USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 65 THR OG1 : rot 180:sc=-0.00607 USER MOD Set 1.2: A 68 GLN : amide:sc= -2.2 K(o=-2.2,f=-6.1!) USER MOD Set 1.3: A 71 GLN : amide:sc= 0 X(o=-2.2,f=-2.2) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -3.57! C(o=-3.2!,f=-3.4!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -119:sc= 0.328 (180deg=0) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0 K(o=-7.1,f=-9.2) USER MOD Set 3.2: A 39 ASN : amide:sc= -7.12! C(o=-7.1!,f=-9.6!) USER MOD Set 4.1: A 15 ASN : amide:sc= -0.278 K(o=0.88,f=-0.33!) USER MOD Set 4.2: A 19 THR OG1 : rot 100:sc= 1.16 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.712 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -101:sc= 0.0539 USER MOD Single : A 20 SER OG : rot 138:sc= -1.51! USER MOD Single : A 25 MET CE :methyl -116:sc= -2.72 (180deg=-3.72!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.019 (180deg=-0.211) USER MOD Single : A 32 GLN : amide:sc= -0.343 K(o=-0.34,f=-4.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 179:sc= -1.38 USER MOD Single : A 40 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 51 TYR OH : rot 133:sc= 0.00148 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.62! F(o=-3.2,f=-2.6!) USER MOD Single : A 57 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 110:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0707 (180deg=-0.402) USER MOD Single : A 79 ASN : amide:sc= 0.00093 X(o=0.00093,f=0) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.74! C(o=-2.8!,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ -117:sc= -0.205 (180deg=-2.12!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.614 K(o=-0.61,f=-4.6!) USER MOD Single : A 97 ASN : amide:sc= -0.0358 K(o=-0.036,f=-0.72) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.458 F(o=-1.8,f=-0.46) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0701 F(o=-0.76,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.907 -8.886 -3.250 1.00 0.00 N ATOM 2 CA GLY A 1 34.523 -7.743 -2.443 1.00 0.00 C ATOM 3 C GLY A 1 33.924 -6.623 -3.270 1.00 0.00 C ATOM 4 O GLY A 1 34.510 -5.547 -3.387 1.00 0.00 O ATOM 0 H1 GLY A 1 35.311 -9.623 -2.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.070 -9.262 -3.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.616 -8.593 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.801 -8.060 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.397 -7.369 -1.910 1.00 0.00 H new ATOM 8 N SER A 2 32.755 -6.877 -3.849 1.00 0.00 N ATOM 9 CA SER A 2 32.079 -5.884 -4.675 1.00 0.00 C ATOM 10 C SER A 2 31.372 -4.846 -3.808 1.00 0.00 C ATOM 11 O SER A 2 30.457 -5.172 -3.053 1.00 0.00 O ATOM 12 CB SER A 2 31.070 -6.563 -5.603 1.00 0.00 C ATOM 13 OG SER A 2 30.003 -7.135 -4.866 1.00 0.00 O ATOM 0 H SER A 2 32.256 -7.762 -3.761 1.00 0.00 H new ATOM 0 HA SER A 2 32.832 -5.376 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.677 -5.835 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.570 -7.337 -6.185 1.00 0.00 H new ATOM 0 HG SER A 2 29.916 -6.674 -4.006 1.00 0.00 H new ATOM 19 N SER A 3 31.804 -3.595 -3.924 1.00 0.00 N ATOM 20 CA SER A 3 31.217 -2.508 -3.148 1.00 0.00 C ATOM 21 C SER A 3 30.651 -1.430 -4.067 1.00 0.00 C ATOM 22 O SER A 3 31.365 -0.866 -4.895 1.00 0.00 O ATOM 23 CB SER A 3 32.261 -1.899 -2.211 1.00 0.00 C ATOM 24 OG SER A 3 32.556 -2.776 -1.138 1.00 0.00 O ATOM 0 H SER A 3 32.558 -3.308 -4.548 1.00 0.00 H new ATOM 0 HA SER A 3 30.402 -2.919 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.172 -1.682 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.893 -0.951 -1.819 1.00 0.00 H new ATOM 0 HG SER A 3 33.227 -2.365 -0.554 1.00 0.00 H new ATOM 30 N GLY A 4 29.360 -1.147 -3.913 1.00 0.00 N ATOM 31 CA GLY A 4 28.719 -0.138 -4.735 1.00 0.00 C ATOM 32 C GLY A 4 27.222 -0.068 -4.504 1.00 0.00 C ATOM 33 O GLY A 4 26.531 -1.085 -4.557 1.00 0.00 O ATOM 0 H GLY A 4 28.748 -1.599 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.162 0.835 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.912 -0.353 -5.786 1.00 0.00 H new ATOM 37 N SER A 5 26.720 1.135 -4.246 1.00 0.00 N ATOM 38 CA SER A 5 25.296 1.333 -4.001 1.00 0.00 C ATOM 39 C SER A 5 24.752 2.475 -4.854 1.00 0.00 C ATOM 40 O SER A 5 25.496 3.125 -5.588 1.00 0.00 O ATOM 41 CB SER A 5 25.048 1.625 -2.520 1.00 0.00 C ATOM 42 OG SER A 5 25.176 0.449 -1.740 1.00 0.00 O ATOM 0 H SER A 5 27.278 1.988 -4.201 1.00 0.00 H new ATOM 0 HA SER A 5 24.774 0.416 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.757 2.376 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.050 2.044 -2.391 1.00 0.00 H new ATOM 0 HG SER A 5 25.015 0.663 -0.797 1.00 0.00 H new ATOM 48 N SER A 6 23.448 2.712 -4.751 1.00 0.00 N ATOM 49 CA SER A 6 22.801 3.772 -5.516 1.00 0.00 C ATOM 50 C SER A 6 21.648 4.384 -4.727 1.00 0.00 C ATOM 51 O SER A 6 20.585 3.780 -4.590 1.00 0.00 O ATOM 52 CB SER A 6 22.289 3.228 -6.851 1.00 0.00 C ATOM 53 OG SER A 6 22.228 4.251 -7.829 1.00 0.00 O ATOM 0 H SER A 6 22.819 2.185 -4.146 1.00 0.00 H new ATOM 0 HA SER A 6 23.540 4.550 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.944 2.429 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.299 2.792 -6.714 1.00 0.00 H new ATOM 0 HG SER A 6 21.900 3.877 -8.673 1.00 0.00 H new ATOM 59 N GLY A 7 21.866 5.589 -4.209 1.00 0.00 N ATOM 60 CA GLY A 7 20.837 6.264 -3.440 1.00 0.00 C ATOM 61 C GLY A 7 20.463 5.507 -2.182 1.00 0.00 C ATOM 62 O GLY A 7 19.286 5.414 -1.832 1.00 0.00 O ATOM 0 H GLY A 7 22.737 6.110 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.185 7.261 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.950 6.393 -4.060 1.00 0.00 H new ATOM 66 N TYR A 8 21.465 4.962 -1.501 1.00 0.00 N ATOM 67 CA TYR A 8 21.235 4.204 -0.277 1.00 0.00 C ATOM 68 C TYR A 8 20.225 4.914 0.621 1.00 0.00 C ATOM 69 O TYR A 8 19.173 4.363 0.947 1.00 0.00 O ATOM 70 CB TYR A 8 22.550 4.001 0.477 1.00 0.00 C ATOM 71 CG TYR A 8 23.377 5.260 0.601 1.00 0.00 C ATOM 72 CD1 TYR A 8 24.195 5.684 -0.439 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.340 6.028 1.759 1.00 0.00 C ATOM 74 CE1 TYR A 8 24.953 6.833 -0.330 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.094 7.180 1.877 1.00 0.00 C ATOM 76 CZ TYR A 8 24.899 7.578 0.830 1.00 0.00 C ATOM 77 OH TYR A 8 25.652 8.724 0.942 1.00 0.00 O ATOM 0 H TYR A 8 22.445 5.031 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 8 20.829 3.231 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.332 3.620 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.138 3.239 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.239 5.104 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.711 5.719 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.584 7.147 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.053 7.765 2.784 1.00 0.00 H new ATOM 0 HH TYR A 8 25.499 9.131 1.820 1.00 0.00 H new ATOM 87 N ARG A 9 20.553 6.139 1.016 1.00 0.00 N ATOM 88 CA ARG A 9 19.677 6.925 1.876 1.00 0.00 C ATOM 89 C ARG A 9 18.211 6.660 1.546 1.00 0.00 C ATOM 90 O ARG A 9 17.373 6.551 2.440 1.00 0.00 O ATOM 91 CB ARG A 9 19.983 8.416 1.726 1.00 0.00 C ATOM 92 CG ARG A 9 19.833 8.929 0.303 1.00 0.00 C ATOM 93 CD ARG A 9 19.785 10.448 0.259 1.00 0.00 C ATOM 94 NE ARG A 9 19.624 10.952 -1.102 1.00 0.00 N ATOM 95 CZ ARG A 9 19.060 12.120 -1.391 1.00 0.00 C ATOM 96 NH1 ARG A 9 18.606 12.899 -0.420 1.00 0.00 N ATOM 97 NH2 ARG A 9 18.950 12.509 -2.655 1.00 0.00 N ATOM 0 H ARG A 9 21.419 6.609 0.754 1.00 0.00 H new ATOM 0 HA ARG A 9 19.859 6.626 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 9 19.319 8.982 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.001 8.605 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.666 8.573 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.922 8.523 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.960 10.802 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.701 10.852 0.689 1.00 0.00 H new ATOM 0 HE ARG A 9 19.963 10.376 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.689 12.603 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.174 13.795 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.298 11.911 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.517 13.406 -2.877 1.00 0.00 H new ATOM 111 N ALA A 10 17.909 6.557 0.256 1.00 0.00 N ATOM 112 CA ALA A 10 16.546 6.304 -0.192 1.00 0.00 C ATOM 113 C ALA A 10 16.230 4.812 -0.172 1.00 0.00 C ATOM 114 O ALA A 10 15.211 4.390 0.377 1.00 0.00 O ATOM 115 CB ALA A 10 16.335 6.870 -1.588 1.00 0.00 C ATOM 0 H ALA A 10 18.591 6.645 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 10 15.865 6.803 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.312 6.673 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.511 7.946 -1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.030 6.397 -2.281 1.00 0.00 H new ATOM 121 N THR A 11 17.109 4.017 -0.774 1.00 0.00 N ATOM 122 CA THR A 11 16.923 2.572 -0.826 1.00 0.00 C ATOM 123 C THR A 11 16.504 2.022 0.533 1.00 0.00 C ATOM 124 O THR A 11 15.612 1.179 0.625 1.00 0.00 O ATOM 125 CB THR A 11 18.207 1.856 -1.284 1.00 0.00 C ATOM 126 OG1 THR A 11 18.621 2.360 -2.559 1.00 0.00 O ATOM 127 CG2 THR A 11 17.987 0.354 -1.373 1.00 0.00 C ATOM 0 H THR A 11 17.957 4.350 -1.233 1.00 0.00 H new ATOM 0 HA THR A 11 16.132 2.381 -1.551 1.00 0.00 H new ATOM 0 HB THR A 11 18.987 2.049 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.439 1.901 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.908 -0.130 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.701 -0.031 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.194 0.144 -2.091 1.00 0.00 H new ATOM 135 N LYS A 12 17.154 2.505 1.587 1.00 0.00 N ATOM 136 CA LYS A 12 16.849 2.064 2.942 1.00 0.00 C ATOM 137 C LYS A 12 15.391 2.345 3.291 1.00 0.00 C ATOM 138 O LYS A 12 14.643 1.438 3.658 1.00 0.00 O ATOM 139 CB LYS A 12 17.768 2.761 3.947 1.00 0.00 C ATOM 140 CG LYS A 12 17.896 2.024 5.269 1.00 0.00 C ATOM 141 CD LYS A 12 18.971 0.952 5.208 1.00 0.00 C ATOM 142 CE LYS A 12 19.106 0.221 6.535 1.00 0.00 C ATOM 143 NZ LYS A 12 19.927 0.991 7.511 1.00 0.00 N ATOM 0 H LYS A 12 17.896 3.203 1.528 1.00 0.00 H new ATOM 0 HA LYS A 12 17.016 0.988 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.758 2.871 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.390 3.766 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.134 2.734 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.940 1.568 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.730 0.238 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.925 1.407 4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.116 0.043 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.561 -0.755 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.995 0.460 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.880 1.139 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.479 1.912 7.691 1.00 0.00 H new ATOM 157 N LEU A 13 14.992 3.607 3.172 1.00 0.00 N ATOM 158 CA LEU A 13 13.622 4.008 3.473 1.00 0.00 C ATOM 159 C LEU A 13 12.631 3.283 2.568 1.00 0.00 C ATOM 160 O LEU A 13 11.739 2.581 3.045 1.00 0.00 O ATOM 161 CB LEU A 13 13.465 5.521 3.311 1.00 0.00 C ATOM 162 CG LEU A 13 12.067 6.083 3.573 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.684 5.900 5.034 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.001 7.552 3.182 1.00 0.00 C ATOM 0 H LEU A 13 15.598 4.370 2.869 1.00 0.00 H new ATOM 0 HA LEU A 13 13.409 3.735 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.165 6.013 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.759 5.790 2.296 1.00 0.00 H new ATOM 0 HG LEU A 13 11.354 5.532 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.686 6.306 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.691 4.839 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.400 6.425 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.999 7.935 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.725 8.117 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.231 7.657 2.122 1.00 0.00 H new ATOM 176 N TRP A 14 12.795 3.456 1.262 1.00 0.00 N ATOM 177 CA TRP A 14 11.916 2.816 0.290 1.00 0.00 C ATOM 178 C TRP A 14 11.706 1.345 0.631 1.00 0.00 C ATOM 179 O TRP A 14 10.586 0.840 0.576 1.00 0.00 O ATOM 180 CB TRP A 14 12.497 2.948 -1.119 1.00 0.00 C ATOM 181 CG TRP A 14 11.843 2.043 -2.119 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.336 0.866 -2.604 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.577 2.244 -2.756 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.452 0.322 -3.505 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.365 1.148 -3.615 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.601 3.241 -2.683 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.218 1.024 -4.395 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.463 3.118 -3.458 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.279 2.016 -4.304 1.00 0.00 C ATOM 0 H TRP A 14 13.528 4.034 0.851 1.00 0.00 H new ATOM 0 HA TRP A 14 10.950 3.319 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.393 3.981 -1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.564 2.730 -1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.281 0.427 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.584 -0.554 -4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.733 4.093 -2.