USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 12 ASN : amide:sc= 0.692 K(o=2.7,f=-3.8) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 172:sc= 1.12 (180deg=0) USER MOD Set 1.3: A 46 MET CE :methyl 154:sc= 0 (180deg=0) USER MOD Set 1.4: A 50 LYS NZ :NH3+ 172:sc= 0.935 (180deg=0.846) USER MOD Set 2.1: A 25 HIS : no HD1:sc=-0.00525 X(o=0.35,f=0.081) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.358 K(o=0.35,f=-0.19) USER MOD Set 3.1: A 7 GLN : amide:sc= 0.6 K(o=1.8,f=-2.3!) USER MOD Set 3.2: A 26 CYS SG : rot -149:sc= 1.24 USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0.00793 USER MOD Set 4.2: A 17 GLN : amide:sc= -0.247 X(o=-0.24,f=-0.19) USER MOD Set 5.1: A 6 LYS NZ :NH3+ 178:sc= 1.01 (180deg=0) USER MOD Set 5.2: A 10 GLN : amide:sc= 0.872 K(o=1.9,f=-3.8) USER MOD Single : A 3 GLN : amide:sc= -0.355 K(o=-0.35,f=0.87) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 2.37 (180deg=2.05) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= 0.371 X(o=0.37,f=0.007) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 76:sc= 1.2 USER MOD Single : A 43 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.29) USER MOD Single : A 60 MET CE :methyl -170:sc= 0 (180deg=-0.0757) USER MOD Single : A 61 CYS SG : rot 78:sc= 0.475 USER MOD Single : A 62 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.412 K(o=-0.41,f=0.11) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -79:sc= 1.29 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 73 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.013) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 82 TYR OH : rot 152:sc= 0.162 USER MOD Single : A 88 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 15.315 9.321 -11.537 1.00 0.00 N ATOM 31 CA GLN A 3 15.955 9.472 -10.228 1.00 0.00 C ATOM 32 C GLN A 3 14.948 9.579 -9.068 1.00 0.00 C ATOM 33 O GLN A 3 15.241 9.096 -7.970 1.00 0.00 O ATOM 34 CB GLN A 3 16.841 10.729 -10.256 1.00 0.00 C ATOM 35 CG GLN A 3 18.168 10.541 -11.012 1.00 0.00 C ATOM 36 CD GLN A 3 18.122 10.645 -12.535 1.00 0.00 C ATOM 37 OE1 GLN A 3 17.093 10.637 -13.197 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.271 10.716 -13.157 1.00 0.00 N ATOM 0 HA GLN A 3 16.545 8.574 -10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.284 11.544 -10.718 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.058 11.031 -9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 3 18.875 11.284 -10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.570 9.562 -10.752 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.140 10.724 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.297 10.763 -14.176 1.00 0.00 H new ATOM 47 N PHE A 4 13.752 10.140 -9.303 1.00 0.00 N ATOM 48 CA PHE A 4 12.686 10.207 -8.285 1.00 0.00 C ATOM 49 C PHE A 4 11.692 9.023 -8.329 1.00 0.00 C ATOM 50 O PHE A 4 10.784 8.920 -7.501 1.00 0.00 O ATOM 51 CB PHE A 4 12.072 11.622 -8.226 1.00 0.00 C ATOM 52 CG PHE A 4 10.636 11.797 -8.687 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.221 11.341 -9.951 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.718 12.471 -7.857 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.887 11.521 -10.361 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.389 12.662 -8.266 1.00 0.00 C ATOM 57 CZ PHE A 4 7.972 12.181 -9.521 1.00 0.00 C ATOM 0 H PHE A 4 13.495 10.558 -10.197 1.00 0.00 H new ATOM 0 HA PHE A 4 13.143 10.055 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.136 11.971 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.698 12.283 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.926 10.853 -10.607 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.040 12.844 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.565 11.151 -11.323 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.691 13.175 -7.621 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.949 12.319 -9.839 1.00 0.00 H new ATOM 67 N GLU A 5 11.885 8.081 -9.258 1.00 0.00 N ATOM 68 CA GLU A 5 11.152 6.814 -9.374 1.00 0.00 C ATOM 69 C GLU A 5 11.922 5.654 -8.724 1.00 0.00 C ATOM 70 O GLU A 5 11.313 4.834 -8.033 1.00 0.00 O ATOM 71 CB GLU A 5 10.872 6.515 -10.854 1.00 0.00 C ATOM 72 CG GLU A 5 9.943 7.532 -11.529 1.00 0.00 C ATOM 73 CD GLU A 5 8.461 7.236 -11.272 1.00 0.00 C ATOM 74 OE1 GLU A 5 7.708 7.081 -12.263 1.00 0.00 O ATOM 75 OE2 GLU A 5 8.020 7.194 -10.103 1.00 0.00 O ATOM 0 H GLU A 5 12.592 8.186 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 5 10.207 6.914 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.818 6.488 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.429 5.522 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.179 8.532 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.129 7.532 -12.603 1.00 0.00 H new ATOM 83 N LYS A 6 13.260 5.614 -8.845 1.00 0.00 N ATOM 84 CA LYS A 6 14.081 4.634 -8.105 1.00 0.00 C ATOM 85 C LYS A 6 14.002 4.863 -6.596 1.00 0.00 C ATOM 86 O LYS A 6 13.889 3.913 -5.830 1.00 0.00 O ATOM 87 CB LYS A 6 15.530 4.588 -8.641 1.00 0.00 C ATOM 88 CG LYS A 6 16.487 5.688 -8.137 1.00 0.00 C ATOM 89 CD LYS A 6 17.289 5.297 -6.881 1.00 0.00 C ATOM 90 CE LYS A 6 18.066 6.510 -6.351 1.00 0.00 C ATOM 91 NZ LYS A 6 18.995 6.141 -5.256 1.00 0.00 N ATOM 0 H LYS A 6 13.795 6.243 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 6 13.664 3.643 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.958 3.619 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.493 4.641 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.184 5.942 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.909 6.586 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.614 4.923 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.980 4.488 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.629 6.964 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.363 7.262 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.524 6.983 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.453 5.763 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.661 5.418 -5.595 1.00 0.00 H new ATOM 105 N GLN A 7 13.996 6.123 -6.149 1.00 0.00 N ATOM 106 CA GLN A 7 14.077 6.439 -4.724 1.00 0.00 C ATOM 107 C GLN A 7 12.795 6.082 -3.943 1.00 0.00 C ATOM 108 O GLN A 7 12.870 5.791 -2.750 1.00 0.00 O ATOM 109 CB GLN A 7 14.564 7.886 -4.555 1.00 0.00 C ATOM 110 CG GLN A 7 13.479 8.969 -4.584 1.00 0.00 C ATOM 111 CD GLN A 7 14.100 10.355 -4.437 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.337 11.056 -5.407 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.400 10.804 -3.238 1.00 0.00 N ATOM 0 H GLN A 7 13.936 6.940 -6.757 1.00 0.00 H new ATOM 0 HA GLN A 7 14.820 5.793 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.098 7.960 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.284 8.100 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.924 8.911 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.765 8.797 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.209 10.231 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.824 11.725 -3.130 1.00 0.00 H new ATOM 122 N LYS A 8 11.626 6.009 -4.606 1.00 0.00 N ATOM 123 CA LYS A 8 10.391 5.493 -3.982 1.00 0.00 C ATOM 124 C LYS A 8 10.373 3.960 -3.867 1.00 0.00 C ATOM 125 O LYS A 8 9.963 3.443 -2.833 1.00 0.00 O ATOM 126 CB LYS A 8 9.122 6.085 -4.628 1.00 0.00 C ATOM 127 CG LYS A 8 9.000 5.942 -6.154 1.00 0.00 C ATOM 128 CD LYS A 8 7.628 6.401 -6.677 1.00 0.00 C ATOM 129 CE LYS A 8 7.341 7.911 -6.641 1.00 0.00 C ATOM 130 NZ LYS A 8 7.971 8.633 -7.774 1.00 0.00 N ATOM 0 H LYS A 8 11.510 6.301 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 8 10.389 5.848 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.253 5.612 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.075 7.145 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.784 6.527 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.163 4.901 -6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.526 6.061 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.857 5.895 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.264 8.074 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.706 8.325 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.484 9.540 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.973 8.809 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.897 8.057 -8.637 1.00 0.00 H new ATOM 144 N GLU A 9 10.915 3.242 -4.851 1.00 0.00 N ATOM 145 CA GLU A 9 11.149 1.785 -4.766 1.00 0.00 C ATOM 146 C GLU A 9 12.209 1.425 -3.708 1.00 0.00 C ATOM 147 O GLU A 9 12.067 0.428 -2.994 1.00 0.00 O ATOM 148 CB GLU A 9 11.597 1.273 -6.143 1.00 0.00 C ATOM 149 CG GLU A 9 10.456 1.233 -7.168 1.00 0.00 C ATOM 150 CD GLU A 9 9.952 -0.202 -7.361 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.217 -0.796 -8.436 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.336 -0.754 -6.423 1.00 0.00 O ATOM 0 H GLU A 9 11.209 3.650 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 9 10.216 1.310 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.395 1.913 -6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.015 0.272 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.637 1.870 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.802 1.634 -8.121 1.00 0.00 H new ATOM 160 N GLN A 10 13.236 2.267 -3.565 1.00 0.00 N ATOM 161 CA GLN A 10 14.241 2.199 -2.506 1.00 0.00 C ATOM 162 C GLN A 10 13.604 2.422 -1.123 1.00 0.00 C ATOM 163 O GLN A 10 13.766 1.585 -0.238 1.00 0.00 O ATOM 164 CB GLN A 10 15.334 3.234 -2.818 1.00 0.00 C ATOM 165 CG GLN A 10 16.508 3.205 -1.835 1.00 0.00 C ATOM 166 CD GLN A 10 17.558 4.274 -2.128 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.475 5.096 -3.040 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.595 4.328 -1.333 1.00 0.00 N ATOM 0 H GLN A 10 13.394 3.043 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 10 14.689 1.206 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.711 3.059 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.891 4.230 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.130 3.343 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.979 2.222 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.688 3.658 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.311 5.040 -1.477 1.00 0.00 H new ATOM 177 N GLY A 11 12.810 3.486 -0.946 1.00 0.00 N ATOM 178 CA GLY A 11 12.036 3.727 0.278 1.00 0.00 C ATOM 179 C GLY A 11 11.101 2.569 0.656 1.00 0.00 C ATOM 180 O GLY A 11 11.036 2.194 1.827 1.00 0.00 O ATOM 0 H GLY A 11 12.686 4.209 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.725 3.910 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.444 4.633 0.150 1.00 0.00 H new ATOM 184 N ASN A 12 10.432 1.938 -0.316 1.00 0.00 N ATOM 185 CA ASN A 12 9.567 0.785 -0.047 1.00 0.00 C ATOM 186 C ASN A 12 10.374 -0.448 0.413 1.00 0.00 C ATOM 187 O ASN A 12 9.965 -1.134 1.353 1.00 0.00 O ATOM 188 CB ASN A 12 8.681 0.513 -1.281 1.00 0.00 C ATOM 189 CG ASN A 12 7.386 -0.219 -0.951 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.011 -0.418 0.197 