8.052 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.219 1.067 -9.127 1.00 0.00 C ATOM 1209 C ALA A 75 -9.503 -0.234 -9.000 1.00 0.00 C ATOM 1210 O ALA A 75 -10.014 -1.269 -9.423 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.844 1.748 -10.454 1.00 0.00 C ATOM 0 H ALA A 75 -9.401 2.772 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.279 0.814 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.012 1.055 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.460 2.636 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.793 2.036 -10.431 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.314 -0.246 -8.370 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.592 -1.434 -8.037 1.00 0.00 C ATOM 1219 C LEU A 76 -8.324 -2.257 -7.034 1.00 0.00 C ATOM 1220 O LEU A 76 -8.605 -3.435 -7.251 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.231 -1.127 -7.387 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.201 -0.417 -8.282 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.047 0.036 -7.372 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.693 -1.329 -9.412 1.00 0.00 C ATOM 0 H LEU A 76 -7.837 0.608 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.469 -1.959 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.403 -0.510 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.797 -2.065 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.663 0.438 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.291 0.546 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.429 0.717 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.601 -0.834 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.968 -0.787 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.219 -2.211 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.532 -1.636 -10.037 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.662 -1.645 -5.885 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.195 -2.277 -4.718 1.00 0.00 C ATOM 1238 C VAL A 77 -10.602 -2.718 -4.937 1.00 0.00 C ATOM 1239 O VAL A 77 -11.027 -3.710 -4.347 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.008 -1.408 -3.509 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.850 -1.861 -2.305 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.522 -1.533 -3.135 1.00 0.00 C ATOM 0 H VAL A 77 -8.555 -0.638 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.633 -3.190 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.321 -0.391 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.670 -1.192 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.907 -1.835 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.570 -2.877 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.315 -0.921 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.289 -2.575 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.907 -1.192 -3.968 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.370 -2.109 -5.858 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.657 -2.635 -6.192 1.00 0.00 C ATOM 1254 C ASP A 78 -12.587 -3.974 -6.843 1.00 0.00 C ATOM 1255 O ASP A 78 -13.428 -4.845 -6.625 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.383 -1.634 -7.108 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.899 -1.755 -7.057 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.484 -1.560 -5.958 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.531 -1.983 -8.123 1.00 0.00 O ATOM 0 H ASP A 78 -11.105 -1.264 -6.365 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.210 -2.775 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.097 -0.621 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.049 -1.784 -8.135 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.541 -4.214 -7.654 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.273 -5.477 -8.266 1.00 0.00 C ATOM 1266 C GLN A 79 -10.680 -6.464 -7.320 1.00 0.00 C ATOM 1267 O GLN A 79 -10.866 -7.669 -7.482 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.332 -5.318 -9.471 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.933 -4.497 -10.614 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.863 -4.177 -11.648 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -9.811 -4.726 -12.748 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.966 -3.225 -11.279 1.00 0.00 N ATOM 0 H GLN A 79 -10.854 -3.498 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.240 -5.859 -8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.409 -4.843 -9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.065 -6.306 -9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.747 -5.051 -11.081 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.360 -3.573 -10.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.035 -2.788 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.224 -2.948 -11.921 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.977 -6.011 -6.268 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.540 -6.836 -5.184 1.00 0.00 C ATOM 1283 C LEU A 80 -10.737 -7.290 -4.421 1.00 0.00 C ATOM 1284 O LEU A 80 -11.031 -8.483 -4.383 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.562 -6.154 -4.213 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.081 -6.243 -4.617 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.678 -5.300 -5.762 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.186 -6.007 -3.389 1.00 0.00 C ATOM 0 H LEU A 80 -9.702 -5.034 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.992 -7.665 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.836 -5.103 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.682 -6.601 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.936 -7.252 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.618 -5.428 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.264 -5.535 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.865 -4.268 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.139 -6.072 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.386 -5.018 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.398 -6.764 -2.634 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.518 -6.368 -3.828 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.606 -6.644 -2.942 1.00 0.00 C ATOM 1302 C ILE A 81 -13.661 -7.512 -3.538 1.00 0.00 C ATOM 1303 O ILE A 81 -14.136 -8.445 -2.893 1.00 0.00 O ATOM 1304 CB ILE A 81 -13.207 -5.349 -2.481 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.288 -4.659 -1.459 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.658 -5.437 -1.978 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.491 -5.099 -0.010 1.00 0.00 C ATOM 0 H ILE A 81 -11.380 -5.368 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.196 -7.203 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.279 -4.732 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.252 -4.848 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.444 -3.582 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.997 -4.448 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.299 -5.806 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.708 -6.119 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.799 -4.558 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -13.515 -4.884 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.304 -6.170 0.075 1.00 0.00 H new ATOM 1319 N ALA A 82 -14.025 -7.280 -4.811 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.968 -8.092 -5.517 1.00 0.00 C ATOM 1321 C ALA A 82 -14.615 -9.537 -5.611 1.00 0.00 C ATOM 1322 O ALA A 82 -15.483 -10.408 -5.612 1.00 0.00 O ATOM 1323 CB ALA A 82 -15.145 -7.512 -6.931 1.00 0.00 C ATOM 0 H ALA A 82 -13.654 -6.508 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.892 -8.062 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.861 -8.118 -7.486 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.513 -6.488 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.186 -7.518 -7.449 1.00 0.00 H new ATOM 1329 N LYS A 83 -13.312 -9.861 -5.680 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.782 -11.189 -5.648 1.00 0.00 C ATOM 1331 C LYS A 83 -12.561 -11.630 -4.242 1.00 0.00 C ATOM 1332 O LYS A 83 -12.719 -12.804 -3.910 1.00 0.00 O ATOM 1333 CB LYS A 83 -11.477 -11.158 -6.458 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.862 -12.506 -6.842 1.00 0.00 C ATOM 1335 CD LYS A 83 -9.687 -12.247 -7.786 1.00 0.00 C ATOM 1336 CE LYS A 83 -9.048 -13.534 -8.311 1.00 0.00 C ATOM 1337 NZ LYS A 83 -7.970 -13.246 -9.284 1.00 0.00 N ATOM 0 H LYS A 83 -12.584 -9.152 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.474 -11.910 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.661 -10.597 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.737 -10.599 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.524 -13.036 -5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.606 -13.138 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.031 -11.648 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.932 -11.659 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.643 -14.107 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.810 -14.154 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.558 -14.140 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.362 -12.720 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.231 -12.675 -8.825 1.00 0.00 H new ATOM 1351 N TYR A 84 -12.146 -10.710 -3.353 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.473 -11.048 -2.138 1.00 0.00 C ATOM 1353 C TYR A 84 -12.286 -10.976 -0.892 1.00 0.00 C ATOM 1354 O TYR A 84 -11.924 -11.645 0.076 1.00 0.00 O ATOM 1355 CB TYR A 84 -10.188 -10.219 -1.963 1.00 0.00 C ATOM 1356 CG TYR A 84 -9.113 -10.479 -2.961 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -9.044 -11.614 -3.735 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -8.089 -9.567 -3.076 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.977 -11.857 -4.566 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -7.033 -9.769 -3.932 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.969 -10.928 -4.670 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.877 -11.189 -5.524 1.00 0.00 O ATOM 0 H TYR A 84 -12.282 -9.707 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.240 -12.105 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.450 -9.162 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.788 -10.408 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.849 -12.332 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.116 -8.668 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.930 -12.774 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.258 -9.022 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.387 -10.357 -5.692 1.00 0.00 H new ATOM 1372 N SER A 85 -13.396 -10.217 -0.850 1.00 0.00 N ATOM 1373 CA SER A 85 -14.308 -10.129 0.247 1.00 0.00 C ATOM 1374 C SER A 85 -14.611 -11.398 0.968 1.00 0.00 C ATOM 1375 O SER A 85 -14.430 -11.485 2.182 1.00 0.00 O ATOM 1376 CB SER A 85 -15.628 -9.465 -0.177 1.00 0.00 C ATOM 1377 OG SER A 85 -16.453 -9.097 0.920 1.00 0.00 O ATOM 0 H SER A 85 -13.673 -9.627 -1.634 1.00 0.00 H new ATOM 0 HA SER A 85 -13.765 -9.513 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.406 -8.577 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.179 -10.149 -0.823 1.00 0.00 H new ATOM 0 HG SER A 85 -17.274 -8.680 0.586 1.00 0.00 H new ATOM 1383 N SER A 86 -15.065 -12.431 0.237 1.00 0.00 N ATOM 1384 CA SER A 86 -15.217 -13.760 0.744 1.00 0.00 C ATOM 1385 C SER A 86 -15.439 -14.751 -0.390 1.00 0.00 C ATOM 1386 O SER A 86 -16.490 -14.651 -1.079 1.00 0.00 O ATOM 1387 CB SER A 86 -16.398 -13.918 1.715 1.00 0.00 C ATOM 1388 OG SER A 86 -17.609 -13.436 1.152 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.603 -15.669 -0.600 1.00 0.00 O ATOM 0 H SER A 86 -15.336 -12.338 -0.742 1.00 0.00 H new ATOM 0 HA SER A 86 -14.290 -13.961 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.513 -14.969 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.185 -13.378 2.638 1.00 0.00 H new ATOM 0 HG SER A 86 -17.685 -13.747 0.226 1.00 0.00 H new