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.074 0.176 -5.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.703 3.884 -3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.378 1.948 -4.896 1.00 0.00 H new ATOM 200 N ASN A 15 12.791 0.664 0.984 1.00 0.00 N ATOM 201 CA ASN A 15 12.725 -0.751 1.334 1.00 0.00 C ATOM 202 C ASN A 15 11.948 -0.954 2.631 1.00 0.00 C ATOM 203 O ASN A 15 11.195 -1.918 2.770 1.00 0.00 O ATOM 204 CB ASN A 15 14.134 -1.329 1.474 1.00 0.00 C ATOM 205 CG ASN A 15 14.138 -2.846 1.490 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.387 -3.471 2.239 1.00 0.00 O ATOM 207 ND2 ASN A 15 14.986 -3.444 0.662 1.00 0.00 N ATOM 0 H ASN A 15 13.726 1.068 1.035 1.00 0.00 H new ATOM 0 HA ASN A 15 12.203 -1.275 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.752 -0.975 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.586 -0.957 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.034 -4.462 0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.590 -2.885 0.059 1.00 0.00 H new ATOM 214 N GLU A 16 12.137 -0.040 3.578 1.00 0.00 N ATOM 215 CA GLU A 16 11.454 -0.120 4.863 1.00 0.00 C ATOM 216 C GLU A 16 9.948 0.057 4.691 1.00 0.00 C ATOM 217 O GLU A 16 9.160 -0.788 5.116 1.00 0.00 O ATOM 218 CB GLU A 16 11.997 0.943 5.821 1.00 0.00 C ATOM 219 CG GLU A 16 13.171 0.464 6.658 1.00 0.00 C ATOM 220 CD GLU A 16 14.160 -0.362 5.858 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.817 -1.506 5.491 1.00 0.00 O ATOM 222 OE2 GLU A 16 15.275 0.135 5.600 1.00 0.00 O ATOM 0 H GLU A 16 12.757 0.764 3.479 1.00 0.00 H new ATOM 0 HA GLU A 16 11.641 -1.108 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.304 1.816 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.195 1.265 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.684 1.326 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.799 -0.130 7.493 1.00 0.00 H new ATOM 229 N VAL A 17 9.556 1.163 4.066 1.00 0.00 N ATOM 230 CA VAL A 17 8.145 1.451 3.837 1.00 0.00 C ATOM 231 C VAL A 17 7.477 0.334 3.044 1.00 0.00 C ATOM 232 O VAL A 17 6.359 -0.080 3.353 1.00 0.00 O ATOM 233 CB VAL A 17 7.960 2.782 3.083 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.785 2.791 1.805 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.488 3.021 2.779 1.00 0.00 C ATOM 0 H VAL A 17 10.195 1.874 3.710 1.00 0.00 H new ATOM 0 HA VAL A 17 7.674 1.528 4.817 1.00 0.00 H new ATOM 0 HB VAL A 17 8.313 3.593 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.642 3.739 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.840 2.668 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.466 1.972 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.375 3.965 2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.107 2.208 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.926 3.061 3.712 1.00 0.00 H new ATOM 245 N THR A 18 8.170 -0.154 2.019 1.00 0.00 N ATOM 246 CA THR A 18 7.644 -1.224 1.181 1.00 0.00 C ATOM 247 C THR A 18 7.465 -2.510 1.979 1.00 0.00 C ATOM 248 O THR A 18 6.389 -3.109 1.979 1.00 0.00 O ATOM 249 CB THR A 18 8.568 -1.502 -0.020 1.00 0.00 C ATOM 250 OG1 THR A 18 9.935 -1.513 0.406 1.00 0.00 O ATOM 251 CG2 THR A 18 8.378 -0.452 -1.104 1.00 0.00 C ATOM 0 H THR A 18 9.097 0.175 1.750 1.00 0.00 H new ATOM 0 HA THR A 18 6.674 -0.890 0.814 1.00 0.00 H new ATOM 0 HB THR A 18 8.308 -2.477 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.356 -0.658 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.041 -0.670 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.343 -0.466 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.613 0.533 -0.701 1.00 0.00 H new ATOM 259 N THR A 19 8.526 -2.931 2.660 1.00 0.00 N ATOM 260 CA THR A 19 8.487 -4.147 3.462 1.00 0.00 C ATOM 261 C THR A 19 7.224 -4.202 4.315 1.00 0.00 C ATOM 262 O THR A 19 6.486 -5.187 4.286 1.00 0.00 O ATOM 263 CB THR A 19 9.718 -4.254 4.381 1.00 0.00 C ATOM 264 OG1 THR A 19 10.916 -4.267 3.596 1.00 0.00 O ATOM 265 CG2 THR A 19 9.650 -5.513 5.232 1.00 0.00 C ATOM 0 H THR A 19 9.424 -2.447 2.672 1.00 0.00 H new ATOM 0 HA THR A 19 8.489 -4.985 2.765 1.00 0.00 H new ATOM 0 HB THR A 19 9.727 -3.387 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.318 -3.373 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.530 -5.567 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.752 -5.487 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.619 -6.389 4.584 1.00 0.00 H new ATOM 273 N SER A 20 6.981 -3.138 5.074 1.00 0.00 N ATOM 274 CA SER A 20 5.809 -3.067 5.938 1.00 0.00 C ATOM 275 C SER A 20 4.525 -3.177 5.121 1.00 0.00 C ATOM 276 O SER A 20 3.588 -3.876 5.507 1.00 0.00 O ATOM 277 CB SER A 20 5.812 -1.758 6.730 1.00 0.00 C ATOM 278 OG SER A 20 5.217 -1.932 8.005 1.00 0.00 O ATOM 0 H SER A 20 7.580 -2.313 5.108 1.00 0.00 H new ATOM 0 HA SER A 20 5.850 -3.905 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.836 -1.403 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.271 -0.992 6.174 1.00 0.00 H new ATOM 0 HG SER A 20 5.745 -1.457 8.680 1.00 0.00 H new ATOM 284 N PHE A 21 4.489 -2.481 3.989 1.00 0.00 N ATOM 285 CA PHE A 21 3.321 -2.498 3.117 1.00 0.00 C ATOM 286 C PHE A 21 2.888 -3.931 2.816 1.00 0.00 C ATOM 287 O PHE A 21 1.716 -4.279 2.958 1.00 0.00 O ATOM 288 CB PHE A 21 3.621 -1.759 1.812 1.00 0.00 C ATOM 289 CG PHE A 21 2.472 -1.761 0.844 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.251 -2.848 0.013 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.614 -0.676 0.764 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.195 -2.853 -0.879 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.556 -0.676 -0.125 1.00 0.00 C ATOM 294 CZ PHE A 21 0.347 -1.765 -0.948 1.00 0.00 C ATOM 0 H PHE A 21 5.256 -1.898 3.654 1.00 0.00 H new ATOM 0 HA PHE A 21 2.506 -1.991 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.891 -0.728 2.041 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.488 -2.217 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.912 -3.701 0.063 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.774 0.179 1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.033 -3.706 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.107 0.175 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.478 -1.766 -1.645 1.00 0.00 H new ATOM 304 N ARG A 22 3.844 -4.755 2.400 1.00 0.00 N ATOM 305 CA ARG A 22 3.562 -6.149 2.077 1.00 0.00 C ATOM 306 C ARG A 22 2.717 -6.800 3.168 1.00 0.00 C ATOM 307 O ARG A 22 1.607 -7.266 2.912 1.00 0.00 O ATOM 308 CB ARG A 22 4.867 -6.926 1.896 1.00 0.00 C ATOM 309 CG ARG A 22 4.720 -8.173 1.039 1.00 0.00 C ATOM 310 CD ARG A 22 4.132 -9.329 1.833 1.00 0.00 C ATOM 311 NE ARG A 22 5.117 -9.939 2.722 1.00 0.00 N ATOM 312 CZ ARG A 22 5.943 -10.910 2.347 1.00 0.00 C ATOM 313 NH1 ARG A 22 5.902 -11.378 1.108 1.00 0.00 N ATOM 314 NH2 ARG A 22 6.812 -11.414 3.214 1.00 0.00 N ATOM 0 H ARG A 22 4.819 -4.482 2.279 1.00 0.00 H new ATOM 0 HA ARG A 22 3.000 -6.173 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.611 -6.270 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.249 -7.212 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.080 -7.955 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.694 -8.460 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.286 -8.972 2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.748 -10.083 1.146 1.00 0.00 H new ATOM 0 HE ARG A 22 5.174 -9.601 3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.235 -10.993 0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.537 -12.123 0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.846 -11.056 4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.446 -12.159 2.926 1.00 0.00 H new ATOM 328 N ALA A 23 3.252 -6.829 4.384 1.00 0.00 N ATOM 329 CA ALA A 23 2.547 -7.422 5.514 1.00 0.00 C ATOM 330 C ALA A 23 1.491 -6.468 6.063 1.00 0.00 C ATOM 331 O ALA A 23 0.296 -6.760 6.023 1.00 0.00 O ATOM 332 CB ALA A 23 3.532 -7.807 6.608 1.00 0.00 C ATOM 0 H ALA A 23 4.171 -6.449 4.612 1.00 0.00 H new ATOM 0 HA ALA A 23 2.041 -8.321 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.992 -8.248 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.247 -8.530 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.064 -6.918 6.948 1.00 0.00 H new ATOM 338 N GLY A 24 1.940 -5.327 6.577 1.00 0.00 N ATOM 339 CA GLY A 24 1.020 -4.349 7.128 1.00 0.00 C ATOM 340 C GLY A 24 -0.091 -4.989 7.937 1.00 0.00 C ATOM 341 O GLY A 24 0.153 -5.900 8.727 1.00 0.00 O ATOM 0 H GLY A 24 2.924 -5.063 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.571 -3.653 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.585 -3.766 6.316 1.00 0.00 H new ATOM 345 N MET A 25 -1.315 -4.509 7.741 1.00 0.00 N ATOM 346 CA MET A 25 -2.467 -5.041 8.459 1.00 0.00 C ATOM 347 C MET A 25 -3.172 -6.116 7.638 1.00 0.00 C ATOM 348 O MET A 25 -3.104 -6.135 6.408 1.00 0.00 O ATOM 349 CB MET A 25 -3.448 -3.916 8.796 1.00 0.00 C ATOM 350 CG MET A 25 -3.080 -3.145 10.054 1.00 0.00 C ATOM 351 SD MET A 25 -3.872 -1.527 10.134 1.00 0.00 S ATOM 352 CE MET A 25 -3.025 -0.669 8.809 1.00 0.00 C ATOM 0 H MET A 25 -1.534 -3.754 7.092 1.00 0.00 H new ATOM 0 HA MET A 25 -2.109 -5.492 9.384 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.496 -3.223 7.956 1.00 0.00 H new ATOM 0 HB3 MET A 25 -4.445 -4.339 8.918 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.365 -3.728 10.929 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.998 -3.018 10.094 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.451 0.161 9.221 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.351 -1.359 8.301 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.757 -0.286 8.097 1.00 0.00 H new ATOM 362 N PRO A 26 -3.863 -7.033 8.330 1.00 0.00 N ATOM 363 CA PRO A 26 -4.593 -8.128 7.684 1.00 0.00 C ATOM 364 C PRO A 26 -5.819 -7.637 6.921 1.00 0.00 C ATOM 365 O PRO A 26 -6.253 -6.497 7.091 1.00 0.00 O ATOM 366 CB PRO A 26 -5.014 -9.015 8.858 1.00 0.00 C ATOM 367 CG PRO A 26 -5.063 -8.095 10.029 1.00 0.00 C ATOM 368 CD PRO A 26 -3.987 -7.071 9.797 1.00 0.00 C ATOM 0 HA PRO A 26 -3.983 -8.642 6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.984 -9.477 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.301 -9.823 9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.041 -7.621 10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.891 -8.637 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.264 -6.098 10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.049 -7.359 10.272 1.00 0.00 H new ATOM 376 N LEU A 27 -6.373 -8.503 6.080 1.00 0.00 N ATOM 377 CA LEU A 27 -7.550 -8.158 5.291 1.00 0.00 C ATOM 378 C LEU A 27 -8.774 -7.990 6.184 1.00 0.00 C ATOM 379 O LEU A 27 -9.222 -8.940 6.826 1.00 0.00 O ATOM 380 CB LEU A 27 -7.816 -9.235 4.238 1.00 0.00 C ATOM 381 CG LEU A 27 -6.612 -9.668 3.401 1.00 0.00 C ATOM 382 CD1 LEU A 27 -6.788 -11.097 2.911 1.00 0.00 C ATOM 383 CD2 LEU A 27 -6.411 -8.720 2.227 1.00 0.00 C ATOM 0 H LEU A 27 -6.026 -9.450 5.927 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.356 -7.209 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.219 -10.114 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.590 -8.871 3.563 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.723 -9.629 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.921 -11.387 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.882 -11.766 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.687 -11.163 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.550 -9.043 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.301 -8.727 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.238 -7.710 2.600 1.00 0.00 H new ATOM 395 N ARG A 28 -9.313 -6.775 6.219 1.00 0.00 N ATOM 396 CA ARG A 28 -10.486 -6.483 7.033 1.00 0.00 C ATOM 397 C ARG A 28 -11.751 -7.037 6.383 1.00 0.00 C ATOM 398 O ARG A 28 -12.398 -7.934 6.923 1.00 0.00 O ATOM 399 CB ARG A 28 -10.626 -4.974 7.241 1.00 0.00 C ATOM 400 CG ARG A 28 -9.474 -4.356 8.015 1.00 0.00 C ATOM 401 CD ARG A 28 -9.507 -4.760 9.481 1.00 0.00 C ATOM 402 NE ARG A 28 -10.329 -3.854 10.279 1.00 0.00 N ATOM 403 CZ ARG A 28 -9.878 -2.716 10.796 1.00 0.00 C ATOM 404 NH1 ARG A 28 -8.620 -2.347 10.598 1.00 0.00 N ATOM 405 NH2 ARG A 28 -10.687 -1.945 11.512 1.00 0.00 N ATOM 0 H ARG A 28 -8.956 -5.978 5.693 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.354 -6.966 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.702 -4.487 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.557 -4.774 7.771 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.528 -4.667 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.521 -3.270 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.895 -5.775 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.491 -4.772 9.877 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.302 -4.109 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.996 -2.937 10.048 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.276 -1.473 10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.655 -2.226 