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.631 -0.603 -1.950 1.00 0.00 N ATOM 0 H ASN A 12 10.474 2.208 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 12 8.909 1.016 0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.441 1.461 -1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.248 -0.075 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.739 -1.063 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.935 -0.442 -2.910 1.00 0.00 H new ATOM 198 N SER A 13 11.566 -0.673 -0.160 1.00 0.00 N ATOM 199 CA SER A 13 12.507 -1.701 0.313 1.00 0.00 C ATOM 200 C SER A 13 13.033 -1.398 1.721 1.00 0.00 C ATOM 201 O SER A 13 12.999 -2.280 2.575 1.00 0.00 O ATOM 202 CB SER A 13 13.679 -1.849 -0.664 1.00 0.00 C ATOM 203 OG SER A 13 14.591 -2.829 -0.198 1.00 0.00 O ATOM 0 H SER A 13 11.905 -0.147 -0.965 1.00 0.00 H new ATOM 0 HA SER A 13 11.957 -2.641 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.306 -2.129 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.190 -0.893 -0.777 1.00 0.00 H new ATOM 0 HG SER A 13 15.333 -2.913 -0.833 1.00 0.00 H new ATOM 209 N LEU A 14 13.451 -0.159 2.012 1.00 0.00 N ATOM 210 CA LEU A 14 13.913 0.269 3.344 1.00 0.00 C ATOM 211 C LEU A 14 12.842 0.046 4.424 1.00 0.00 C ATOM 212 O LEU A 14 13.155 -0.440 5.515 1.00 0.00 O ATOM 213 CB LEU A 14 14.319 1.756 3.280 1.00 0.00 C ATOM 214 CG LEU A 14 15.658 2.044 2.580 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.795 3.545 2.330 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.845 1.608 3.436 1.00 0.00 C ATOM 0 H LEU A 14 13.479 0.588 1.318 1.00 0.00 H new ATOM 0 HA LEU A 14 14.773 -0.339 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.533 2.308 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.369 2.146 4.297 1.00 0.00 H new ATOM 0 HG LEU A 14 15.662 1.484 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.745 3.746 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.976 3.885 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.763 4.077 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.774 1.827 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.829 2.148 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.781 0.537 3.628 1.00 0.00 H new ATOM 228 N PHE A 15 11.566 0.294 4.102 1.00 0.00 N ATOM 229 CA PHE A 15 10.447 -0.080 4.971 1.00 0.00 C ATOM 230 C PHE A 15 10.435 -1.581 5.296 1.00 0.00 C ATOM 231 O PHE A 15 10.253 -1.955 6.449 1.00 0.00 O ATOM 232 CB PHE A 15 9.109 0.367 4.354 1.00 0.00 C ATOM 233 CG PHE A 15 8.583 1.640 4.983 1.00 0.00 C ATOM 234 CD1 PHE A 15 7.986 1.573 6.253 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.720 2.885 4.344 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.574 2.745 6.904 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.316 4.062 5.002 1.00 0.00 C ATOM 238 CZ PHE A 15 7.752 3.990 6.286 1.00 0.00 C ATOM 0 H PHE A 15 11.283 0.756 3.238 1.00 0.00 H new ATOM 0 HA PHE A 15 10.584 0.443 5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.239 0.520 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.372 -0.427 4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.844 0.615 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.135 2.938 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.119 2.688 7.882 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.440 5.020 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.455 4.894 6.797 1.00 0.00 H new ATOM 248 N LYS A 16 10.714 -2.444 4.317 1.00 0.00 N ATOM 249 CA LYS A 16 10.736 -3.911 4.476 1.00 0.00 C ATOM 250 C LYS A 16 11.882 -4.425 5.368 1.00 0.00 C ATOM 251 O LYS A 16 11.747 -5.510 5.933 1.00 0.00 O ATOM 252 CB LYS A 16 10.708 -4.560 3.071 1.00 0.00 C ATOM 253 CG LYS A 16 9.424 -5.331 2.716 1.00 0.00 C ATOM 254 CD LYS A 16 8.079 -4.641 3.018 1.00 0.00 C ATOM 255 CE LYS A 16 7.938 -3.176 2.585 1.00 0.00 C ATOM 256 NZ LYS A 16 7.669 -3.012 1.139 1.00 0.00 N ATOM 0 H LYS A 16 10.937 -2.142 3.368 1.00 0.00 H new ATOM 0 HA LYS A 16 9.844 -4.214 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.857 -3.778 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.554 -5.243 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.453 -5.562 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.443 -6.281 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.288 -5.215 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.903 -4.696 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.130 -2.714 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.853 -2.640 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.451 -2.015 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.507 -3.300 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.859 -3.605 0.867 1.00 0.00 H new ATOM 270 N GLN A 17 12.947 -3.644 5.592 1.00 0.00 N ATOM 271 CA GLN A 17 13.989 -3.923 6.608 1.00 0.00 C ATOM 272 C GLN A 17 13.709 -3.270 7.980 1.00 0.00 C ATOM 273 O GLN A 17 14.456 -3.494 8.936 1.00 0.00 O ATOM 274 CB GLN A 17 15.383 -3.508 6.095 1.00 0.00 C ATOM 275 CG GLN A 17 15.985 -4.479 5.063 1.00 0.00 C ATOM 276 CD GLN A 17 15.314 -4.365 3.706 1.00 0.00 C ATOM 277 OE1 GLN A 17 14.467 -5.167 3.324 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.635 -3.347 2.945 1.00 0.00 N ATOM 0 H GLN A 17 13.118 -2.786 5.068 1.00 0.00 H new ATOM 0 HA GLN A 17 13.965 -5.001 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.314 -2.516 5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.062 -3.429 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.051 -4.278 4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.888 -5.501 5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.338 -2.678 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.181 -3.224 2.040 1.00 0.00 H new ATOM 287 N GLY A 18 12.661 -2.449 8.099 1.00 0.00 N ATOM 288 CA GLY A 18 12.343 -1.705 9.324 1.00 0.00 C ATOM 289 C GLY A 18 13.058 -0.353 9.452 1.00 0.00 C ATOM 290 O GLY A 18 13.016 0.273 10.518 1.00 0.00 O ATOM 0 H GLY A 18 12.002 -2.280 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.267 -1.537 9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.601 -2.321 10.185 1.00 0.00 H new ATOM 294 N LEU A 19 13.697 0.127 8.377 1.00 0.00 N ATOM 295 CA LEU A 19 14.357 1.439 8.283 1.00 0.00 C ATOM 296 C LEU A 19 13.338 2.533 7.932 1.00 0.00 C ATOM 297 O LEU A 19 13.494 3.313 6.990 1.00 0.00 O ATOM 298 CB LEU A 19 15.576 1.339 7.340 1.00 0.00 C ATOM 299 CG LEU A 19 16.634 0.302 7.777 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.765 0.240 6.755 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.247 0.627 9.143 1.00 0.00 C ATOM 0 H LEU A 19 13.772 -0.409 7.513 1.00 0.00 H new ATOM 0 HA LEU A 19 14.759 1.743 9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.227 1.085 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.050 2.318 7.273 1.00 0.00 H new ATOM 0 HG LEU A 19 16.116 -0.655 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.504 -0.495 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.363 -0.049 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.237 1.219 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.984 -0.134 9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.732 1.602 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.462 0.644 9.899 1.00 0.00 H new ATOM 313 N TYR A 20 12.254 2.552 8.713 1.00 0.00 N ATOM 314 CA TYR A 20 11.070 3.386 8.517 1.00 0.00 C ATOM 315 C TYR A 20 11.402 4.884 8.437 1.00 0.00 C ATOM 316 O TYR A 20 10.786 5.601 7.651 1.00 0.00 O ATOM 317 CB TYR A 20 10.082 3.126 9.678 1.00 0.00 C ATOM 318 CG TYR A 20 9.584 1.702 9.919 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.535 0.753 8.880 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.100 1.340 11.193 1.00 0.00 C ATOM 321 CE1 TYR A 20 8.953 -0.513 9.090 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.561 0.056 11.421 1.00 0.00 C ATOM 323 CZ TYR A 20 8.473 -0.873 10.362 1.00 0.00 C ATOM 324 OH TYR A 20 7.945 -2.112 10.561 1.00 0.00 O ATOM 0 H TYR A 20 12.177 1.957 9.538 1.00 0.00 H new ATOM 0 HA TYR A 20 10.625 3.115 7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.556 3.469 10.597 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.209 3.757 9.515 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.948 0.998 7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.142 2.053 12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.875 -1.211 8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.215 -0.216 12.407 1.00 0.00 H new ATOM 0 HH TYR A 20 7.661 -2.201 11.495 1.00 0.00 H new ATOM 334 N ARG A 21 12.388 5.374 9.204 1.00 0.00 N ATOM 335 CA ARG A 21 12.689 6.811 9.312 1.00 0.00 C ATOM 336 C ARG A 21 13.647 7.283 8.222 1.00 0.00 C ATOM 337 O ARG A 21 13.447 8.379 7.698 1.00 0.00 O ATOM 338 CB ARG A 21 13.154 7.176 10.736 1.00 0.00 C ATOM 339 CG ARG A 21 12.001 7.173 11.762 1.00 0.00 C ATOM 340 CD ARG A 21 11.622 5.788 12.311 1.00 0.00 C ATOM 341 NE ARG A 21 10.240 5.782 12.820 1.00 0.00 N ATOM 342 CZ ARG A 21 9.685 4.895 13.624 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.261 3.789 13.989 1.00 0.00 N ATOM 344 NH2 ARG A 21 8.485 5.070 14.084 1.00 0.00 N ATOM 0 H ARG A 21 13.000 4.785 9.768 1.00 0.00 H new ATOM 0 HA ARG A 21 11.764 7.360 9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.920 6.469 11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.617 8.163 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.277 7.815 12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.120 7.616 11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.727 5.040 11.525 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.309 5.509 13.110 1.00 0.00 H new ATOM 0 HE ARG A 21 9.644 6.552 12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.197 3.566 13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.777 3.144 14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.956 5.903 13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.070 4.375 14.705 1.00 0.00 H new ATOM 358 N GLU A 22 14.590 6.437 7.790 1.00 0.00 N ATOM 359 CA GLU A 22 15.348 6.652 6.542 1.00 0.00 C ATOM 360 C GLU A 22 14.424 6.640 5.315 1.00 0.00 C ATOM 361 O GLU A 22 14.572 7.481 4.422 1.00 0.00 O ATOM 362 CB GLU A 22 16.405 5.546 6.354 1.00 0.00 C ATOM 363 CG GLU A 22 17.703 5.767 7.137 1.00 0.00 C ATOM 364 CD GLU A 22 18.511 6.945 6.581 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.040 6.849 5.442 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.629 7.972 7.296 1.00 0.00 O ATOM 0 H GLU A 22 14.851 5.587 8.290 1.00 0.00 H new ATOM 0 HA GLU A 22 15.829 7.627 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.972 4.592 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.644 5.466 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.468 5.950 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.308 4.861 7.100 1.00 0.00 H new ATOM 374 N ALA A 23 13.448 5.726 5.278 1.00 0.00 N ATOM 375 CA ALA A 23 12.481 5.652 4.186 1.00 0.00 C ATOM 376 C ALA A 23 11.553 6.882 4.128 1.00 0.00 C ATOM 377 O ALA A 23 11.385 7.477 3.061 1.00 0.00 O ATOM 378 CB ALA A 23 