11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.340 -1.072 11.909 1.00 0.00 H new ATOM 419 N LYS A 29 -12.097 -6.496 5.220 1.00 0.00 N ATOM 420 CA LYS A 29 -13.283 -6.936 4.494 1.00 0.00 C ATOM 421 C LYS A 29 -13.280 -6.395 3.068 1.00 0.00 C ATOM 422 O LYS A 29 -12.466 -5.539 2.720 1.00 0.00 O ATOM 423 CB LYS A 29 -14.550 -6.479 5.221 1.00 0.00 C ATOM 424 CG LYS A 29 -14.628 -4.976 5.420 1.00 0.00 C ATOM 425 CD LYS A 29 -15.856 -4.583 6.224 1.00 0.00 C ATOM 426 CE LYS A 29 -15.698 -4.940 7.694 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.683 -4.084 8.367 1.00 0.00 N ATOM 0 H LYS A 29 -11.573 -5.752 4.760 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.269 -8.025 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.422 -6.808 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.597 -6.969 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.730 -4.629 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.653 -4.480 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.029 -3.511 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.734 -5.086 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.658 -4.831 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.408 -5.987 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.770 -4.188 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.730 -4.375 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.839 -3.090 8.105 1.00 0.00 H new ATOM 441 N HIS A 30 -14.196 -6.899 2.247 1.00 0.00 N ATOM 442 CA HIS A 30 -14.300 -6.464 0.858 1.00 0.00 C ATOM 443 C HIS A 30 -15.515 -5.564 0.660 1.00 0.00 C ATOM 444 O HIS A 30 -16.604 -5.857 1.156 1.00 0.00 O ATOM 445 CB HIS A 30 -14.390 -7.675 -0.072 1.00 0.00 C ATOM 446 CG HIS A 30 -13.571 -8.843 0.384 1.00 0.00 C ATOM 447 ND1 HIS A 30 -14.126 -10.007 0.872 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.230 -9.023 0.423 1.00 0.00 C ATOM 449 CE1 HIS A 30 -13.162 -10.851 1.193 1.00 0.00 C ATOM 450 NE2 HIS A 30 -12.002 -10.278 0.929 1.00 0.00 N ATOM 0 H HIS A 30 -14.877 -7.608 2.519 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.404 -5.893 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -15.432 -7.983 -0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.065 -7.381 -1.070 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -15.125 -10.188 0.970 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.479 -8.311 0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.299 -11.841 1.602 1.00 0.00 H new ATOM 458 N ARG A 31 -15.322 -4.468 -0.067 1.00 0.00 N ATOM 459 CA ARG A 31 -16.402 -3.525 -0.328 1.00 0.00 C ATOM 460 C ARG A 31 -17.024 -3.776 -1.699 1.00 0.00 C ATOM 461 O ARG A 31 -18.227 -4.010 -1.811 1.00 0.00 O ATOM 462 CB ARG A 31 -15.883 -2.088 -0.248 1.00 0.00 C ATOM 463 CG ARG A 31 -16.967 -1.065 0.054 1.00 0.00 C ATOM 464 CD ARG A 31 -16.629 0.295 -0.537 1.00 0.00 C ATOM 465 NE ARG A 31 -17.414 1.366 0.071 1.00 0.00 N ATOM 466 CZ ARG A 31 -17.074 1.977 1.200 1.00 0.00 C ATOM 467 NH1 ARG A 31 -15.968 1.624 1.841 1.00 0.00 N ATOM 468 NH2 ARG A 31 -17.841 2.943 1.690 1.00 0.00 N ATOM 0 H ARG A 31 -14.428 -4.212 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 31 -17.169 -3.671 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.115 -2.030 0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.405 -1.830 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.919 -1.412 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -17.092 -0.973 1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.568 0.498 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.810 0.278 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.271 1.661 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.377 0.882 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.709 2.095 2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.692 3.217 1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.579 3.412 2.557 1.00 0.00 H new ATOM 482 N GLN A 32 -16.196 -3.726 -2.737 1.00 0.00 N ATOM 483 CA GLN A 32 -16.665 -3.947 -4.100 1.00 0.00 C ATOM 484 C GLN A 32 -17.818 -4.945 -4.123 1.00 0.00 C ATOM 485 O GLN A 32 -18.851 -4.702 -4.749 1.00 0.00 O ATOM 486 CB GLN A 32 -15.520 -4.452 -4.980 1.00 0.00 C ATOM 487 CG GLN A 32 -15.668 -4.076 -6.445 1.00 0.00 C ATOM 488 CD GLN A 32 -15.398 -2.606 -6.701 1.00 0.00 C ATOM 489 OE1 GLN A 32 -14.589 -1.983 -6.013 1.00 0.00 O ATOM 490 NE2 GLN A 32 -16.076 -2.043 -7.694 1.00 0.00 N ATOM 0 H GLN A 32 -15.197 -3.534 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.024 -2.996 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -14.579 -4.050 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.460 -5.537 -4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.981 -4.677 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.677 -4.320 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.737 -2.597 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.936 -1.056 -7.912 1.00 0.00 H new ATOM 499 N HIS A 33 -17.636 -6.069 -3.437 1.00 0.00 N ATOM 500 CA HIS A 33 -18.662 -7.104 -3.379 1.00 0.00 C ATOM 501 C HIS A 33 -18.325 -8.144 -2.315 1.00 0.00 C ATOM 502 O HIS A 33 -17.283 -8.066 -1.664 1.00 0.00 O ATOM 503 CB HIS A 33 -18.812 -7.781 -4.742 1.00 0.00 C ATOM 504 CG HIS A 33 -19.663 -7.010 -5.703 1.00 0.00 C ATOM 505 ND1 HIS A 33 -20.991 -6.720 -5.467 1.00 0.00 N ATOM 506 CD2 HIS A 33 -19.370 -6.468 -6.908 1.00 0.00 C ATOM 507 CE1 HIS A 33 -21.477 -6.034 -6.486 1.00 0.00 C ATOM 508 NE2 HIS A 33 -20.513 -5.867 -7.374 1.00 0.00 N ATOM 0 H HIS A 33 -16.788 -6.286 -2.914 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.606 -6.630 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -17.823 -7.924 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.244 -8.772 -4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -18.414 -6.502 -7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.490 -5.671 -6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -20.603 -5.372 -8.261 1.00 0.00 H new ATOM 516 N PHE A 34 -19.214 -9.117 -2.143 1.00 0.00 N ATOM 517 CA PHE A 34 -19.011 -10.172 -1.157 1.00 0.00 C ATOM 518 C PHE A 34 -18.935 -11.539 -1.831 1.00 0.00 C ATOM 519 O PHE A 34 -19.856 -11.948 -2.539 1.00 0.00 O ATOM 520 CB PHE A 34 -20.142 -10.161 -0.127 1.00 0.00 C ATOM 521 CG PHE A 34 -20.034 -9.043 0.870 1.00 0.00 C ATOM 522 CD1 PHE A 34 -20.239 -7.728 0.481 1.00 0.00 C ATOM 523 CD2 PHE A 34 -19.729 -9.306 2.195 1.00 0.00 C ATOM 524 CE1 PHE A 34 -20.139 -6.698 1.396 1.00 0.00 C ATOM 525 CE2 PHE A 34 -19.628 -8.279 3.115 1.00 0.00 C ATOM 526 CZ PHE A 34 -19.835 -6.973 2.715 1.00 0.00 C ATOM 0 H PHE A 34 -20.082 -9.197 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 34 -18.065 -9.983 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.096 -10.082 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -20.147 -11.112 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -20.479 -7.507 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -19.568 -10.325 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -20.299 -5.678 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.388 -8.497 4.145 1.00 0.00 H new ATOM 0 HZ PHE A 34 -19.759 -6.169 3.432 1.00 0.00 H new ATOM 536 N LYS A 35 -17.831 -12.242 -1.606 1.00 0.00 N ATOM 537 CA LYS A 35 -17.632 -13.564 -2.189 1.00 0.00 C ATOM 538 C LYS A 35 -17.885 -13.538 -3.693 1.00 0.00 C ATOM 539 O LYS A 35 -18.372 -14.512 -4.268 1.00 0.00 O ATOM 540 CB LYS A 35 -18.559 -14.583 -1.523 1.00 0.00 C ATOM 541 CG LYS A 35 -20.018 -14.427 -1.917 1.00 0.00 C ATOM 542 CD LYS A 35 -20.781 -15.731 -1.759 1.00 0.00 C ATOM 543 CE LYS A 35 -22.179 -15.634 -2.350 1.00 0.00 C ATOM 544 NZ LYS A 35 -22.176 -15.868 -3.821 1.00 0.00 N ATOM 0 H LYS A 35 -17.059 -11.918 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.597 -13.858 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.227 -15.588 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.472 -14.488 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.482 -13.656 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.082 -14.090 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.233 -16.536 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.849 -15.988 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.829 -16.364 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.595 -14.649 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.147 -15.793 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.576 -15.156 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.803 -16.818 -4.021 1.00 0.00 H new ATOM 558 N LYS A 36 -17.550 -12.419 -4.326 1.00 0.00 N ATOM 559 CA LYS A 36 -17.738 -12.266 -5.764 1.00 0.00 C ATOM 560 C LYS A 36 -16.398 -12.274 -6.492 1.00 0.00 C ATOM 561 O LYS A 36 -16.307 -12.703 -7.642 1.00 0.00 O ATOM 562 CB LYS A 36 -18.488 -10.967 -6.066 1.00 0.00 C ATOM 563 CG LYS A 36 -19.263 -11.002 -7.372 1.00 0.00 C ATOM 564 CD LYS A 36 -19.688 -9.608 -7.805 1.00 0.00 C ATOM 565 CE LYS A 36 -20.497 -9.648 -9.093 1.00 0.00 C ATOM 566 NZ LYS A 36 -21.160 -8.344 -9.371 1.00 0.00 N ATOM 0 H LYS A 36 -17.146 -11.604 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.329 -13.110 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.178 -10.757 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.774 -10.144 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.647 -11.454 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.144 -11.633 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.281 -9.145 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.805 -8.985 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.843 -9.908 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.251 -10.432 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.191 -8.477 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.914 -7.663 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.838 -7.980 -10.291 1.00 0.00 H new ATOM 580 N TYR A 37 -15.360 -11.797 -5.814 1.00 0.00 N ATOM 581 CA TYR A 37 -14.024 -11.748 -6.397 1.00 0.00 C ATOM 582 C TYR A 37 -12.969 -12.166 -5.377 1.00 0.00 C ATOM 583 O TYR A 37 -13.204 -12.122 -4.170 1.00 0.00 O ATOM 584 CB TYR A 37 -13.721 -10.340 -6.913 1.00 0.00 C ATOM 585 CG TYR A 37 -13.864 -9.266 -5.859 1.00 0.00 C ATOM 586 CD1 TYR A 37 -15.112 -8.917 -5.359 1.00 0.00 C ATOM 587 CD2 TYR A 37 -12.750 -8.598 -5.364 1.00 0.00 C ATOM 588 CE1 TYR A 37 -15.247 -7.935 -4.397 1.00 0.00 C ATOM 589 CE2 TYR A 37 -12.876 -7.616 -4.401 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.126 -7.288 -3.921 1.00 0.00 C ATOM 591 OH TYR A 37 -14.256 -6.309 -2.962 1.00 0.00 O ATOM 0 H TYR A 37 -15.418 -11.439 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.994 -12.448 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.705 -10.317 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.390 -10.114 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.992 -9.422 -5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -11.769 -8.851 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.225 -7.675 -4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.000 -7.108 -4.026 1.00 0.00 H new ATOM 0 HH TYR A 37 -13.370 -5.965 -2.723 1.00 0.00 H new ATOM 601 N GLY A 38 -11.803 -12.571 -5.873 1.00 0.00 N ATOM 602 CA GLY A 38 -10.729 -12.990 -4.993 1.00 0.00 C ATOM 603 C GLY A 38 -10.457 -11.986 -3.890 1.00 0.00 C ATOM 604 O GLY A 38 -10.865 -10.830 -3.980 1.00 0.00 O ATOM 0 H GLY A 38 -11.584 -12.616 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.982 -13.953 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.821 -13.137 -5.578 1.00 0.00 H new ATOM 608 N ASN A 39 -9.766 -12.430 -2.845 1.00 0.00 N ATOM 609 CA ASN A 39 -9.442 -11.562 -1.718 1.00 0.00 C ATOM 610 C ASN A 39 -8.540 -10.413 -2.159 1.00 0.00 C ATOM 611 O ASN A 39 -7.335 -10.592 -2.342 1.00 0.00 O ATOM 612 CB ASN A 39 -8.760 -12.365 -0.609 1.00 0.00 C ATOM 613 CG ASN A 39 -8.924 -11.721 0.755 1.00 0.00 C ATOM 614 OD1 ASN A 39 -8.601 -10.548 0.942 1.00 0.00 O ATOM 615 ND2 ASN A 39 -9.426 -12.489 1.714 1.00 0.00 N ATOM 0 H ASN A 39 -9.420 -13.385 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.372 -11.143 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.176 -13.372 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.698 -12.464 -0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.558 -12.112 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.680 -13.456 1.512 1.00 0.00 H new ATOM 622 N CYS A 40 -9.131 -9.235 -2.326 1.00 0.00 N ATOM 623 CA CYS A 40 -8.381 -8.057 -2.745 1.00 0.00 C ATOM 624 C CYS A 40 -8.736 -6.851 -1.880 1.00 0.00 C ATOM 625 O CYS A 40 -9.657 -6.907 -1.066 1.00 0.00 O ATOM 626 CB CYS A 40 -8.660 -7.745 -4.216 1.00 0.00 C ATOM 627 SG CYS A 40 -7.681 -8.726 -5.377 1.00 0.00 S ATOM 0 H CYS A 40 -10.127 -9.071 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.319 -8.270 -2.622 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.718 -7.912 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.465 -6.688 -4.395 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.989 -8.392 -6.595 1.00 0.00 H new ATOM 633 N PHE A 41 -7.997 -5.761 -2.062 1.00 0.00 N ATOM 634 CA PHE A 41 -8.232 -4.542 -1.298 1.00 0.00 C ATOM 635 C