11.686 4.356 4.337 1.00 0.00 C ATOM 0 H ALA A 23 13.310 5.021 6.002 1.00 0.00 H new ATOM 0 HA ALA A 23 13.020 5.652 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.957 4.280 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.366 3.505 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.168 4.357 5.296 1.00 0.00 H new ATOM 384 N VAL A 24 11.013 7.322 5.273 1.00 0.00 N ATOM 385 CA VAL A 24 10.252 8.582 5.372 1.00 0.00 C ATOM 386 C VAL A 24 11.118 9.785 4.981 1.00 0.00 C ATOM 387 O VAL A 24 10.618 10.680 4.306 1.00 0.00 O ATOM 388 CB VAL A 24 9.624 8.751 6.774 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.024 10.145 7.011 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.464 7.764 6.945 1.00 0.00 C ATOM 0 H VAL A 24 11.089 6.818 6.157 1.00 0.00 H new ATOM 0 HA VAL A 24 9.429 8.533 4.658 1.00 0.00 H new ATOM 0 HB VAL A 24 10.438 8.582 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.601 10.193 8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.805 10.899 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.240 10.333 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.025 7.887 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.707 7.957 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.835 6.745 6.837 1.00 0.00 H new ATOM 400 N HIS A 25 12.423 9.785 5.290 1.00 0.00 N ATOM 401 CA HIS A 25 13.328 10.869 4.888 1.00 0.00 C ATOM 402 C HIS A 25 13.440 10.990 3.357 1.00 0.00 C ATOM 403 O HIS A 25 13.435 12.105 2.831 1.00 0.00 O ATOM 404 CB HIS A 25 14.708 10.670 5.534 1.00 0.00 C ATOM 405 CG HIS A 25 15.545 11.920 5.503 1.00 0.00 C ATOM 406 ND1 HIS A 25 16.110 12.509 4.395 1.00 0.00 N ATOM 407 CD2 HIS A 25 15.823 12.725 6.572 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.689 13.658 4.779 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.525 13.842 6.102 1.00 0.00 N ATOM 0 H HIS A 25 12.876 9.041 5.820 1.00 0.00 H new ATOM 0 HA HIS A 25 12.906 11.808 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.579 10.349 6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.236 9.870 5.015 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.549 12.533 7.599 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.211 14.337 4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.848 14.637 6.653 1.00 0.00 H new ATOM 418 N CYS A 26 13.474 9.860 2.638 1.00 0.00 N ATOM 419 CA CYS A 26 13.455 9.823 1.173 1.00 0.00 C ATOM 420 C CYS A 26 12.134 10.366 0.606 1.00 0.00 C ATOM 421 O CYS A 26 12.140 11.197 -0.304 1.00 0.00 O ATOM 422 CB CYS A 26 13.706 8.375 0.718 1.00 0.00 C ATOM 423 SG CYS A 26 13.782 8.329 -1.086 1.00 0.00 S ATOM 0 H CYS A 26 13.516 8.935 3.065 1.00 0.00 H new ATOM 0 HA CYS A 26 14.242 10.471 0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.638 8.003 1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.909 7.724 1.078 1.00 0.00 H new ATOM 0 HG CYS A 26 13.353 7.177 -1.509 1.00 0.00 H new ATOM 429 N TYR A 27 10.998 9.961 1.177 1.00 0.00 N ATOM 430 CA TYR A 27 9.688 10.489 0.781 1.00 0.00 C ATOM 431 C TYR A 27 9.565 12.003 1.057 1.00 0.00 C ATOM 432 O TYR A 27 9.060 12.745 0.214 1.00 0.00 O ATOM 433 CB TYR A 27 8.577 9.690 1.473 1.00 0.00 C ATOM 434 CG TYR A 27 8.522 8.186 1.220 1.00 0.00 C ATOM 435 CD1 TYR A 27 9.127 7.571 0.097 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.782 7.396 2.117 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.985 6.183 -0.111 1.00 0.00 C ATOM 438 CE2 TYR A 27 7.640 6.009 1.914 1.00 0.00 C ATOM 439 CZ TYR A 27 8.247 5.400 0.799 1.00 0.00 C ATOM 440 OH TYR A 27 8.103 4.066 0.593 1.00 0.00 O ATOM 0 H TYR A 27 10.958 9.264 1.921 1.00 0.00 H new ATOM 0 HA TYR A 27 9.582 10.370 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.671 9.846 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.620 10.116 1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.698 8.165 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.316 7.859 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.444 5.718 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.068 5.415 2.611 1.00 0.00 H new ATOM 0 HH TYR A 27 7.566 3.679 1.316 1.00 0.00 H new ATOM 450 N ASP A 28 10.116 12.485 2.176 1.00 0.00 N ATOM 451 CA ASP A 28 10.235 13.912 2.500 1.00 0.00 C ATOM 452 C ASP A 28 11.128 14.667 1.500 1.00 0.00 C ATOM 453 O ASP A 28 10.895 15.852 1.269 1.00 0.00 O ATOM 454 CB ASP A 28 10.742 14.060 3.947 1.00 0.00 C ATOM 455 CG ASP A 28 10.827 15.513 4.433 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.790 16.216 4.479 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.935 15.971 4.809 1.00 0.00 O ATOM 0 H ASP A 28 10.501 11.879 2.900 1.00 0.00 H new ATOM 0 HA ASP A 28 9.249 14.370 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.081 13.504 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.729 13.604 4.024 1.00 0.00 H new ATOM 463 N GLN A 29 12.090 14.018 0.828 1.00 0.00 N ATOM 464 CA GLN A 29 12.862 14.664 -0.247 1.00 0.00 C ATOM 465 C GLN A 29 12.045 14.872 -1.529 1.00 0.00 C ATOM 466 O GLN A 29 12.299 15.847 -2.243 1.00 0.00 O ATOM 467 CB GLN A 29 14.186 13.938 -0.555 1.00 0.00 C ATOM 468 CG GLN A 29 15.194 13.850 0.605 1.00 0.00 C ATOM 469 CD GLN A 29 15.142 15.029 1.567 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.603 16.127 1.279 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.525 14.874 2.715 1.00 0.00 N ATOM 0 H GLN A 29 12.353 13.049 1.008 1.00 0.00 H new ATOM 0 HA GLN A 29 13.114 15.651 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.954 12.926 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.668 14.444 -1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.010 12.932 1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.200 13.776 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.137 13.965 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.434 15.663 3.355 1.00 0.00 H new ATOM 480 N LEU A 30 11.029 14.045 -1.811 1.00 0.00 N ATOM 481 CA LEU A 30 10.096 14.332 -2.920 1.00 0.00 C ATOM 482 C LEU A 30 9.306 15.618 -2.638 1.00 0.00 C ATOM 483 O LEU A 30 9.187 16.478 -3.511 1.00 0.00 O ATOM 484 CB LEU A 30 9.107 13.179 -3.197 1.00 0.00 C ATOM 485 CG LEU A 30 9.661 11.749 -3.143 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.562 10.755 -3.523 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.848 11.512 -4.071 1.00 0.00 C ATOM 0 H LEU A 30 10.830 13.185 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 30 10.713 14.454 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.292 13.253 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.674 13.336 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 30 10.007 11.604 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.959 9.741 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.731 10.847 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.212 10.968 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.183 10.479 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.548 11.703 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.662 12.184 -3.799 1.00 0.00 H new ATOM 499 N ILE A 31 8.824 15.761 -1.395 1.00 0.00 N ATOM 500 CA ILE A 31 8.075 16.933 -0.911 1.00 0.00 C ATOM 501 C ILE A 31 8.987 18.169 -0.886 1.00 0.00 C ATOM 502 O ILE A 31 8.607 19.221 -1.383 1.00 0.00 O ATOM 503 CB ILE A 31 7.442 16.662 0.482 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.585 15.368 0.497 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.581 17.866 0.910 1.00 0.00 C ATOM 506 CD1 ILE A 31 6.103 14.919 1.883 1.00 0.00 C ATOM 0 H ILE A 31 8.947 15.046 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 31 7.254 17.129 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 31 8.259 16.520 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.714 15.521 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.167 14.560 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.140 17.669 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.205 18.758 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.788 18.024 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.514 14.007 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.964 14.728 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.488 15.703 2.326 1.00 0.00 H new ATOM 518 N THR A 32 10.224 18.036 -0.394 1.00 0.00 N ATOM 519 CA THR A 32 11.207 19.138 -0.304 1.00 0.00 C ATOM 520 C THR A 32 11.558 19.723 -1.681 1.00 0.00 C ATOM 521 O THR A 32 11.833 20.921 -1.788 1.00 0.00 O ATOM 522 CB THR A 32 12.494 18.677 0.411 1.00 0.00 C ATOM 523 OG1 THR A 32 12.183 18.084 1.656 1.00 0.00 O ATOM 524 CG2 THR A 32 13.447 19.827 0.730 1.00 0.00 C ATOM 0 H THR A 32 10.582 17.149 -0.040 1.00 0.00 H new ATOM 0 HA THR A 32 10.734 19.926 0.282 1.00 0.00 H new ATOM 0 HB THR A 32 12.968 17.980 -0.279 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.843 17.177 1.510 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.332 19.437 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.743 20.322 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.947 20.544 1.381 1.00 0.00 H new ATOM 532 N ALA A 33 11.506 18.907 -2.740 1.00 0.00 N ATOM 533 CA ALA A 33 11.676 19.343 -4.126 1.00 0.00 C ATOM 534 C ALA A 33 10.390 19.916 -4.765 1.00 0.00 C ATOM 535 O ALA A 33 10.485 20.741 -5.680 1.00 0.00 O ATOM 536 CB ALA A 33 12.207 18.146 -4.925 1.00 0.00 C ATOM 0 H ALA A 33 11.341 17.904 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 33 12.382 20.173 -4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.346 18.436 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.161 17.824 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.492 17.325 -4.869 1.00 0.00 H new ATOM 542 N GLN A 34 9.205 19.472 -4.319 1.00 0.00 N ATOM 543 CA GLN A 34 7.891 19.699 -4.951 1.00 0.00 C ATOM 544 C GLN A 34 6.781 19.968 -3.886 1.00 0.00 C ATOM 545 O GLN A 34 5.877 19.138 -3.737 1.00 0.00 O ATOM 546 CB GLN A 34 7.560 18.466 -5.831 1.00 0.00 C ATOM 547 CG GLN A 34 8.569 18.126 -6.946 1.00 0.00 C ATOM 548 CD GLN A 34 8.504 16.661 -7.365 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.148 16.309 -8.486 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.874 15.760 -6.482 1.00 0.00 N ATOM 0 H GLN A 34 9.131 18.917 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 34 7.930 20.592 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.466 17.597 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.585 18.627 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.374 18.758 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.577 18.358 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.170 16.051 -5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.865 14.770 -6.729 1.00 0.00 H new ATOM 559 N PRO A 35 6.815 21.079 -3.114 1.00 0.00 N ATOM 560 CA PRO A 35 6.060 21.197 -1.852 1.00 0.00 C ATOM 561 C PRO A 35 4.530 21.262 -1.927 1.00 0.00 C ATOM 562 O PRO A 35 3.862 21.044 -0.917 1.00 0.00 O ATOM 563 CB PRO A 35 6.562 22.480 -1.190 1.00 0.00 C ATOM 564 CG PRO A 35 7.982 22.616 -1.726 1.00 0.00 C ATOM 565 CD PRO A 35 7.803 22.154 -3.169 1.00 0.00 C ATOM 0 HA PRO A 35 6.242 20.271 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.947 23.339 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.548 22.404 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.348 23.641 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.689 21.992 -1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.459 22.971 -3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.745 21.800 -3.588 1.00 0.00 H new ATOM 573 N GLN A 36 3.953 21.597 -3.083 1.00 0.00 N ATOM 574 CA GLN A 36 2.502 21.645 -3.284 1.00 0.00 C ATOM 575 C GLN A 36 1.967 20.423 -4.053 1.00 0.00 C ATOM 576 O GLN A 36 0.760 20.231 -4.174 1.00 0.00 O ATOM 577 CB GLN A 36 2.181 22.977 -3.972 1.00 0.00 C ATOM 578 CG GLN A 36 0.683 23.230 -4.158 1.00 0.00 C ATOM 579 CD GLN A 36 0.433 24.697 -4.456 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.804 25.227 -5.501 1.00 0.00 O ATOM 581 NE2 GLN A 36 -0.153 25.405 -3.528 1.00 0.00 N ATOM 0 H GLN A 36 4.486 21.846 -3.916 1.00 0.00 H new ATOM 0 HA GLN A 36 1.989 21.595 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.607 23.791 -3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.668 22.998 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.301 22.615 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.143 22.937 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.459 24.959 -2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.305 26.404 -3.668 1.00 0.00 H new ATOM 590 N ASN A 37 2.857 19.586 -4.588 1.00 0.00 N ATOM 591 CA ASN A 37 2.469 18.464 -5.432 1.00 0.00 C ATOM 592 C ASN A 37 1.923 17.281 -4.617 1.00 0.00 C ATOM 593 O ASN A 37 2.525 16.903 -3.608 1.00 0.00 O ATOM 594 CB ASN A 37 3.666 18.045 -6.288 1.00 0.00 C ATOM 595 CG ASN A 37 3.747 18.874 -7.547 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.215 20.009 -7.553 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.244 18.323 -8.624 1.00 0.00 N ATOM 0 H ASN A 37 3.864 19.670 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 37 1.653 18.786 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.586 18.158 -5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.580 16.990 -6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.233 18.839 -9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.863 17.378 -8.583 1.00 0.00 H new ATOM 604 N PRO A 38 0.874 16.589 -5.098 1.00 0.00 N ATOM 605 CA PRO A 38 0.352 15.394 -4.439 1.00 0.00 C ATOM 606 C PRO A 38 1.261 14.160 -4.576 1.00 0.00 C ATOM 607 O PRO A 38 1.019 13.144 -3.919 1.00 0.00 O ATOM 608 CB PRO A 38 -1.004 15.157 -5.095 1.00 0.00 C ATOM 609 CG PRO A 38 -0.792 15.678 -6.516 1.00 0.00 C ATOM 610 CD PRO A 38 0.078 16.906 -6.277 1.00 0.00 C ATOM 0 HA PRO A 38 0.287 15.549 -3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.277 14.102 -5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.801 15.696 -4.582 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.295 14.943 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.734 15.934 -7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.714 17.111 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.532 17.794 -6.113 1.00 0.00 H new ATOM 618 N VAL A 39 2.312 14.211 -5.402 1.00 0.00 N ATOM 619 CA VAL A 39 3.242 13.091 -5.611 1.00 0.00 C ATOM 620 C VAL A 39 3.976 12.694 -4.317 1.00 0.00 C ATOM 621 O VAL A 39 3.971 11.524 -3.944 1.00 0.00 O ATOM 622 CB VAL A 39 4.189 13.409 -6.790 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.348 14.358 -6.457 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.753 12.110 -7.367 1.00 0.00 C ATOM 0 H VAL A 39 2.545 15.039 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 39 2.671 12.204 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 39 3.572 13.936 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.954 14.519 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.949 15.312 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.965 13.918 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.420 12.340 -8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.307 11.579 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.934 11.484 -7.722 1.00 0.00 H new ATOM 634 N GLY A 40 4.505 13.656 -3.554 1.00 0.00 N ATOM 635 CA GLY A 40 5.137 13.397 -2.260 1.00 0.00 C ATOM 636 C GLY A 40 4.135 13.010 -1.166 1.00 0.00 C ATOM 637 O GLY A 40 4.408 12.091 -0.394 1.00 0.00 O ATOM 0 H GLY A 40 4.506 14.641 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.868 12.597 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.684 14.286 -1.945 1.00 0.00 H new ATOM 641 N TYR A 41 2.928 13.596 -1.161 1.00 0.00 N ATOM 642 CA TYR A 41 1.817 13.143 -0.304 1.00 0.00 C ATOM 643 C TYR A 41 1.460 11.671 -0.575 1.00 0.00 C ATOM 644 O TYR A 41 1.248 10.904 0.363 1.00 0.00 O ATOM 645 CB TYR A 41 0.564 14.009 -0.517 1.00 0.00 C ATOM 646 CG TYR A 41 0.552 15.355 0.184 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.264 16.448 -0.350 1.00 0.00 C ATOM 648 CD2 TYR A 41 -0.229 15.531 1.346 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.189 17.712 0.266 1.00 0.00 C ATOM 650 CE2 TYR A 41 -0.322 16.800 1.953 1.00 0.00 C ATOM 651 CZ TYR A 41 0.382 17.895 1.409 1.00 0.00 C ATOM 652 OH TYR A 41 0.298 19.125 1.977 1.00 0.00 O ATOM 0 H TYR A 41 2.693 14.396 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 41 2.155 13.242 0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.443 14.179 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.305 13.442 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.869 16.316 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.757 14.691 1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.750 18.542 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.932 16.934 2.834 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.298 19.086 2.754 1.00 0.00 H new ATOM 662 N SER A 42 1.472 11.242 -1.841 1.00 0.00 N ATOM 663 CA SER A 42 1.227 9.846 -2.232 1.00 0.00 C ATOM 664 C SER A 42 2.275 8.890 -1.653 1.00 0.00 C ATOM 665 O SER A 42 1.957 7.732 -1.365 1.00 0.00 O ATOM 666 CB SER A 42 1.190 9.695 -3.758 1.00 0.00 C ATOM 667 OG SER A 42 0.215 10.541 -4.334 1.00 0.00 O ATOM 0 H SER A 42 1.654 11.859 -2.633 1.00 0.00 H new ATOM 0 HA SER A 42 0.254 9.579 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.170 9.931 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.975 8.659 -4.018 1.00 0.00 H new ATOM 0 HG SER A 42 0.546 11.463 -4.343 1.00 0.00 H new ATOM 673 N ASN A 43 3.512 9.344 -1.438 1.00 0.00 N ATOM 674 CA ASN A 43 4.551 8.561 -0.766 1.00 0.00 C ATOM 675 C ASN A 43 4.555 8.709 0.768 1.00 0.00 C ATOM 676 O ASN A 43 4.806 7.712 1.443 1.00 0.00 O ATOM 677 CB ASN A 43 5.907 8.791 -1.454 1.00 0.00 C ATOM 678 CG ASN A 43 6.024 7.915 -2.691 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.876 8.356 -3.817 1.00 0.00 O ATOM 680 ND2 ASN A 43 6.214 6.628 -2.503 1.00 0.00 N ATOM 0 H ASN A 43 3.823 10.271 -1.727 1.00 0.00 H new ATOM 0 HA ASN A 43 4.314 7.504 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.009 9.840 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.717 8.565 -0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.238 5.994 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.337 6.263 -1.558 1.00 0.00 H new ATOM 687 N LYS A 44 4.138 9.838 1.357 1.00 0.00 N ATOM 688 CA LYS A 44 3.843 9.891 2.807 1.00 0.00 C ATOM 689 C LYS A 44 2.673 8.958 3.172 1.00 0.00 C ATOM 690 O LYS A 44 2.779 8.188 4.121 1.00 0.00 O ATOM 691 CB LYS A 44 3.653 11.343 3.282 1.00 0.00 C ATOM 692 CG LYS A 44 3.597 11.417 4.823 1.00 0.00 C ATOM 693 CD LYS A 44 3.449 12.860 5.333 1.00 0.00 C ATOM 694 CE LYS A 44 3.478 12.958 6.870 1.00 0.00 C ATOM 695 NZ LYS A 44 4.830 12.719 7.431 1.00 0.00 N ATOM 0 H LYS A 44 3.997 10.720 0.865 1.00 0.00 H new ATOM 0 HA LYS A 44 4.705 9.510 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.473 11.960 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.734 11.750 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.760 10.819 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.504 10.978 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.252 13.470 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.511 13.276 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.132 13.946 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.781 12.233 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.794 12.796 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.153 11.767 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.492 13.426 7.054 1.00 0.00 H new ATOM 709 N ALA A 45 1.631 8.884 2.343 1.00 0.00 N ATOM 710 CA ALA A 45 0.574 7.875 2.471 1.00 0.00 C ATOM 711 C ALA A 45 1.098 6.429 2.305 1.00 0.00 C ATOM 712 O ALA A 45 0.632 5.526 2.998 1.00 0.00 O ATOM 713 CB ALA A 45 -0.533 8.202 1.462 1.00 0.00 C ATOM 0 H ALA A 45 1.494 9.524 1.560 1.00 0.00 H new ATOM 0 HA ALA A 45 0.173 7.915 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.329 7.462 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.936 9.193 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.122 8.185 0.453 1.00 0.00 H new ATOM 719 N MET A 46 2.109 6.209 1.447 1.00 0.00 N ATOM 720 CA MET A 46 2.801 4.917 1.318 1.00 0.00 C ATOM 721 C MET A 46 3.534 4.534 2.610 1.00 0.00 C ATOM 722 O MET A 46 3.467 3.377 3.009 1.00 0.00 O ATOM 723 CB MET A 46 3.784 4.945 0.134 1.00 0.00 C ATOM 724 CG MET A 46 4.232 3.574 -0.376 1.00 0.00 C ATOM 725 SD MET A 46 2.901 2.550 -1.052 1.00 0.00 S ATOM 726 CE MET A 46 3.840 1.639 -2.308 1.00 0.00 C ATOM 0 H MET A 46 2.470 6.928 0.820 1.00 0.00 H new ATOM 0 HA MET A 46 2.042 4.158 1.129 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.319 5.487 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.667 5.511 0.430 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.990 3.717 -1.147 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.708 3.034 0.443 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.355 0.682 -2.502 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.876 2.221 -3.229 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.854 1.465 -1.949 1.00 0.00 H new ATOM 736 N ALA A 47 4.180 5.491 3.292 1.00 0.00 N ATOM 737 CA ALA A 47 4.760 5.266 4.616 1.00 0.00 C ATOM 738 C ALA A 47 3.693 4.896 5.651 1.00 0.00 C ATOM 739 O ALA A 47 3.871 3.905 6.352 1.00 0.00 O ATOM 740 CB ALA A 47 5.551 6.496 5.075 1.00 0.00 C ATOM 0 H ALA A 47 4.313 6.439 2.939 1.00 0.00 H new ATOM 0 HA ALA A 47 5.443 4.420 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.974 6.309 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.355 6.696 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.887 7.359 5.123 1.00 0.00 H new ATOM 746 N LEU A 48 2.568 5.616 5.721 1.00 0.00 N ATOM 747 CA LEU A 48 1.515 5.331 6.707 1.00 0.00 C ATOM 748 C LEU A 48 1.001 3.881 6.611 1.00 0.00 C ATOM 749 O LEU A 48 0.881 3.215 7.642 1.00 0.00 O ATOM 750 CB LEU A 48 0.370 6.354 6.573 1.00 0.00 C ATOM 751 CG LEU A 48 0.747 7.806 6.930 1.00 0.00 C ATOM 752 CD1 LEU A 48 -0.411 8.739 6.578 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.060 7.981 8.416 1.00 0.00 C ATOM 