PHE A 41 -8.311 -3.329 -2.219 1.00 0.00 C ATOM 636 O PHE A 41 -7.520 -3.189 -3.152 1.00 0.00 O ATOM 637 CB PHE A 41 -7.121 -4.341 -0.265 1.00 0.00 C ATOM 638 CG PHE A 41 -5.740 -4.514 -0.829 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.115 -3.475 -1.499 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.066 -5.717 -0.690 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.844 -3.631 -2.019 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.795 -5.879 -1.207 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.184 -4.835 -1.874 1.00 0.00 C ATOM 0 H PHE A 41 -7.231 -5.698 -2.732 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.186 -4.645 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.208 -3.341 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.263 -5.049 0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.627 -2.531 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.540 -6.537 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.368 -2.812 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.280 -6.821 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.192 -4.960 -2.281 1.00 0.00 H new ATOM 653 N THR A 42 -9.274 -2.452 -1.951 1.00 0.00 N ATOM 654 CA THR A 42 -9.460 -1.251 -2.756 1.00 0.00 C ATOM 655 C THR A 42 -8.323 -0.260 -2.535 1.00 0.00 C ATOM 656 O THR A 42 -7.832 -0.103 -1.418 1.00 0.00 O ATOM 657 CB THR A 42 -10.798 -0.560 -2.434 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.886 -0.292 -1.030 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.972 -1.426 -2.865 1.00 0.00 C ATOM 0 H THR A 42 -9.937 -2.551 -1.182 1.00 0.00 H new ATOM 0 HA THR A 42 -9.465 -1.567 -3.799 1.00 0.00 H new ATOM 0 HB THR A 42 -10.838 0.379 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.739 0.149 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.906 -0.917 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.918 -1.603 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.934 -2.379 -2.338 1.00 0.00 H new ATOM 667 N ALA A 43 -7.909 0.408 -3.607 1.00 0.00 N ATOM 668 CA ALA A 43 -6.831 1.386 -3.529 1.00 0.00 C ATOM 669 C ALA A 43 -7.070 2.377 -2.394 1.00 0.00 C ATOM 670 O ALA A 43 -6.154 2.706 -1.642 1.00 0.00 O ATOM 671 CB ALA A 43 -6.689 2.122 -4.853 1.00 0.00 C ATOM 0 H ALA A 43 -8.304 0.289 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.904 0.852 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.880 2.849 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.464 1.407 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.621 2.638 -5.084 1.00 0.00 H new ATOM 677 N GLY A 44 -8.308 2.849 -2.277 1.00 0.00 N ATOM 678 CA GLY A 44 -8.644 3.797 -1.232 1.00 0.00 C ATOM 679 C GLY A 44 -8.085 3.394 0.119 1.00 0.00 C ATOM 680 O GLY A 44 -7.387 4.174 0.766 1.00 0.00 O ATOM 0 H GLY A 44 -9.083 2.591 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.260 4.781 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.728 3.886 -1.161 1.00 0.00 H new ATOM 684 N GLU A 45 -8.395 2.174 0.545 1.00 0.00 N ATOM 685 CA GLU A 45 -7.921 1.671 1.829 1.00 0.00 C ATOM 686 C GLU A 45 -6.401 1.776 1.927 1.00 0.00 C ATOM 687 O GLU A 45 -5.864 2.224 2.939 1.00 0.00 O ATOM 688 CB GLU A 45 -8.356 0.217 2.025 1.00 0.00 C ATOM 689 CG GLU A 45 -9.862 0.040 2.116 1.00 0.00 C ATOM 690 CD GLU A 45 -10.257 -1.226 2.852 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.600 -1.553 3.862 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.222 -1.889 2.417 1.00 0.00 O ATOM 0 H GLU A 45 -8.972 1.516 0.021 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.362 2.284 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.978 -0.382 1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.897 -0.171 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.295 0.901 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.283 0.018 1.111 1.00 0.00 H new ATOM 699 N ALA A 46 -5.716 1.360 0.867 1.00 0.00 N ATOM 700 CA ALA A 46 -4.260 1.408 0.832 1.00 0.00 C ATOM 701 C ALA A 46 -3.747 2.789 1.228 1.00 0.00 C ATOM 702 O ALA A 46 -2.707 2.914 1.875 1.00 0.00 O ATOM 703 CB ALA A 46 -3.752 1.031 -0.552 1.00 0.00 C ATOM 0 H ALA A 46 -6.146 0.986 0.021 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.880 0.686 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.663 1.071 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.080 0.021 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.148 1.730 -1.288 1.00 0.00 H new ATOM 709 N VAL A 47 -4.482 3.824 0.834 1.00 0.00 N ATOM 710 CA VAL A 47 -4.102 5.196 1.148 1.00 0.00 C ATOM 711 C VAL A 47 -3.895 5.379 2.647 1.00 0.00 C ATOM 712 O VAL A 47 -2.852 5.864 3.086 1.00 0.00 O ATOM 713 CB VAL A 47 -5.164 6.198 0.661 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.792 7.614 1.074 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.335 6.102 -0.848 1.00 0.00 C ATOM 0 H VAL A 47 -5.345 3.738 0.296 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.164 5.392 0.628 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.116 5.947 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.555 8.308 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.725 7.670 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.829 7.879 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.090 6.817 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.387 6.326 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.651 5.094 -1.115 1.00 0.00 H new ATOM 725 N ASP A 48 -4.896 4.989 3.429 1.00 0.00 N ATOM 726 CA ASP A 48 -4.824 5.108 4.881 1.00 0.00 C ATOM 727 C ASP A 48 -3.734 4.204 5.447 1.00 0.00 C ATOM 728 O ASP A 48 -2.892 4.646 6.229 1.00 0.00 O ATOM 729 CB ASP A 48 -6.173 4.758 5.510 1.00 0.00 C ATOM 730 CG ASP A 48 -6.291 5.251 6.939 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.263 6.482 7.146 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.413 4.406 7.850 1.00 0.00 O ATOM 0 H ASP A 48 -5.767 4.588 3.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.576 6.141 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.973 5.193 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.311 3.677 5.489 1.00 0.00 H new ATOM 737 N TRP A 49 -3.757 2.938 5.048 1.00 0.00 N ATOM 738 CA TRP A 49 -2.771 1.971 5.518 1.00 0.00 C ATOM 739 C TRP A 49 -1.353 2.490 5.301 1.00 0.00 C ATOM 740 O TRP A 49 -0.518 2.438 6.204 1.00 0.00 O ATOM 741 CB TRP A 49 -2.953 0.634 4.797 1.00 0.00 C ATOM 742 CG TRP A 49 -1.690 -0.168 4.704 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.234 -0.854 3.615 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.724 -0.368 5.741 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.042 -1.469 3.912 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.293 -1.185 5.210 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.618 0.065 7.065 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.399 -1.577 5.959 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.481 -0.325 7.807 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.478 -1.139 7.253 1.00 0.00 C ATOM 0 H TRP A 49 -4.447 2.557 4.401 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.925 1.823 6.587 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.709 0.048 5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.332 0.820 3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.737 -0.906 2.660 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.505 -2.044 3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.381 0.693 7.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.168 -2.205 5.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.573 0.003 8.832 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.325 -1.426 7.859 1.00 0.00 H new ATOM 761 N LEU A 50 -1.089 2.991 4.099 1.00 0.00 N ATOM 762 CA LEU A 50 0.229 3.520 3.764 1.00 0.00 C ATOM 763 C LEU A 50 0.481 4.845 4.477 1.00 0.00 C ATOM 764 O LEU A 50 1.584 5.102 4.960 1.00 0.00 O ATOM 765 CB LEU A 50 0.354 3.710 2.252 1.00 0.00 C ATOM 766 CG LEU A 50 1.747 4.072 1.734 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.739 2.965 2.055 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.706 4.337 0.236 1.00 0.00 C ATOM 0 H LEU A 50 -1.769 3.042 3.341 1.00 0.00 H new ATOM 0 HA LEU A 50 0.978 2.801 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.034 2.790 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.340 4.492 1.946 1.00 0.00 H new ATOM 0 HG LEU A 50 2.076 4.983 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.725 3.239 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.789 2.823 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.415 2.038 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.705 4.593 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.357 3.444 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.026 5.164 0.031 1.00 0.00 H new ATOM 780 N TYR A 51 -0.550 5.681 4.542 1.00 0.00 N ATOM 781 CA TYR A 51 -0.440 6.979 5.197 1.00 0.00 C ATOM 782 C TYR A 51 0.131 6.834 6.604 1.00 0.00 C ATOM 783 O TYR A 51 1.110 7.490 6.959 1.00 0.00 O ATOM 784 CB TYR A 51 -1.808 7.660 5.257 1.00 0.00 C ATOM 785 CG TYR A 51 -1.813 8.940 6.063 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.603 8.920 7.436 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.026 10.169 5.451 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.607 10.086 8.177 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.030 11.340 6.183 1.00 0.00 C ATOM 790 CZ TYR A 51 -1.821 11.294 7.545 1.00 0.00 C ATOM 791 OH TYR A 51 -1.824 12.458 8.279 1.00 0.00 O ATOM 0 H TYR A 51 -1.470 5.483 4.149 1.00 0.00 H new ATOM 0 HA TYR A 51 0.241 7.596 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.141 7.878 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.531 6.967 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.434 7.976 7.933 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.191 10.209 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.444 10.052 9.244 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.196 12.287 5.691 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.273 13.131 7.827 1.00 0.00 H new ATOM 801 N ASP A 52 -0.488 5.969 7.400 1.00 0.00 N ATOM 802 CA ASP A 52 -0.042 5.734 8.768 1.00 0.00 C ATOM 803 C ASP A 52 1.427 5.324 8.798 1.00 0.00 C ATOM 804 O ASP A 52 2.192 5.776 9.651 1.00 0.00 O ATOM 805 CB ASP A 52 -0.899 4.654 9.429 1.00 0.00 C ATOM 806 CG ASP A 52 -0.337 4.204 10.763 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.722 3.543 10.768 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.958 4.512 11.802 1.00 0.00 O ATOM 0 H ASP A 52 -1.300 5.419 7.121 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.152 6.665 9.324 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.910 5.035 9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.974 3.795 8.762 1.00 0.00 H new ATOM 813 N LEU A 53 1.815 4.464 7.862 1.00 0.00 N ATOM 814 CA LEU A 53 3.193 3.991 7.781 1.00 0.00 C ATOM 815 C LEU A 53 4.154 5.152 7.548 1.00 0.00 C ATOM 816 O LEU A 53 5.164 5.285 8.241 1.00 0.00 O ATOM 817 CB LEU A 53 3.335 2.963 6.658 1.00 0.00 C ATOM 818 CG LEU A 53 4.455 1.936 6.826 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.037 0.845 7.800 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.833 1.335 5.480 1.00 0.00 C ATOM 0 H LEU A 53 1.195 4.080 7.149 1.00 0.00 H new ATOM 0 HA LEU A 53 3.446 3.519 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.390 2.428 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.497 3.497 5.722 1.00 0.00 H new ATOM 0 HG LEU A 53 5.329 2.443 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.847 0.123 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.816 1.289 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.148 0.340 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.632 0.606 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.964 0.842 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.175 2.125 4.812 1.00 0.00 H new ATOM 832 N LEU A 54 3.833 5.992 6.570 1.00 0.00 N ATOM 833 CA LEU A 54 4.667 7.144 6.246 1.00 0.00 C ATOM 834 C LEU A 54 4.589 8.199 7.345 1.00 0.00 C ATOM 835 O LEU A 54 5.589 8.514 7.989 1.00 0.00 O ATOM 836 CB LEU A 54 4.237 7.751 4.909 1.00 0.00 C ATOM 837 CG LEU A 54 4.151 6.782 3.729 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.390 7.414 2.574 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.543 6.358 3.285 1.00 0.00 C ATOM 0 H LEU A 54 3.001 5.897 5.988 1.00 0.00 H new ATOM 0 HA LEU A 54 5.699 6.803 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.261 8.218 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.938 8.545 4.651 1.00 0.00 H new ATOM 0 HG LEU A 54 3.608 5.894 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.339 6.710 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.380 7.667 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.904 8.319 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.463 5.669 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.111 7.237 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.054 5.864 4.112 1.00 0.00 H new ATOM 851 N ARG A 55 3.393 8.740 7.554 1.00 0.00 N ATOM 852 CA ARG A 55 3.183 9.759 8.576 1.00 0.00 C ATOM 853 C ARG A 55 3.922 9.399 9.862 