0 H LEU A 48 2.361 6.403 5.106 1.00 0.00 H new ATOM 0 HA LEU A 48 1.952 5.432 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.002 6.332 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.454 6.040 7.214 1.00 0.00 H new ATOM 0 HG LEU A 48 1.642 8.049 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.142 9.764 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.621 8.672 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.298 8.447 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.319 9.021 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.186 7.707 9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.898 7.340 8.689 1.00 0.00 H new ATOM 765 N ILE A 49 0.799 3.338 5.400 1.00 0.00 N ATOM 766 CA ILE A 49 0.400 1.926 5.222 1.00 0.00 C ATOM 767 C ILE A 49 1.541 0.916 5.424 1.00 0.00 C ATOM 768 O ILE A 49 1.255 -0.246 5.698 1.00 0.00 O ATOM 769 CB ILE A 49 -0.329 1.672 3.881 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.565 1.897 2.646 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.591 2.539 3.803 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.116 1.567 1.310 1.00 0.00 C ATOM 0 H ILE A 49 0.905 3.853 4.526 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.311 1.750 6.029 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.604 0.617 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.888 2.938 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.463 1.286 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.100 2.356 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.257 2.287 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.314 3.591 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.580 1.752 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.414 0.519 1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.998 2.196 1.186 1.00 0.00 H new ATOM 784 N LYS A 50 2.817 1.314 5.314 1.00 0.00 N ATOM 785 CA LYS A 50 3.987 0.431 5.524 1.00 0.00 C ATOM 786 C LYS A 50 4.579 0.496 6.950 1.00 0.00 C ATOM 787 O LYS A 50 5.313 -0.410 7.339 1.00 0.00 O ATOM 788 CB LYS A 50 5.039 0.683 4.417 1.00 0.00 C ATOM 789 CG LYS A 50 5.303 -0.528 3.508 1.00 0.00 C ATOM 790 CD LYS A 50 4.148 -0.896 2.566 1.00 0.00 C ATOM 791 CE LYS A 50 3.923 0.146 1.463 1.00 0.00 C ATOM 792 NZ LYS A 50 2.961 -0.352 0.449 1.00 0.00 N ATOM 0 H LYS A 50 3.075 2.271 5.073 1.00 0.00 H new ATOM 0 HA LYS A 50 3.637 -0.598 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.708 1.519 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.977 0.983 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.191 -0.327 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.530 -1.391 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.353 -1.864 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.233 -1.006 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.548 1.070 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.872 0.383 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.722 0.417 -0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.389 -1.139 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.097 -0.683 0.923 1.00 0.00 H new ATOM 806 N LEU A 51 4.230 1.519 7.736 1.00 0.00 N ATOM 807 CA LEU A 51 4.511 1.652 9.179 1.00 0.00 C ATOM 808 C LEU A 51 3.331 1.135 10.030 1.00 0.00 C ATOM 809 O LEU A 51 3.526 0.650 11.142 1.00 0.00 O ATOM 810 CB LEU A 51 4.827 3.134 9.491 1.00 0.00 C ATOM 811 CG LEU A 51 5.970 3.368 10.500 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.288 4.863 10.571 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.658 2.875 11.911 1.00 0.00 C ATOM 0 H LEU A 51 3.717 2.321 7.369 1.00 0.00 H new ATOM 0 HA LEU A 51 5.374 1.039 9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.080 3.638 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.923 3.608 9.875 1.00 0.00 H new ATOM 0 HG LEU A 51 6.819 2.790 10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.096 5.030 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.594 5.217 9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.401 5.409 10.893 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.509 3.074 12.563 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.779 3.395 12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.463 1.803 11.887 1.00 0.00 H new ATOM 825 N GLY A 52 2.105 1.204 9.503 1.00 0.00 N ATOM 826 CA GLY A 52 0.906 0.627 10.118 1.00 0.00 C ATOM 827 C GLY A 52 -0.039 1.623 10.796 1.00 0.00 C ATOM 828 O GLY A 52 -0.768 1.257 11.713 1.00 0.00 O ATOM 0 H GLY A 52 1.914 1.673 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.349 0.091 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.219 -0.110 10.858 1.00 0.00 H new ATOM 832 N GLU A 53 -0.057 2.880 10.352 1.00 0.00 N ATOM 833 CA GLU A 53 -1.046 3.893 10.763 1.00 0.00 C ATOM 834 C GLU A 53 -2.163 3.995 9.707 1.00 0.00 C ATOM 835 O GLU A 53 -2.434 5.052 9.132 1.00 0.00 O ATOM 836 CB GLU A 53 -0.366 5.231 11.117 1.00 0.00 C ATOM 837 CG GLU A 53 0.917 5.119 11.961 1.00 0.00 C ATOM 838 CD GLU A 53 0.779 4.268 13.232 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.275 4.309 13.916 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.761 3.568 13.582 1.00 0.00 O ATOM 0 H GLU A 53 0.626 3.236 9.683 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.533 3.583 11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.126 5.753 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.082 5.851 11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.707 4.696 11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.237 6.122 12.245 1.00 0.00 H new ATOM 848 N TYR A 54 -2.784 2.851 9.396 1.00 0.00 N ATOM 849 CA TYR A 54 -3.714 2.683 8.273 1.00 0.00 C ATOM 850 C TYR A 54 -4.935 3.620 8.344 1.00 0.00 C ATOM 851 O TYR A 54 -5.388 4.107 7.308 1.00 0.00 O ATOM 852 CB TYR A 54 -4.159 1.210 8.169 1.00 0.00 C ATOM 853 CG TYR A 54 -3.067 0.172 8.369 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.302 -0.287 7.279 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.847 -0.365 9.655 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.331 -1.289 7.474 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.885 -1.373 9.848 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.128 -1.842 8.756 1.00 0.00 C ATOM 859 OH TYR A 54 -0.172 -2.786 8.956 1.00 0.00 O ATOM 0 H TYR A 54 -2.650 1.994 9.933 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.171 2.965 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.941 1.034 8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.607 1.054 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.460 0.129 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.420 -0.001 10.495 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.740 -1.635 6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.727 -1.787 10.833 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.170 -3.055 9.898 1.00 0.00 H new ATOM 869 N THR A 55 -5.422 3.955 9.544 1.00 0.00 N ATOM 870 CA THR A 55 -6.539 4.901 9.731 1.00 0.00 C ATOM 871 C THR A 55 -6.104 6.360 9.514 1.00 0.00 C ATOM 872 O THR A 55 -6.927 7.181 9.111 1.00 0.00 O ATOM 873 CB THR A 55 -7.248 4.663 11.078 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.835 3.378 11.042 1.00 0.00 O ATOM 875 CG2 THR A 55 -8.399 5.625 11.372 1.00 0.00 C ATOM 0 H THR A 55 -5.055 3.579 10.418 1.00 0.00 H new ATOM 0 HA THR A 55 -7.280 4.705 8.956 1.00 0.00 H new ATOM 0 HB THR A 55 -6.483 4.799 11.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.292 3.203 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.838 5.382 12.340 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.023 6.648 11.391 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.158 5.532 10.596 1.00 0.00 H new ATOM 883 N GLN A 56 -4.811 6.693 9.634 1.00 0.00 N ATOM 884 CA GLN A 56 -4.292 7.971 9.112 1.00 0.00 C ATOM 885 C GLN A 56 -4.182 7.934 7.578 1.00 0.00 C ATOM 886 O GLN A 56 -4.448 8.925 6.900 1.00 0.00 O ATOM 887 CB GLN A 56 -2.919 8.331 9.698 1.00 0.00 C ATOM 888 CG GLN A 56 -2.759 8.066 11.193 1.00 0.00 C ATOM 889 CD GLN A 56 -3.789 8.708 12.107 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.255 9.830 11.922 1.00 0.00 O ATOM 891 NE2 GLN A 56 -4.148 7.990 13.144 1.00 0.00 N ATOM 0 H GLN A 56 -4.109 6.104 10.083 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.007 8.735 9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.155 7.768 9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.728 9.388 9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.784 6.988 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.771 8.410 11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.752 7.060 13.283 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.824 8.361 13.812 1.00 0.00 H new ATOM 900 N ALA A 57 -3.810 6.778 7.016 1.00 0.00 N ATOM 901 CA ALA A 57 -3.575 6.631 5.581 1.00 0.00 C ATOM 902 C ALA A 57 -4.854 6.819 4.753 1.00 0.00 C ATOM 903 O ALA A 57 -4.814 7.506 3.734 1.00 0.00 O ATOM 904 CB ALA A 57 -2.942 5.270 5.298 1.00 0.00 C ATOM 0 H ALA A 57 -3.664 5.919 7.547 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.889 7.422 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.769 5.165 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.993 5.193 5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.612 4.480 5.636 1.00 0.00 H new ATOM 910 N ILE A 58 -5.990 6.267 5.196 1.00 0.00 N ATOM 911 CA ILE A 58 -7.282 6.457 4.512 1.00 0.00 C ATOM 912 C ILE A 58 -7.704 7.934 4.479 1.00 0.00 C ATOM 913 O ILE A 58 -8.202 8.404 3.455 1.00 0.00 O ATOM 914 CB ILE A 58 -8.386 5.543 5.099 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.711 5.868 6.573 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.990 4.064 4.928 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.749 4.943 7.224 1.00 0.00 C ATOM 0 H ILE A 58 -6.044 5.681 6.029 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.142 6.151 3.475 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.301 5.735 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.789 5.820 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.072 6.895 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.772 3.428 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.865 3.841 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.053 3.876 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.912 5.249 8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.688 5.007 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.385 3.916 7.203 1.00 0.00 H new ATOM 929 N GLN A 59 -7.429 8.692 5.548 1.00 0.00 N ATOM 930 CA GLN A 59 -7.650 10.139 5.613 1.00 0.00 C ATOM 931 C GLN A 59 -6.718 10.878 4.639 1.00 0.00 C ATOM 932 O GLN A 59 -7.192 11.631 3.789 1.00 0.00 O ATOM 933 CB GLN A 59 -7.529 10.582 7.082 1.00 0.00 C ATOM 934 CG GLN A 59 -7.622 12.093 7.344 1.00 0.00 C ATOM 935 CD GLN A 59 -6.286 12.820 7.187 1.00 0.00 C ATOM 936 OE1 GLN A 59 -5.323 12.563 7.903 1.00 0.00 O ATOM 937 NE2 GLN A 59 -6.177 13.735 6.250 1.00 0.00 N ATOM 0 H GLN A 59 -7.039 8.307 6.408 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.654 