1.00 0.00 C ATOM 854 O ARG A 55 4.495 10.264 10.522 1.00 0.00 O ATOM 855 CB ARG A 55 1.690 9.925 8.862 1.00 0.00 C ATOM 856 CG ARG A 55 1.059 8.714 9.529 1.00 0.00 C ATOM 857 CD ARG A 55 1.178 8.787 11.043 1.00 0.00 C ATOM 858 NE ARG A 55 0.026 9.447 11.652 1.00 0.00 N ATOM 859 CZ ARG A 55 0.066 10.052 12.834 1.00 0.00 C ATOM 860 NH1 ARG A 55 1.194 10.081 13.530 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.025 10.631 13.321 1.00 0.00 N ATOM 0 H ARG A 55 2.555 8.490 7.029 1.00 0.00 H new ATOM 0 HA ARG A 55 3.580 10.702 8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.546 10.797 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.170 10.126 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.008 8.649 9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.542 7.806 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.274 7.780 11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.087 9.326 11.309 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.857 9.443 11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.034 9.638 13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.222 10.546 14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.894 10.611 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.994 11.095 14.229 1.00 0.00 H new ATOM 875 N ASN A 56 3.902 8.117 10.210 1.00 0.00 N ATOM 876 CA ASN A 56 4.568 7.642 11.417 1.00 0.00 C ATOM 877 C ASN A 56 6.080 7.810 11.306 1.00 0.00 C ATOM 878 O ASN A 56 6.746 8.185 12.270 1.00 0.00 O ATOM 879 CB ASN A 56 4.224 6.173 11.671 1.00 0.00 C ATOM 880 CG ASN A 56 2.942 6.008 12.465 1.00 0.00 C ATOM 881 OD1 ASN A 56 2.890 6.627 13.639 1.00 0.00 O flip ATOM 882 ND2 ASN A 56 2.011 5.333 12.028 1.00 0.00 N flip ATOM 0 H ASN A 56 3.432 7.388 9.673 1.00 0.00 H new ATOM 0 HA ASN A 56 4.214 8.241 12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.126 5.655 10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.045 5.698 12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.095 4.875 11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.155 5.231 12.573 1.00 0.00 H new ATOM 889 N ASN A 57 6.615 7.530 10.122 1.00 0.00 N ATOM 890 CA ASN A 57 8.049 7.650 9.883 1.00 0.00 C ATOM 891 C ASN A 57 8.504 9.100 10.018 1.00 0.00 C ATOM 892 O ASN A 57 7.696 10.025 9.933 1.00 0.00 O ATOM 893 CB ASN A 57 8.402 7.120 8.492 1.00 0.00 C ATOM 894 CG ASN A 57 8.767 5.648 8.509 1.00 0.00 C ATOM 895 OD1 ASN A 57 9.118 5.096 9.552 1.00 0.00 O ATOM 896 ND2 ASN A 57 8.685 5.005 7.350 1.00 0.00 N ATOM 0 H ASN A 57 6.077 7.218 9.313 1.00 0.00 H new ATOM 0 HA ASN A 57 8.568 7.054 10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.556 7.274 7.822 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.236 7.694 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.918 4.013 7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.389 5.503 6.510 1.00 0.00 H new ATOM 903 N SER A 58 9.802 9.290 10.228 1.00 0.00 N ATOM 904 CA SER A 58 10.365 10.627 10.378 1.00 0.00 C ATOM 905 C SER A 58 10.707 11.228 9.018 1.00 0.00 C ATOM 906 O SER A 58 10.410 12.391 8.748 1.00 0.00 O ATOM 907 CB SER A 58 11.615 10.582 11.258 1.00 0.00 C ATOM 908 OG SER A 58 11.827 11.824 11.907 1.00 0.00 O ATOM 0 H SER A 58 10.484 8.535 10.298 1.00 0.00 H new ATOM 0 HA SER A 58 9.616 11.258 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.511 9.792 12.002 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.484 10.334 10.649 1.00 0.00 H new ATOM 0 HG SER A 58 12.631 11.769 12.465 1.00 0.00 H new ATOM 914 N ASN A 59 11.334 10.425 8.164 1.00 0.00 N ATOM 915 CA ASN A 59 11.718 10.877 6.832 1.00 0.00 C ATOM 916 C ASN A 59 10.608 11.710 6.199 1.00 0.00 C ATOM 917 O ASN A 59 10.840 12.833 5.750 1.00 0.00 O ATOM 918 CB ASN A 59 12.044 9.678 5.939 1.00 0.00 C ATOM 919 CG ASN A 59 13.502 9.270 6.027 1.00 0.00 C ATOM 920 OD1 ASN A 59 14.197 9.187 5.014 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.972 9.013 7.242 1.00 0.00 N ATOM 0 H ASN A 59 11.587 9.459 8.371 1.00 0.00 H new ATOM 0 HA ASN A 59 12.606 11.502 6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.416 8.834 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.800 9.922 4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.945 8.734 7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.360 9.095 8.054 1.00 0.00 H new ATOM 928 N PHE A 60 9.402 11.153 6.167 1.00 0.00 N ATOM 929 CA PHE A 60 8.256 11.844 5.589 1.00 0.00 C ATOM 930 C PHE A 60 7.579 12.736 6.626 1.00 0.00 C ATOM 931 O PHE A 60 7.202 13.870 6.334 1.00 0.00 O ATOM 932 CB PHE A 60 7.250 10.833 5.035 1.00 0.00 C ATOM 933 CG PHE A 60 7.796 9.997 3.914 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.521 8.846 4.179 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.584 10.361 2.594 1.00 0.00 C ATOM 936 CE1 PHE A 60 9.026 8.076 3.148 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.086 9.594 1.559 1.00 0.00 C ATOM 938 CZ PHE A 60 8.806 8.449 1.837 1.00 0.00 C ATOM 0 H PHE A 60 9.193 10.225 6.535 1.00 0.00 H new ATOM 0 HA PHE A 60 8.615 12.472 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.925 10.176 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.367 11.367 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.693 8.547 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.020 11.255 2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.592 7.183 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.915 9.890 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.196 7.846 1.030 1.00 0.00 H new ATOM 948 N GLY A 61 7.429 12.214 7.840 1.00 0.00 N ATOM 949 CA GLY A 61 6.797 12.975 8.901 1.00 0.00 C ATOM 950 C GLY A 61 5.284 12.938 8.820 1.00 0.00 C ATOM 951 O GLY A 61 4.705 12.495 7.828 1.00 0.00 O ATOM 0 H GLY A 61 7.734 11.278 8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.116 12.581 9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.135 14.010 8.852 1.00 0.00 H new ATOM 955 N PRO A 62 4.618 13.412 9.884 1.00 0.00 N ATOM 956 CA PRO A 62 3.154 13.441 9.954 1.00 0.00 C ATOM 957 C PRO A 62 2.549 14.463 8.998 1.00 0.00 C ATOM 958 O PRO A 62 1.346 14.447 8.738 1.00 0.00 O ATOM 959 CB PRO A 62 2.876 13.837 11.406 1.00 0.00 C ATOM 960 CG PRO A 62 4.091 14.584 11.835 1.00 0.00 C ATOM 961 CD PRO A 62 5.244 13.955 11.101 1.00 0.00 C ATOM 0 HA PRO A 62 2.713 12.487 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.983 14.457 11.483 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.710 12.959 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.004 15.643 11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.231 14.515 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.016 14.687 10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.718 13.172 11.693 1.00 0.00 H new ATOM 969 N GLU A 63 3.391 15.351 8.477 1.00 0.00 N ATOM 970 CA GLU A 63 2.937 16.380 7.549 1.00 0.00 C ATOM 971 C GLU A 63 2.328 15.755 6.297 1.00 0.00 C ATOM 972 O GLU A 63 1.559 16.396 5.581 1.00 0.00 O ATOM 973 CB GLU A 63 4.099 17.297 7.162 1.00 0.00 C ATOM 974 CG GLU A 63 5.220 16.581 6.427 1.00 0.00 C ATOM 975 CD GLU A 63 6.009 17.508 5.523 1.00 0.00 C ATOM 976 OE1 GLU A 63 5.538 17.785 4.400 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.098 17.956 5.938 1.00 0.00 O ATOM 0 H GLU A 63 4.390 15.378 8.682 1.00 0.00 H new ATOM 0 HA GLU A 63 2.169 16.970 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.721 18.103 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.503 17.758 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.894 16.127 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.800 15.770 5.832 1.00 0.00 H new ATOM 984 N VAL A 64 2.679 14.499 6.040 1.00 0.00 N ATOM 985 CA VAL A 64 2.168 13.785 4.876 1.00 0.00 C ATOM 986 C VAL A 64 0.644 13.800 4.847 1.00 0.00 C ATOM 987 O VAL A 64 -0.010 13.549 5.860 1.00 0.00 O ATOM 988 CB VAL A 64 2.656 12.325 4.854 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.025 11.533 5.988 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.351 11.682 3.509 1.00 0.00 C ATOM 0 H VAL A 64 3.315 13.955 6.622 1.00 0.00 H new ATOM 0 HA VAL A 64 2.550 14.301 3.996 1.00 0.00 H new ATOM 0 HB VAL A 64 3.737 12.319 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.382 10.504 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.299 11.982 6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.940 11.544 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.703 10.650 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.275 11.698 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.856 12.236 2.718 1.00 0.00 H new ATOM 1000 N THR A 65 0.082 14.096 3.679 1.00 0.00 N ATOM 1001 CA THR A 65 -1.366 14.145 3.518 1.00 0.00 C ATOM 1002 C THR A 65 -1.829 13.193 2.421 1.00 0.00 C ATOM 1003 O THR A 65 -1.022 12.700 1.633 1.00 0.00 O ATOM 1004 CB THR A 65 -1.846 15.570 3.182 1.00 0.00 C ATOM 1005 OG1 THR A 65 -1.184 16.045 2.005 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.576 16.519 4.340 1.00 0.00 C ATOM 0 H THR A 65 0.608 14.305 2.831 1.00 0.00 H new ATOM 0 HA THR A 65 -1.801 13.838 4.469 1.00 0.00 H new ATOM 0 HB THR A 65 -2.921 15.535 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.496 16.951 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.923 17.519 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.105 16.171 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.506 16.548 4.544 1.00 0.00 H new ATOM 1014 N ARG A 66 -3.133 12.939 2.376 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.703 12.045 1.376 1.00 0.00 C ATOM 1016 C ARG A 66 -3.017 12.232 0.026 1.00 0.00 C ATOM 1017 O ARG A 66 -2.528 11.272 -0.570 1.00 0.00 O ATOM 1018 CB ARG A 66 -5.206 12.295 1.235 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.947 11.170 0.531 1.00 0.00 C ATOM 1020 CD ARG A 66 -7.314 11.623 0.043 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.213 12.669 -0.971 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.214 13.968 -0.690 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -7.308 14.377 0.567 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -7.119 14.860 -1.668 1.00 0.00 N ATOM 0 H ARG A 66 -3.814 13.340 3.021 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.542 11.019 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.637 12.438 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.361 13.222 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.356 10.817 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.064 10.327 1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.853 10.770 -0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.897 11.991 0.887 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.138 12.387 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.380 13.694 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.309 15.374 0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.045 14.549 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.120 15.857 -1.451 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.986 13.473 -0.450 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.361 13.784 -1.730 1.00 0.00 C ATOM 1040 C GLN A 67 -0.972 13.162 -1.823 1.00 0.00 C ATOM 1041 O GLN A 67 -0.651 12.482 -2.797 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.268 15.299 -1.921 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.502 15.907 -2.568 1.00 0.00 C ATOM 1044 CD GLN A 67 -3.367 17.400 -2.792 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.550 17.847 -3.599 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.169 18.182 -2.078 1.00 0.00 N ATOM 0 H GLN A 67 -3.386 14.278 0.031 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.982 13.362 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.107 15.770 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.396 15.527 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.687 15.415 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.370 15.715 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.831 17.769 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.123 19.195 -2.187 1.00 0.00 H new ATOM 1055 N GLN A 68 -0.152 13.399 -0.804 1.00 0.00 N ATOM 1056 CA GLN A 68 1.203 12.863 -0.772 1.00 0.00 C ATOM 1057 C GLN A 68 1.185 11.338 -0.796 1.00 0.00 C ATOM 1058 O GLN A 68 1.914 10.709 -1.563 1.00 0.00 O ATOM 1059 CB GLN A 68 1.941 13.357 0.473 1.00 0.00 C ATOM 1060 CG GLN A 68 2.517 14.756 0.323 1.00 0.00 C ATOM 1061 CD GLN A 68 1.558 15.711 -0.360 1.00 0.00 C ATOM 1062 OE1 GLN A 68 1.201 15.524 -1.523 1.00 0.00 O ATOM 1063 NE2 GLN A 68 1.136 16.744 0.361 1.00 0.00 N ATOM 0 H GLN A 68 -0.403 13.959 0.011 1.00 0.00 H new ATOM 0 HA GLN A 68 1.728 13.216 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.256 13.344 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.749 12.663 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.773 15.147 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.443 14.704 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.458 16.861 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.490 17.420 -0.046 1.00 0.00 H new ATOM 1072 N THR A 69 0.347 10.748 0.051 1.00 0.00 N ATOM 1073 CA THR A 69 0.236 9.297 0.129 1.00 0.00 C ATOM 1074 C THR A 69 -0.032 8.691 -1.244 1.00 0.00 C ATOM 1075 O THR A 69 0.597 7.706 -1.631 1.00 0.00 O ATOM 1076 CB THR A 69 -0.888 8.871 1.094 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.716 9.516 2.361 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.894 7.361 1.284 1.00 0.00 C ATOM 0 H THR A 69 -0.265 11.253 0.692 1.00 0.00 H new ATOM 0 HA THR A 69 1.189 8.927 0.506 1.00 0.00 H new ATOM 0 HB THR A 69 -1.842 9.171 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.421 10.185 2.486 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.695 7.084 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.054 6.874 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.063 7.042 1.697 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.968 9.286 -1.975 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.317 8.806 -3.306 1.00 0.00 C ATOM 1088 C ILE A 70 -0.146 8.961 -4.271 1.00 0.00 C ATOM 1089 O ILE A 70 0.161 8.050 -5.040 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.537 9.555 -3.873 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.767 9.309 -2.996 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.807 9.120 -5.306 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.906 10.266 -3.270 1.00 0.00 C ATOM 0 H ILE A 70 -1.498 10.101 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.565 7.749 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.321 10.623 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.116 8.288 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.478 9.391 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.672 9.658 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.936 9.341 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.006 8.049 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.743 10.033 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.575 11.288 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.222 10.168 -4.309 1.00 0.00 H new ATOM 1105 N GLN A 71 0.504 10.119 -4.223 1.00 0.00 N ATOM 1106 CA GLN A 71 1.642 10.393 -5.092 1.00 0.00 C ATOM 1107 C GLN A 71 2.684 9.283 -4.990 1.00 0.00 C ATOM 1108 O GLN A 71 3.101 8.715 -6.000 1.00 0.00 O ATOM 1109 CB GLN A 71 2.275 11.738 -4.731 1.00 0.00 C ATOM 1110 CG GLN A 71 1.449 12.936 -5.172 1.00 0.00 C ATOM 1111 CD GLN A 71 2.294 14.174 -5.400 1.00 0.00 C ATOM 1112 OE1 GLN A 71 2.262 15.116 -4.609 1.00 0.00 O ATOM 1113 NE2 GLN A 71 3.057 14.178 -6.488 1.00 0.00 N ATOM 0 H GLN A 71 0.262 10.883 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 71 1.281 10.434 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.420 11.784 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.263 11.800 -5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.918 12.688 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.694 13.150 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.053 13.375 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.647 14.984 -6.694 1.00 0.00 H new ATOM 1122 N LEU A 72 3.100 8.980 -3.766 1.00 0.00 N ATOM 1123 CA LEU A 72 4.094 7.939 -3.531 1.00 0.00 C ATOM 1124 C LEU A 72 3.596 6.588 -4.035 1.00 0.00 C ATOM 1125 O LEU A 72 4.345 5.829 -4.652 1.00 0.00 O ATOM 1126 CB LEU A 72 4.426 7.850 -2.041 1.00 0.00 C ATOM 1127 CG LEU A 72 5.380 6.727 -1.632 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.750 6.936 -2.257 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.490 6.646 -0.116 1.00 0.00 C ATOM 0 H LEU A 72 2.764 9.441 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 72 4.997 8.202 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.860 8.800 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.495 7.728 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 72 4.977 5.783 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.415 6.127 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.657 6.943 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.161 7.888 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.173 5.841 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.869 7.591 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.507 6.447 0.310 1.00 0.00 H new ATOM 1141 N LEU A 73 2.328 6.294 -3.769 1.00 0.00 N ATOM 1142 CA LEU A 73 1.728 5.035 -4.198 1.00 0.00 C ATOM 1143 C LEU A 73 2.073 4.735 -5.653 1.00 0.00 C ATOM 1144 O LEU A 73 2.413 3.603 -5.999 1.00 0.00 O ATOM 1145 CB LEU A 73 0.210 5.085 -4.022 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.492 3.736 -3.861 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.277 3.187 -2.459 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -1.978 3.868 -4.162 1.00 0.00 C ATOM 0 H LEU A 73 1.695 6.910 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 73 2.134 4.237 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.014 5.695 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.219 5.595 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.059 3.035 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.784 2.227 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.790 3.054 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.683 3.886 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.461 2.898 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.426 4.584 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.112 4.216 -5.186 1.00 0.00 H new ATOM 1160 N ARG A 74 1.986 5.755 -6.499 1.00 0.00 N ATOM 1161 CA ARG A 74 2.290 5.601 -7.916 1.00 0.00 C ATOM 1162 C ARG A 74 3.577 4.805 -8.113 1.00 0.00 C ATOM 1163 O ARG A 74 3.640 3.902 -8.948 1.00 0.00 O ATOM 1164 CB ARG A 74 2.418 6.971 -8.585 1.00 0.00 C ATOM 1165 CG ARG A 74 1.143 7.795 -8.534 1.00 0.00 C ATOM 1166 CD ARG A 74 1.404 9.250 -8.891 1.00 0.00 C ATOM 1167 NE ARG A 74 0.248 9.874 -9.529 1.00 0.00 N ATOM 1168 CZ ARG A 74 0.059 11.187 -9.584 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.946 12.011 -9.043 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.018 11.679 -10.182 1.00 0.00 N ATOM 0 H ARG A 74 1.707 6.698 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 74 1.469 5.053 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.220 7.528 -8.102 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.709 6.832 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.410 7.376 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.711 7.736 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.662 9.804 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.263 9.311 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.453 9.268 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.776 11.636 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.798 13.019 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.702 11.048 -10.600 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.162 12.688 -10.224 1.00 0.00 H new ATOM 1184 N LYS A 75 4.601 5.145 -7.338 1.00 0.00 N ATOM 1185 CA LYS A 75 5.887 4.463 -7.425 1.00 0.00 C ATOM 1186 C LYS A 75 5.722 2.962 -7.212 1.00 0.00 C ATOM 1187 O LYS A 75 6.209 2.155 -8.004 1.00 0.00 O ATOM 1188 CB LYS A 75 6.860 5.032 -6.390 1.00 0.00 C ATOM 1189 CG LYS A 75 7.681 6.202 -6.905 1.00 0.00 C ATOM 1190 CD LYS A 75 8.537 6.809 -5.806 1.00 0.00 C ATOM 1191 CE LYS A 75 9.017 8.203 -6.179 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.075 8.164 -7.226 1.00 0.00 N ATOM 0 H LYS A 75 4.565 5.890 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 75 6.291 4.628 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.298 5.352 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.535 4.240 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.320 5.868 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.016 6.964 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.963 6.856 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.396 6.166 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.174 8.794 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.403 8.704 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.375 9.134 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.890 7.622 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.699 7.709 -8.082 1.00 0.00 H new ATOM 1206 N PHE A 76 5.031 2.594 -6.139 1.00 0.00 N ATOM 1207 CA PHE A 76 4.801 1.189 -5.822 1.00 0.00 C ATOM 1208 C PHE A 76 4.371 0.415 -7.065 1.00 0.00 C ATOM 1209 O PHE A 76 5.067 -0.498 -7.513 1.00 0.00 O ATOM 1210 CB PHE A 76 3.735 1.057 -4.732 1.00 0.00 C ATOM 1211 CG PHE A 76 4.254 1.334 -3.350 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.549 2.628 -2.953 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.447 0.300 -2.449 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.026 2.886 -1.681 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.923 0.551 -1.176 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.215 1.846 -0.792 1.00 0.00 C ATOM 0 H PHE A 76 4.620 3.249 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 76 5.737 0.767 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.918 1.745 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.320 0.049 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.405 3.445 -3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.223 -0.714 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.250 3.900 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.067 -0.264 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.590 2.044 0.201 1.00 0.00 H new ATOM 1226 N LEU A 77 3.221 0.785 -7.617 1.00 0.00 N ATOM 1227 CA LEU A 77 2.697 0.125 -8.808 1.00 0.00 C ATOM 1228 C LEU A 77 3.731 0.124 -9.929 1.00 0.00 C ATOM 1229 O LEU A 77 3.824 -0.829 -10.702 1.00 0.00 O ATOM 1230 CB LEU A 77 1.418 0.821 -9.279 1.00 0.00 C ATOM 1231 CG LEU A 77 0.852 0.349 -10.619 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.212 -1.022 -10.475 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.154 1.356 -11.157 1.00 0.00 C ATOM 0 H LEU A 77 2.634 1.538 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 77 2.467 -0.909 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.652 0.685 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.614 1.891 -9.347 1.00 0.00 H new ATOM 0 HG LEU A 77 1.673 0.270 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.185 -1.341 -11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.960 -1.739 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.598 -0.971 -9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.547 1.004 -12.111 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.973 1.467 -10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.336 2.319 -11.299 1.00 0.00 H new ATOM 1245 N LYS A 78 4.508 1.199 -10.011 1.00 0.00 N ATOM 1246 CA LYS A 78 5.539 1.322 -11.035 1.00 0.00 C ATOM 1247 C LYS A 78 6.643 0.291 -10.822 1.00 0.00 C ATOM 1248 O LYS A 78 7.132 -0.314 -11.775 1.00 0.00 O ATOM 1249 CB LYS A 78 6.134 2.732 -11.022 1.00 0.00 C ATOM 1250 CG LYS A 78 7.275 2.920 -12.006 1.00 0.00 C ATOM 1251 CD LYS A 78 7.677 4.380 -12.123 1.00 0.00 C ATOM 1252 CE LYS A 78 8.651 4.780 -11.025 1.00 0.00 C ATOM 1253 NZ LYS A 78 9.973 4.115 -11.188 1.00 0.00 N ATOM 0 H LYS A 78 4.443 1.998 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 78 5.077 1.138 -12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.347 3.451 -11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.491 2.957 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.134 2.330 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.978 2.544 -12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.133 4.556 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.788 5.009 -12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.785 5.862 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.231 4.519 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.701 4.661 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.929 3.153 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.214 4.065 -12.198 1.00 0.00 H new ATOM 1267 N ASN A 79 7.030 0.095 -9.566 1.00 0.00 N ATOM 1268 CA ASN A 79 8.075 -0.864 -9.228 1.00 0.00 C ATOM 1269 C ASN A 79 7.515 -2.281 -9.167 1.00 0.00 C ATOM 1270 O ASN A 79 8.150 -3.189 -8.630 1.00 0.00 O ATOM 1271 CB ASN A 79 8.718 -0.499 -7.889 1.00 0.00 C ATOM 1272 CG ASN A 79 9.865 0.481 -8.045 1.00 0.00 C ATOM 1273 OD1 ASN A 79 11.017 0.083 -8.218 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.553 1.771 -7.984 1.00 0.00 N ATOM 0 H ASN A 79 6.635 0.588 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 79 8.834 -0.826 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.963 -0.068 -7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.082 -1.405 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.282 2.477 -8.082 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.584 2.055 -7.839 1.00 0.00 H new ATOM 1281 N HIS A 80 6.320 -2.464 -9.721 1.00 0.00 N ATOM 1282 CA HIS A 80 5.674 -3.771 -9.730 1.00 0.00 C ATOM 1283 C HIS A 80 5.501 -4.302 -8.311 1.00 0.00 C ATOM 1284 O HIS A 80 5.553 -5.510 -8.078 1.00 0.00 O ATOM 1285 CB HIS A 80 6.489 -4.761 -10.562 1.00 0.00 C ATOM 1286 CG HIS A 80 5.906 -6.140 -10.594 1.00 0.00 C ATOM 1287 ND1 HIS A 80 4.649 -6.576 -10.347 1.00 0.00 N flip ATOM 1288 CD2 HIS A 80 6.644 -7.262 -10.906 1.00 0.00 C flip ATOM 1289 CE1 HIS A 80 4.649 -7.938 -10.515 1.00 0.00 C flip ATOM 1290 NE2 HIS A 80 5.865 -8.328 -10.853 1.00 0.00 N flip ATOM 0 H HIS A 80 5.780 -1.724 -10.169 1.00 0.00 H new ATOM 0 HA HIS A 80 4.687 -3.657 -10.179 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.569 -4.386 -11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.501 -4.813 -10.161 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.695 -7.269 -11.155 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.794 -8.586 -10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.153 -9.288 -11.041 1.00 0.00 H new ATOM 1298 N VAL A 81 5.297 -3.392 -7.364 1.00 0.00 N ATOM 1299 CA VAL A 81 5.117 -3.769 -5.967 1.00 0.00 C ATOM 1300 C VAL A 81 3.685 -4.217 -5.699 1.00 0.00 C ATOM 1301 O VAL A 81 3.445 -5.105 -4.880 1.00 0.00 O ATOM 1302 CB VAL A 81 5.464 -2.603 -5.022 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.313 -3.029 -3.570 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.873 -2.098 -5.294 1.00 0.00 C ATOM 0 H VAL A 81 5.252 -2.388 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 81 5.797 -4.599 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 81 4.767 -1.786 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.562 -2.192 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.284 -3.338 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.984 -3.863 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.101 -1.274 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.586 -2.907 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.942 -1.751 -6.325 1.00 0.00 H new ATOM 1314 N ILE A 82 2.737 -3.597 -6.394 1.00 0.00 N ATOM 1315 CA ILE A 82 1.328 -3.934 -6.232 1.00 0.00 C ATOM 1316 C ILE A 82 0.614 -3.975 -7.579 1.00 0.00 C ATOM 1317 O ILE A 82 0.623 -2.998 -8.326 1.00 0.00 O ATOM 1318 CB ILE A 82 0.611 -2.926 -5.314 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.912 -1.494 -5.759 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.030 -3.137 -3.867 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.099 -0.450 -5.025 1.00 0.00 C ATOM 0 H ILE A 82 2.919 -2.859 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 82 1.290 -4.922 -5.774 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.464 -3.090 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.972 -1.290 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.720 -1.406 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.515 -2.417 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.769 -4.149 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.107 -2.996 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.364 0.542 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.962 -0.628 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.309 -0.510 -3.957 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.004 -5.113 -7.880 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.724 -5.280 -9.137 1.00 0.00 C ATOM 1335 C GLU A 83 -2.227 -5.124 -8.928 1.00 0.00 C ATOM 1336 O GLU A 83 -2.751 -5.430 -7.857 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.422 -6.652 -9.744 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.430 -7.088 -10.794 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.972 -8.307 -11.572 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.253 -8.468 -11.753 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.838 -9.099 -11.998 1.00 0.00 O ATOM 0 H GLU A 83 -0.021 -5.932 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.388 -4.504 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.571 -6.631 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.396 -7.395 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.382 -7.307 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.607 -6.265 -11.486 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.915 -4.644 -9.958 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.358 -4.447 -9.889 1.00 0.00 C ATOM 1350 C ASP A 84 -5.098 -5.762 -10.112 1.00 0.00 C ATOM 1351 O ASP A 84 -4.494 -6.770 -10.482 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.804 -3.415 -10.926 1.00 0.00 C ATOM 1353 CG ASP A 84 -3.947 -2.164 -10.903 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.713 -2.287 -11.046 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.512 -1.062 -10.743 1.00 0.00 O ATOM 0 H ASP A 84 -2.496 -4.384 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.601 -4.078 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.764 -3.862 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.843 -3.144 -10.741 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.407 -5.745 -9.884 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.228 -6.936 -10.060 1.00 0.00 C ATOM 1362 C ILE A 85 -7.148 -7.453 -11.493 1.00 0.00 C ATOM 1363 O ILE A 85 -7.200 -8.659 -11.734 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.702 -6.661 -9.707 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.580 -7.837 -10.140 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.172 -5.372 -10.364 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.340 -9.098 -9.339 1.00 0.00 C ATOM 0 H ILE A 85 -6.921 -4.919 -9.577 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.835 -7.693 -9.381 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.787 -6.547 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.628 -7.551 -10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.399 -8.046 -11.194 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.215 -5.191 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.561 -4.541 -10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.076 -5.459 -11.446 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.997 -9.889 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.301 -9.408 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.549 -8.906 -8.287 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.018 -6.532 -12.441 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.927 -6.892 -13.851 1.00 0.00 C ATOM 1381 C LYS A 86 -5.486 -7.208 -14.240 1.00 0.00 C ATOM 1382 O LYS A 86 -5.222 -8.184 -14.941 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.465 -5.757 -14.725 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.966 -5.818 -14.946 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.729 -5.674 -13.640 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.909 -4.212 -13.259 1.00 0.00 C ATOM 1387 NZ LYS A 86 -11.106 -4.008 -12.396 1.00 0.00 N ATOM 0 H LYS A 86 -6.973 -5.529 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.532 -7.784 -14.012 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.213 -4.803 -14.262 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.963 -5.785 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.266 -5.026 -15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.227 -6.765 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.705 -6.150 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.195 -6.195 -12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.020 -3.861 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.006 -3.610 -14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.790 -3.399 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.546 -4.927 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.819 -3.554 -11.505 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.557 -6.376 -13.778 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.155 -6.585 -14.087 1.00 0.00 C ATOM 1403 C GLY A 87 -2.506 -5.359 -14.698 1.00 0.00 C ATOM 1404 O GLY A 87 -1.725 -5.467 -15.643 1.00 0.00 O ATOM 0 H GLY A 87 -4.751 -5.561 -13.195 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.622 -6.858 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.059 -7.424 -14.776 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.832 -4.189 -14.159 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.278 -2.936 -14.659 1.00 0.00 C ATOM 1410 C ARG A 88 -0.896 -2.678 -14.066 1.00 0.00 C ATOM 1411 O ARG A 88 -0.401 -1.551 -14.090 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.213 -1.772 -14.328 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.611 -1.931 -14.902 1.00 0.00 C ATOM 1414 CD ARG A 88 -5.551 -0.851 -14.389 1.00 0.00 C ATOM 1415 NE ARG A 88 -6.228 -1.253 -13.160 1.00 0.00 N ATOM 1416 CZ ARG A 88 -7.376 -0.726 -12.747 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -7.970 0.219 -13.462 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -7.931 -1.144 -11.617 1.00 0.00 N ATOM 0 H ARG A 88 -3.477 -4.082 -13.376 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.180 -3.017 -15.742 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.284 -1.671 -13.245 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.777 -0.848 -14.707 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.566 -1.888 -15.990 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.004 -2.913 -14.638 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.987 0.065 -14.209 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.293 -0.623 -15.154 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.796 -1.978 -12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.546 0.543 -14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.851 0.622 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.477 -1.871 -11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.812 -0.739 -11.301 1.00 0.00 H new ATOM 1432 N TRP A 89 -0.280 -3.728 -13.535 1.00 0.00 N ATOM 1433 CA TRP A 89 1.044 -3.614 -12.935 1.00 0.00 C ATOM 1434 C TRP A 89 2.021 -2.945 -13.896 1.00 0.00 C ATOM 1435 O TRP A 89 1.802 -2.926 -15.106 1.00 0.00 O ATOM 1436 CB TRP A 89 1.567 -4.995 -12.537 1.00 0.00 C ATOM 1437 CG TRP A 89 2.038 -5.811 -13.703 1.00 0.00 C ATOM 1438 CD1 TRP A 89 1.259 -6.478 -14.604 1.00 0.00 C ATOM 1439 CD2 TRP A 89 3.396 -6.046 -14.091 1.00 0.00 C ATOM 1440 NE1 TRP A 89 2.051 -7.115 -15.529 1.00 0.00 N ATOM 1441 CE2 TRP A 89 3.366 -6.864 -15.237 1.00 0.00 C ATOM 1442 CE3 TRP A 89 4.634 -5.643 -13.583 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 4.526 -7.287 -15.880 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 5.785 -6.064 -14.223 1.00 0.00 C ATOM 1445 CH2 TRP A 89 5.724 -6.878 -15.362 1.00 0.00 C ATOM 0 H TRP A 89 -0.676 -4.668 -13.508 1.00 0.00 H new ATOM 0 HA TRP A 89 0.959 -2.994 -12.042 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.389 -4.875 -11.831 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.778 -5.539 -12.018 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.179 -6.502 -14.592 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.714 -7.683 -16.307 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.691 -5.014 -12.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 4.482 -7.916 -16.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.747 -5.760 -13.839 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.641 -7.189 -15.840 1.00 0.00 H new ATOM 1456 N GLY A 90 3.101 -2.396 -13.348 1.00 0.00 N ATOM 1457 CA GLY A 90 4.096 -1.733 -14.172 1.00 0.00 C ATOM 1458 C GLY A 90 3.652 -0.356 -14.621 1.00 0.00 C ATOM 1459 O GLY A 90 3.978 0.080 -15.725 1.00 0.00 O ATOM 0 H GLY A 90 3.305 -2.398 -12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.027 -1.647 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.306 -2.347 -15.048 1.00 0.00 H new ATOM 1463 N SER A 91 2.904 0.332 -13.764 1.00 0.00 N ATOM 1464 CA SER A 91 2.409 1.667 -14.081 1.00 0.00 C ATOM 1465 C SER A 91 2.428 2.561 -12.846 1.00 0.00 C ATOM 1466 O SER A 91 2.790 2.122 -11.755 1.00 0.00 O ATOM 1467 CB SER A 91 0.989 1.587 -14.645 1.00 0.00 C ATOM 1468 OG SER A 91 0.990 1.051 -15.957 1.00 0.00 O ATOM 0 H SER A 91 2.627 -0.013 -12.845 1.00 0.00 H new ATOM 0 HA SER A 91 3.067 2.102 -14.