10.402 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.312 10.086 7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.575 10.225 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.347 12.529 6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.000 12.257 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.975 13.951 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.294 14.229 6.120 1.00 0.00 H new ATOM 946 N MET A 60 -5.411 10.592 4.672 1.00 0.00 N ATOM 947 CA MET A 60 -4.430 11.234 3.786 1.00 0.00 C ATOM 948 C MET A 60 -4.662 10.918 2.295 1.00 0.00 C ATOM 949 O MET A 60 -4.435 11.776 1.444 1.00 0.00 O ATOM 950 CB MET A 60 -3.013 10.858 4.242 1.00 0.00 C ATOM 951 CG MET A 60 -1.944 11.687 3.515 1.00 0.00 C ATOM 952 SD MET A 60 -0.261 11.528 4.175 1.00 0.00 S ATOM 953 CE MET A 60 -0.439 12.495 5.702 1.00 0.00 C ATOM 0 H MET A 60 -5.003 9.910 5.312 1.00 0.00 H new ATOM 0 HA MET A 60 -4.558 12.313 3.868 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.924 11.012 5.317 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.840 9.798 4.056 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.934 11.396 2.465 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.234 12.737 3.552 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.543 12.655 6.148 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.894 13.458 5.472 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.073 11.953 6.404 1.00 0.00 H new ATOM 963 N CYS A 61 -5.170 9.728 1.952 1.00 0.00 N ATOM 964 CA CYS A 61 -5.499 9.393 0.563 1.00 0.00 C ATOM 965 C CYS A 61 -6.719 10.178 0.052 1.00 0.00 C ATOM 966 O CYS A 61 -6.676 10.703 -1.058 1.00 0.00 O ATOM 967 CB CYS A 61 -5.678 7.876 0.396 1.00 0.00 C ATOM 968 SG CYS A 61 -4.125 7.003 0.733 1.00 0.00 S ATOM 0 H CYS A 61 -5.362 8.981 2.619 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.657 9.698 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.455 7.520 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.013 7.654 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.942 6.924 2.018 1.00 0.00 H new ATOM 974 N GLN A 62 -7.781 10.326 0.854 1.00 0.00 N ATOM 975 CA GLN A 62 -8.978 11.093 0.465 1.00 0.00 C ATOM 976 C GLN A 62 -8.703 12.608 0.440 1.00 0.00 C ATOM 977 O GLN A 62 -9.157 13.298 -0.478 1.00 0.00 O ATOM 978 CB GLN A 62 -10.156 10.693 1.375 1.00 0.00 C ATOM 979 CG GLN A 62 -10.593 9.245 1.074 1.00 0.00 C ATOM 980 CD GLN A 62 -11.535 8.645 2.113 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.722 8.440 1.892 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.031 8.283 3.267 1.00 0.00 N ATOM 0 H GLN A 62 -7.838 9.920 1.788 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.255 10.844 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.864 10.782 2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.993 11.373 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.082 9.220 0.100 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.705 8.618 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.044 8.447 3.466 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.625 7.837 3.966 1.00 0.00 H new ATOM 991 N GLN A 63 -7.836 13.098 1.331 1.00 0.00 N ATOM 992 CA GLN A 63 -7.213 14.422 1.237 1.00 0.00 C ATOM 993 C GLN A 63 -6.385 14.591 -0.049 1.00 0.00 C ATOM 994 O GLN A 63 -6.373 15.671 -0.630 1.00 0.00 O ATOM 995 CB GLN A 63 -6.370 14.633 2.507 1.00 0.00 C ATOM 996 CG GLN A 63 -5.504 15.901 2.532 1.00 0.00 C ATOM 997 CD GLN A 63 -4.051 15.636 2.151 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.220 15.328 2.995 1.00 0.00 O ATOM 999 NE2 GLN A 63 -3.682 15.717 0.890 1.00 0.00 N ATOM 0 H GLN A 63 -7.541 12.574 2.155 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.985 15.189 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.041 14.657 3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.719 13.769 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.926 16.636 1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.539 16.339 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.363 15.972 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.715 15.524 0.628 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.684 13.558 -0.531 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.933 13.634 -1.790 1.00 0.00 C ATOM 1010 C GLY A 64 -5.814 13.603 -3.040 1.00 0.00 C ATOM 1011 O GLY A 64 -5.479 14.264 -4.015 1.00 0.00 O ATOM 0 H GLY A 64 -5.621 12.653 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.344 14.551 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.229 12.803 -1.833 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.980 12.946 -3.010 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.968 13.000 -4.103 1.00 0.00 C ATOM 1017 C LEU A 65 -8.484 14.435 -4.369 1.00 0.00 C ATOM 1018 O LEU A 65 -8.856 14.737 -5.505 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.105 11.999 -3.828 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.696 10.517 -3.916 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.871 9.637 -3.494 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.255 10.106 -5.324 1.00 0.00 C ATOM 0 H LEU A 65 -7.269 12.360 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.472 12.703 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.507 12.192 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.911 12.182 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.845 10.383 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.581 8.588 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.154 9.875 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.718 9.819 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.978 9.052 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.075 10.267 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.397 10.706 -5.626 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.390 15.366 -3.406 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.655 16.814 -3.612 1.00 0.00 C ATOM 1036 C ARG A 66 -7.656 17.530 -4.545 1.00 0.00 C ATOM 1037 O ARG A 66 -7.890 18.671 -4.945 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.735 17.544 -2.263 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.832 16.974 -1.351 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.982 17.844 -0.103 1.00 0.00 C ATOM 1041 NE ARG A 66 -11.104 17.393 0.735 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.136 17.343 2.056 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -10.128 17.688 2.802 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.208 16.942 2.669 1.00 0.00 N ATOM 0 H ARG A 66 -8.125 15.140 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.616 16.857 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.772 17.472 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.925 18.603 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.778 16.932 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.583 15.952 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.059 17.814 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.140 18.881 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.945 17.087 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.263 18.015 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.202 17.631 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.029 16.664 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.229 16.905 3.688 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.566 16.858 -4.921 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.513 17.329 -5.830 1.00 0.00 C ATOM 1060 C TYR A 67 -5.549 16.589 -7.194 1.00 0.00 C ATOM 1061 O TYR A 67 -4.499 16.398 -7.806 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.144 17.182 -5.123 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.882 18.058 -3.905 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.380 17.692 -2.637 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -3.065 19.204 -4.029 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -4.124 18.508 -1.513 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.770 19.997 -2.902 1.00 0.00 C ATOM 1068 CZ TYR A 67 -3.324 19.667 -1.645 1.00 0.00 C ATOM 1069 OH TYR A 67 -3.089 20.478 -0.574 1.00 0.00 O ATOM 0 H TYR A 67 -6.382 15.914 -4.580 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.683 18.380 -6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.033 16.141 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.364 17.384 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.958 16.786 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.664 19.474 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.540 18.247 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.122 20.855 -2.999 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.518 21.226 -0.849 1.00 0.00 H new ATOM 1079 N THR A 68 -6.711 16.091 -7.656 1.00 0.00 N ATOM 1080 CA THR A 68 -6.799 15.129 -8.789 1.00 0.00 C ATOM 1081 C THR A 68 -7.873 15.391 -9.855 1.00 0.00 C ATOM 1082 O THR A 68 -7.931 14.666 -10.852 1.00 0.00 O ATOM 1083 CB THR A 68 -6.916 13.680 -8.299 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.155 13.420 -7.682 1.00 0.00 O ATOM 1085 CG2 THR A 68 -5.829 13.309 -7.302 1.00 0.00 C ATOM 0 H THR A 68 -7.618 16.339 -7.261 1.00 0.00 H new ATOM 0 HA THR A 68 -5.851 15.298 -9.300 1.00 0.00 H new ATOM 0 HB THR A 68 -6.812 13.078 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.146 13.773 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.960 12.273 -6.989 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.851 13.425 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.895 13.962 -6.432 1.00 0.00 H new ATOM 1093 N SER A 69 -8.686 16.442 -9.725 1.00 0.00 N ATOM 1094 CA SER A 69 -9.728 16.822 -10.704 1.00 0.00 C ATOM 1095 C SER A 69 -9.161 17.574 -11.928 1.00 0.00 C ATOM 1096 O SER A 69 -9.734 18.558 -12.403 1.00 0.00 O ATOM 1097 CB SER A 69 -10.859 17.597 -10.020 1.00 0.00 C ATOM 1098 OG SER A 69 -11.502 16.794 -9.043 1.00 0.00 O ATOM 0 H SER A 69 -8.644 17.071 -8.923 1.00 0.00 H new ATOM 0 HA SER A 69 -10.147 15.897 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.458 18.496 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.585 17.922 -10.765 1.00 0.00 H new ATOM 0 HG SER A 69 -12.219 17.308 -8.617 1.00 0.00 H new ATOM 1104 N THR A 70 -8.005 17.128 -12.427 1.00 0.00 N ATOM 1105 CA THR A 70 -7.270 17.711 -13.557 1.00 0.00 C ATOM 1106 C THR A 70 -6.455 16.655 -14.309 1.00 0.00 C ATOM 1107 O THR A 70 -5.864 15.766 -13.694 1.00 0.00 O ATOM 1108 CB THR A 70 -6.353 18.859 -13.096 1.00 0.00 C ATOM 1109 OG1 THR A 70 -5.501 19.242 -14.151 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.441 18.536 -11.912 1.00 0.00 C ATOM 0 H THR A 70 -7.532 16.312 -12.037 1.00 0.00 H new ATOM 0 HA THR A 70 -8.014 18.116 -14.243 1.00 0.00 H new ATOM 0 HB THR A 70 -7.045 19.641 -12.783 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.921 19.974 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.838 19.411 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.048 18.262 -11.049 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.786 17.705 -12.173 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.332 16.800 -15.632 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.449 16.000 -16.487 1.00 0.00 C ATOM 1120 C ALA A 71 -3.947 16.099 -16.117 1.00 0.00 C ATOM 1121 O ALA A 71 -3.148 15.263 -16.555 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.701 16.423 -17.940 1.00 0.00 C ATOM 0 H ALA A 71 -6.861 17.499 -16.154 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.690 14.947 -16.338 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.058 15.845 -18.604 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.745 16.241 -18.196 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.480 17.484 -18.054 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.551 17.069 -15.282 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.220 17.148 -14.658 1.00 0.00 C ATOM 1130 C GLU A 72 -2.004 16.053 -13.591 1.00 0.00 C ATOM 1131 O GLU A 72 -0.876 15.598 -13.377 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.054 18.554 -14.050 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.615 18.917 -13.636 1.00 0.00 C ATOM 1134 CD GLU A 72 0.357 19.018 -14.820 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -0.012 19.588 -15.874 1.00 0.00 O ATOM 1136 OE2 GLU A 72 1.507 18.523 -14.705 1.00 0.00 O ATOM 0 H GLU A 72 -4.162 17.841 -15.014 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.462 16.975 -15.422 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.405 19.290 -14.773 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.699 18.634 -13.175 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.628 19.869 -13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.246 18.166 -12.937 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.081 15.587 -12.953 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.074 14.710 -11.776 1.00 0.00 C ATOM 1146 C HIS A 73 -4.085 13.544 -11.894 1.00 0.00 C ATOM 1147 O HIS A 73 -4.461 12.927 -10.898 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.284 15.567 -10.519 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.256 16.655 -10.290 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -0.888 16.540 -10.379 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.520 17.948 -9.932 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.345 17.735 -10.097 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.302 18.634 -9.798 1.00 0.00 N ATOM 0 H HIS A 73 -4.026 15.821 -13.256 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.104 14.219 -11.703 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.269 16.029 -10.577 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.291 14.909 -9.650 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.502 18.371 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.714 17.946 -10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.170 19.609 -9.530 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.501 13.188 -13.113 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.378 12.033 -13.384 1.00 0.00 C ATOM 1164 C VAL A 74 -4.735 10.705 -12.959 1.00 0.00 C ATOM 1165 O VAL A 74 -5.410 9.853 -12.386 1.00 0.00 O ATOM 1166 CB VAL A 74 -5.822 12.036 -14.862 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -4.663 11.899 -15.859 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -6.860 10.947 -15.143 1.00 0.00 C ATOM 0 H VAL A 74 -4.237 13.699 -13.956 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.273 12.132 -12.770 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.268 13.019 -15.015 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.055 11.909 -16.876 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.971 12.731 -15.728 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.139 10.960 -15.681 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.148 10.981 -16.194 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.433 9.970 -14.915 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.739 11.113 -14.521 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.411 10.562 -13.100 1.00 0.00 N ATOM 1179 CA ALA A 75 -2.693 9.386 -12.598 1.00 0.00 C ATOM 1180 C ALA A 75 -2.636 9.365 -11.059 1.00 0.00 C ATOM 1181 O ALA A 75 -2.690 8.307 -10.433 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.295 9.354 -13.228 1.00 0.00 C ATOM 0 H ALA A 75 -2.814 11.250 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.232 8.484 -12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.751 8.483 -12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.386 9.296 -14.313 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.753 10.260 -12.958 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.610 10.543 -10.426 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.681 10.691 -8.967 1.00 0.00 C ATOM 1190 C ILE A 76 -4.067 10.271 -8.435 1.00 0.00 C ATOM 1191 O ILE A 76 -4.156 9.691 -7.349 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.315 12.136 -8.563 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.956 12.641 -9.103 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.372 12.341 -7.052 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.286 11.907 -8.580 1.00 0.00 C ATOM 0 H ILE A 76 -2.538 11.433 -10.919 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.953 10.023 -8.507 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.083 12.740 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.968 12.566 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.860 13.699 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.107 13.371 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.381 12.134 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.669 11.664 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.181 12.344 -9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.335 12.003 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.225 10.852 -8.849 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.145 10.464 -9.212 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.494 9.956 -8.883 1.00 0.00 C ATOM 1209 C ARG A 77 -6.489 8.436 -8.693 1.00 0.00 C ATOM 1210 O ARG A 77 -7.074 7.935 -7.729 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.492 10.385 -9.981 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.951 10.394 -9.495 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.914 10.999 -10.527 1.00 0.00 C ATOM 1214 NE ARG A 77 -9.914 10.220 -11.775 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.433 10.559 -12.934 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.203 11.589 -13.123 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -10.164 9.832 -13.971 1.00 0.00 N ATOM 0 H ARG A 77 -5.109 10.979 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.810 10.391 -7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.227 11.381 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.402 9.709 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.261 9.374 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.017 10.961 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.922 11.029 -10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.625 12.029 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.457 9.309 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.442 12.198 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.569 11.788 -14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.560 9.015 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.556 10.076 -14.881 1.00 0.00 H new ATOM 1231 N SER A 78 -5.751 7.730 -9.551 1.00 0.00 N ATOM 1232 CA SER A 78 -5.517 6.285 -9.479 1.00 0.00 C ATOM 1233 C SER A 78 -4.491 5.882 -8.415 1.00 0.00 C ATOM 1234 O SER A 78 -4.731 4.887 -7.724 1.00 0.00 O ATOM 1235 CB SER A 78 -5.158 5.768 -10.879 1.00 0.00 C ATOM 1236 OG SER A 78 -6.228 6.048 -11.773 1.00 0.00 O ATOM 0 H SER A 78 -5.282 8.164 -10.346 1.00 0.00 H new ATOM 0 HA SER A 78 -6.439 5.807 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.242 6.243 -11.230 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.969 4.695 -10.845 1.00 0.00 H new ATOM 0 HG SER A 78 -6.001 5.720 -12.668 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.433 6.679 -8.170 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.530 6.497 -7.012 1.00 0.00 C ATOM 1244 C LYS A 79 -3.328 6.424 -5.709 1.00 0.00 C ATOM 1245 O LYS A 79 -3.308 5.385 -5.054 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.471 7.612 -6.878 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.311 7.626 -7.881 1.00 0.00 C ATOM 1248 CD LYS A 79 0.744 6.536 -7.629 1.00 0.00 C ATOM 1249 CE LYS A 79 2.046 6.940 -8.331 1.00 0.00 C ATOM 1250 NZ LYS A 79 3.033 5.832 -8.359 1.00 0.00 N ATOM 0 H LYS A 79 -3.179 7.466 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.006 5.559 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.985 8.571 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.046 7.550 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.712 7.504 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.174 8.602 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.914 6.414 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.393 5.576 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.825 7.254 -9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.481 7.799 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.897 6.149 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.265 5.549 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.629 5.020 -8.869 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.037 7.492 -5.319 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.629 7.539 -3.975 1.00 0.00 C ATOM 1266 C LEU A 80 -5.805 6.562 -3.809 1.00 0.00 C ATOM 1267 O LEU A 80 -6.002 6.065 -2.704 1.00 0.00 O ATOM 1268 CB LEU A 80 -4.975 8.975 -3.520 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.808 9.901 -3.108 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.732 9.234 -2.249 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.118 10.502 -4.322 1.00 0.00 C ATOM 0 H LEU A 80 -4.212 8.314 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.851 7.191 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.519 9.461 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.660 8.903 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.291 10.669 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.955 9.960 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.180 8.865 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.293 8.401 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.303 11.147 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.720 9.703 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.836 11.087 -4.896 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.526 6.194 -4.875 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.567 5.158 -4.780 1.00 0.00 C ATOM 1285 C GLN A 81 -7.019 3.734 -4.651 1.00 0.00 C ATOM 1286 O GLN A 81 -7.591 