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.371 0.966 -13.996 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.542 2.581 -14.655 1.00 0.00 H new ATOM 0 HG SER A 91 0.071 1.009 -16.294 1.00 0.00 H new ATOM 1474 N GLU A 92 2.036 3.818 -13.027 1.00 0.00 N ATOM 1475 CA GLU A 92 2.009 4.775 -11.927 1.00 0.00 C ATOM 1476 C GLU A 92 0.587 5.264 -11.666 1.00 0.00 C ATOM 1477 O GLU A 92 0.241 5.628 -10.543 1.00 0.00 O ATOM 1478 CB GLU A 92 2.921 5.965 -12.234 1.00 0.00 C ATOM 1479 CG GLU A 92 4.390 5.693 -11.956 1.00 0.00 C ATOM 1480 CD GLU A 92 5.280 6.863 -12.327 1.00 0.00 C ATOM 1481 OE1 GLU A 92 5.373 7.178 -13.532 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.883 7.464 -11.414 1.00 0.00 O ATOM 0 H GLU A 92 1.733 4.197 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 92 2.371 4.270 -11.031 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.803 6.242 -13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.600 6.821 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.519 5.464 -10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.704 4.811 -12.514 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.231 5.271 -12.713 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.615 5.716 -12.598 1.00 0.00 C ATOM 1491 C ASN A 93 -2.328 4.990 -11.461 1.00 0.00 C ATOM 1492 O ASN A 93 -2.702 3.825 -11.593 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.359 5.481 -13.914 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.732 6.127 -13.926 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.329 6.361 -12.875 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.238 6.417 -15.118 1.00 0.00 N ATOM 0 H ASN A 93 0.040 4.974 -13.650 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.610 6.783 -12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.767 5.877 -14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.463 4.409 -14.083 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.158 6.852 -15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.707 6.205 -15.963 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.513 5.688 -10.345 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.183 5.111 -9.185 1.00 0.00 C ATOM 1505 C VAL A 94 -4.025 6.155 -8.461 1.00 0.00 C ATOM 1506 O VAL A 94 -3.499 7.135 -7.934 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.169 4.508 -8.195 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.395 3.372 -8.847 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.223 5.582 -7.681 1.00 0.00 C ATOM 0 H VAL A 94 -2.209 6.653 -10.219 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.833 4.319 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.717 4.101 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.684 2.959 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.089 2.592 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.857 3.750 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.513 5.138 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.681 6.021 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.795 6.358 -7.173 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.335 5.938 -8.438 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.252 6.860 -7.777 1.00 0.00 C ATOM 1521 C ASP A 95 -6.856 6.223 -6.529 1.00 0.00 C ATOM 1522 O ASP A 95 -6.728 5.018 -6.310 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.364 7.283 -8.737 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.940 8.643 -8.392 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.254 9.658 -8.637 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -9.077 8.691 -7.879 1.00 0.00 O ATOM 0 H ASP A 95 -5.786 5.132 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.687 7.742 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.973 7.305 -9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.160 6.539 -8.717 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.512 7.041 -5.713 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.136 6.558 -4.486 1.00 0.00 C ATOM 1533 C ASP A 96 -9.488 5.916 -4.780 1.00 0.00 C ATOM 1534 O ASP A 96 -10.293 5.701 -3.876 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.308 7.706 -3.491 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.584 8.490 -3.726 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -9.608 9.319 -4.660 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -10.559 8.274 -2.977 1.00 0.00 O ATOM 0 H ASP A 96 -7.626 8.041 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.483 5.803 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.312 7.306 -2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.453 8.378 -3.565 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.729 5.613 -6.052 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.985 4.997 -6.465 1.00 0.00 C ATOM 1545 C ASN A 97 -11.148 3.618 -5.834 1.00 0.00 C ATOM 1546 O ASN A 97 -10.273 3.149 -5.107 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.042 4.882 -7.990 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.368 6.205 -8.657 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.204 6.967 -8.174 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.706 6.482 -9.775 1.00 0.00 N ATOM 0 H ASN A 97 -9.072 5.784 -6.813 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.802 5.632 -6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.084 4.518 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.793 4.143 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.883 7.357 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.021 5.820 -10.139 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.275 2.972 -6.118 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.553 1.647 -5.578 1.00 0.00 C ATOM 1559 C ASN A 98 -11.838 0.569 -6.387 1.00 0.00 C ATOM 1560 O ASN A 98 -12.159 -0.615 -6.282 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.060 1.381 -5.573 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.732 1.839 -6.853 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.289 1.295 -7.980 1.00 0.00 O flip ATOM 1564 ND2 ASN A 98 -15.638 2.671 -6.828 1.00 0.00 N flip ATOM 0 H ASN A 98 -13.010 3.345 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.182 1.614 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.238 0.315 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.514 1.893 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.946 3.063 -5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.081 2.969 -7.697 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.867 0.987 -7.193 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.107 0.057 -8.019 1.00 0.00 C ATOM 1573 C GLN A 99 -9.461 -1.027 -7.164 1.00 0.00 C ATOM 1574 O GLN A 99 -8.583 -0.747 -6.347 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.034 0.806 -8.812 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.598 1.846 -9.767 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.587 2.295 -10.804 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -9.061 2.569 -12.013 1.00 0.00 O flip ATOM 1579 NE2 GLN A 99 -7.393 2.394 -10.520 1.00 0.00 N flip ATOM 0 H GLN A 99 -10.588 1.963 -7.291 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.797 -0.419 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.354 1.296 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.444 0.086 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.472 1.434 -10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.937 2.711 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.073 2.173 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.724 2.697 -11.228 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.899 -2.266 -7.358 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.363 -3.394 -6.604 1.00 0.00 C ATOM 1590 C LEU A 100 -7.884 -3.602 -6.913 1.00 0.00 C ATOM 1591 O LEU A 100 -7.448 -3.437 -8.053 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.147 -4.668 -6.928 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.558 -4.754 -6.345 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.326 -5.905 -6.975 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.501 -4.912 -4.833 1.00 0.00 C ATOM 0 H LEU A 100 -10.624 -2.515 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.466 -3.171 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.217 -4.762 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.575 -5.524 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.083 -3.826 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.328 -5.951 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.397 -5.749 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.804 -6.842 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.514 -4.972 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.959 -5.824 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.990 -4.054 -4.397 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.117 -3.966 -5.891 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.686 -4.198 -6.053 1.00 0.00 C ATOM 1609 C PHE A 101 -5.275 -5.524 -5.421 1.00 0.00 C ATOM 1610 O PHE A 101 -6.090 -6.208 -4.802 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.888 -3.052 -5.426 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.648 -1.905 -6.366 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.625 -1.960 -7.299 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.444 -0.773 -6.316 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.401 -0.906 -8.164 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.225 0.285 -7.179 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.203 0.218 -8.105 1.00 0.00 C ATOM 0 H PHE A 101 -7.462 -4.107 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.469 -4.242 -7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.421 -2.687 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.928 -3.435 -5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.996 -2.836 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.245 -0.716 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -2.600 -0.961 -8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.853 1.163 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.031 1.042 -8.782 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.005 -5.881 -5.583 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.485 -7.126 -5.030 1.00 0.00 C ATOM 1629 C ARG A 102 -1.959 -7.131 -5.043 1.00 0.00 C ATOM 1630 O ARG A 102 -1.330 -6.262 -5.646 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.017 -8.322 -5.822 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.684 -8.267 -7.304 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.489 -9.287 -8.094 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.835 -10.593 -8.128 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.041 -11.541 -7.221 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.879 -11.330 -6.215 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.409 -12.704 -7.319 1.00 0.00 N ATOM 0 H ARG A 102 -3.317 -5.326 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.822 -7.205 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.606 -9.239 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.099 -8.374 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.887 -7.267 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.619 -8.453 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.480 -9.389 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.631 -8.926 -9.113 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.185 -10.787 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.367 -10.438 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.035 -12.060 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.764 -12.871 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.568 -13.431 -6.622 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.370 -8.116 -4.373 1.00 0.00 N ATOM 1652 CA PHE A 103 0.081 -8.234 -4.306 1.00 0.00 C ATOM 1653 C PHE A 103 0.563 -9.466 -5.067 1.00 0.00 C ATOM 1654 O PHE A 103 -0.038 -10.539 -5.006 1.00 0.00 O ATOM 1655 CB PHE A 103 0.541 -8.309 -2.848 1.00 0.00 C ATOM 1656 CG PHE A 103 2.005 -8.027 -2.667 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.479 -6.725 -2.668 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.908 -9.064 -2.495 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.825 -6.461 -2.500 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.256 -8.806 -2.327 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.715 -7.504 -2.331 1.00 0.00 C ATOM 0 H PHE A 103 -1.876 -8.844 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 103 0.514 -7.349 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.034 -7.596 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.319 -9.301 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.788 -5.906 -2.802 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.555 -10.085 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.181 -5.441 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.950 -9.623 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.768 -7.301 -2.202 1.00 0.00 H new ATOM 1671 N PRO A 104 1.674 -9.310 -5.802 1.00 0.00 N ATOM 1672 CA PRO A 104 2.261 -10.398 -6.590 1.00 0.00 C ATOM 1673 C PRO A 104 2.877 -11.482 -5.712 1.00 0.00 C ATOM 1674 O PRO A 104 2.747 -11.451 -4.488 1.00 0.00 O ATOM 1675 CB PRO A 104 3.345 -9.695 -7.411 1.00 0.00 C ATOM 1676 CG PRO A 104 3.706 -8.491 -6.612 1.00 0.00 C ATOM 1677 CD PRO A 104 2.442 -8.059 -5.921 1.00 0.00 C ATOM 0 HA PRO A 104 1.515 -10.912 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.209 -10.343 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.976 -9.418 -8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.487 -8.723 -5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.091 -7.698 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.648 -7.619 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.903 -7.310 -6.501 1.00 0.00 H new ATOM 1685 N ALA A 105 3.547 -12.439 -6.344 1.00 0.00 N ATOM 1686 CA ALA A 105 4.185 -13.532 -5.620 1.00 0.00 C ATOM 1687 C ALA A 105 5.704 -13.407 -5.665 1.00 0.00 C ATOM 1688 O ALA A 105 6.268 -12.921 -6.646 1.00 0.00 O ATOM 1689 CB ALA A 105 3.746 -14.872 -6.192 1.00 0.00 C ATOM 0 H ALA A 105 3.662 -12.480 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 105 3.873 -13.475 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.230 -15.679 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.664 -14.969 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.029 -14.929 -7.243 1.00 0.00 H new TER 1695 ALA A 105