2.958 -3.881 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.576 5.293 -5.932 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.635 6.310 -5.495 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.509 6.810 -6.626 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.629 6.351 -6.821 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.047 7.785 -7.371 1.00 0.00 N ATOM 0 H GLN A 81 -6.411 6.593 -5.807 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.093 5.336 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.077 5.625 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.037 4.330 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.268 5.856 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.137 7.161 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.114 8.159 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.621 8.169 -8.122 1.00 0.00 H new ATOM 1300 N TYR A 82 -5.894 3.388 -5.295 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.258 2.090 -5.040 1.00 0.00 C ATOM 1302 C TYR A 82 -4.556 2.069 -3.667 1.00 0.00 C ATOM 1303 O TYR A 82 -4.674 1.073 -2.953 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.372 1.643 -6.220 1.00 0.00 C ATOM 1305 CG TYR A 82 -2.902 1.493 -5.895 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -2.459 0.374 -5.164 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -1.995 2.501 -6.265 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.123 0.284 -4.741 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -0.647 2.406 -5.859 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.214 1.309 -5.077 1.00 0.00 C ATOM 1311 OH TYR A 82 1.063 1.261 -4.618 1.00 0.00 O ATOM 0 H TYR A 82 -5.416 3.974 -5.980 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.038 1.331 -4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.745 0.690 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.478 2.366 -7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.151 -0.420 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.327 3.342 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.793 -0.566 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.057 3.173 -6.146 1.00 0.00 H new ATOM 0 HH TYR A 82 1.654 1.727 -5.246 1.00 0.00 H new ATOM 1321 N ARG A 83 -3.918 3.171 -3.230 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.397 3.311 -1.850 1.00 0.00 C ATOM 1323 C ARG A 83 -4.502 3.098 -0.811 1.00 0.00 C ATOM 1324 O ARG A 83 -4.275 2.408 0.176 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.799 4.706 -1.603 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.516 5.097 -2.346 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.248 4.379 -1.872 1.00 0.00 C ATOM 1328 NE ARG A 83 0.944 5.174 -2.227 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.784 5.014 -3.234 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.731 4.053 -4.102 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.742 5.869 -3.401 1.00 0.00 N ATOM 0 H ARG A 83 -3.748 3.987 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.624 2.550 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.563 5.442 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.604 4.798 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.654 4.896 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.367 6.172 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.287 4.228 -0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.186 3.392 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 83 1.148 5.958 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.999 3.346 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.422 4.004 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.842 6.655 -2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.397 5.756 -4.175 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.691 3.661 -1.036 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.860 3.527 -0.160 1.00 0.00 C ATOM 1347 C LEU A 84 -7.418 2.095 -0.140 1.00 0.00 C ATOM 1348 O LEU A 84 -7.734 1.579 0.932 1.00 0.00 O ATOM 1349 CB LEU A 84 -7.890 4.568 -0.628 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.239 4.612 0.112 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.086 4.778 1.619 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.041 5.811 -0.390 1.00 0.00 C ATOM 0 H LEU A 84 -5.874 4.240 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.584 3.718 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.431 5.554 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.091 4.392 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.735 3.662 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.071 4.802 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.515 3.941 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.562 5.710 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.999 5.851 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.485 6.728 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.213 5.711 -1.462 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.473 1.422 -1.290 1.00 0.00 N ATOM 1365 CA GLU A 85 -7.810 -0.012 -1.365 1.00 0.00 C ATOM 1366 C GLU A 85 -6.770 -0.895 -0.651 1.00 0.00 C ATOM 1367 O GLU A 85 -7.147 -1.861 0.016 1.00 0.00 O ATOM 1368 CB GLU A 85 -7.999 -0.462 -2.830 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.373 -0.060 -3.394 1.00 0.00 C ATOM 1370 CD GLU A 85 -9.593 -0.482 -4.857 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -9.328 -1.654 -5.222 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -10.070 0.349 -5.671 1.00 0.00 O ATOM 0 H GLU A 85 -7.287 1.849 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.756 -0.142 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.214 -0.024 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.886 -1.544 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.153 -0.505 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.484 1.022 -3.317 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.474 -0.570 -0.715 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.421 -1.338 -0.032 1.00 0.00 C ATOM 1382 C LEU A 86 -4.214 -0.952 1.439 1.00 0.00 C ATOM 1383 O LEU A 86 -3.756 -1.795 2.205 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.111 -1.308 -0.843 1.00 0.00 C ATOM 1385 CG LEU A 86 -2.920 -2.509 -1.793 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.689 -3.822 -1.039 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.080 -2.700 -2.770 1.00 0.00 C ATOM 0 H LEU A 86 -5.124 0.231 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.771 -2.369 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.082 -0.389 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.270 -1.271 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.026 -2.260 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.561 -4.635 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.794 -3.735 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.548 -4.032 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.880 -3.561 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.002 -2.867 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.186 -1.808 -3.387 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.627 0.236 1.888 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.667 0.579 3.312 1.00 0.00 C ATOM 1401 C ALA A 87 -5.568 -0.399 4.080 1.00 0.00 C ATOM 1402 O ALA A 87 -5.148 -0.988 5.076 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.146 2.029 3.474 1.00 0.00 C ATOM 0 H ALA A 87 -4.943 0.987 1.275 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.665 0.495 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.176 2.286 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.459 2.699 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.143 2.133 3.047 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.774 -0.652 3.555 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.665 -1.676 4.107 1.00 0.00 C ATOM 1411 C GLN A 88 -7.233 -3.109 3.735 1.00 0.00 C ATOM 1412 O GLN A 88 -7.415 -4.038 4.522 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.138 -1.324 3.847 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.565 -1.040 2.399 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.682 -0.004 2.352 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.783 -0.192 2.858 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.428 1.158 1.798 1.00 0.00 N ATOM 0 H GLN A 88 -7.154 -0.159 2.747 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.568 -1.674 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.749 -2.146 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.383 -0.447 4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.709 -0.683 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.901 -1.964 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.518 1.332 1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.141 1.887 1.793 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.539 -3.293 2.606 1.00 0.00 N ATOM 1427 CA GLY A 89 -5.952 -4.573 2.182 1.00 0.00 C ATOM 1428 C GLY A 89 -4.788 -5.065 3.050 1.00 0.00 C ATOM 1429 O GLY A 89 -4.562 -6.273 3.169 1.00 0.00 O ATOM 0 H GLY A 89 -6.365 -2.537 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.733 -5.333 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.604 -4.474 1.154 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.084 -4.146 3.709 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.028 -4.435 4.668 1.00 0.00 C ATOM 1435 C ALA A 90 -3.558 -4.634 6.100 1.00 0.00 C ATOM 1436 O ALA A 90 -3.002 -5.455 6.836 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.015 -3.292 4.596 1.00 0.00 C ATOM 0 H ALA A 90 -4.241 -3.146 3.583 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.556 -5.382 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.207 -3.477 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.606 -3.231 3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.508 -2.352 4.845 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.622 -3.921 6.498 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.119 -3.944 7.895 1.00 0.00 C ATOM 1445 C VAL A 91 -6.168 -5.034 8.172 1.00 0.00 C ATOM 1446 O VAL A 91 -6.252 -5.514 9.305 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.625 -2.549 8.326 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.066 -2.257 7.901 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.544 -2.362 9.844 1.00 0.00 C ATOM 0 H VAL A 91 -5.160 -3.318 5.876 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.260 -4.211 8.510 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.962 -1.852 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.350 -1.260 8.239 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.142 -2.307 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.733 -2.995 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.908 -1.369 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.157 -3.117 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.509 -2.467 10.169 1.00 0.00 H new