USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 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 23 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.3) USER MOD Set 1.2: A 51 MET CE :methyl -159:sc= 0 (180deg=-0.449) USER MOD Set 2.1: A 34 SER OG : rot -62:sc= 1.14 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.31 K(o=2.5,f=-8.7!) USER MOD Set 3.1: A 10 GLN : amide:sc= -1.53! C(o=-4.2!,f=-5.7!) USER MOD Set 3.2: A 11 GLN : amide:sc= -2.72! K(o=-4.2!,f=-5.7) USER MOD Single : A 5 HIS : no HD1:sc= -0.745 X(o=-0.75,f=-0.54) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 176:sc= -0.688 USER MOD Single : A 14 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -162:sc= 0.16 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.901 K(o=0.9,f=-4.8!) USER MOD Single : A 32 ASN : amide:sc= -0.0565 K(o=-0.057,f=-2.8!) USER MOD Single : A 40 GLN : amide:sc= -2.53 K(o=-2.5,f=-1.4!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.03 (180deg=-0.127) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 4:sc= 0.884 USER MOD Single : A 53 SER OG : rot -117:sc= 1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 0.922 (180deg=-1.06!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.12) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.865 -0.196 -2.146 1.00 0.00 N ATOM 45 CA VAL A 4 9.577 -0.896 -2.216 1.00 0.00 C ATOM 46 C VAL A 4 9.549 -2.020 -3.235 1.00 0.00 C ATOM 47 O VAL A 4 8.887 -3.026 -3.032 1.00 0.00 O ATOM 48 CB VAL A 4 8.409 0.083 -2.442 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.558 1.241 -1.510 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.317 0.564 -3.870 1.00 0.00 C ATOM 0 HA VAL A 4 9.449 -1.366 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 4 7.481 -0.451 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.735 1.939 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.544 0.884 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.504 1.746 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.476 1.251 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.239 1.078 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.169 -0.289 -4.532 1.00 0.00 H new ATOM 60 N HIS A 5 10.318 -1.880 -4.297 1.00 0.00 N ATOM 61 CA HIS A 5 10.384 -2.898 -5.348 1.00 0.00 C ATOM 62 C HIS A 5 11.115 -4.166 -4.840 1.00 0.00 C ATOM 63 O HIS A 5 11.178 -5.195 -5.526 1.00 0.00 O ATOM 64 CB HIS A 5 11.071 -2.334 -6.614 1.00 0.00 C ATOM 65 CG HIS A 5 12.388 -1.669 -6.358 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.514 -0.324 -6.172 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.632 -2.187 -6.209 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.773 -0.053 -5.911 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.515 -1.155 -5.923 1.00 0.00 N ATOM 0 H HIS A 5 10.913 -1.068 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 5 9.365 -3.180 -5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.220 -3.147 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.401 -1.616 -7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.893 -3.231 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.155 0.937 -5.712 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.519 -1.227 -5.757 1.00 0.00 H new ATOM 77 N GLU A 6 11.666 -4.055 -3.647 1.00 0.00 N ATOM 78 CA GLU A 6 12.379 -5.124 -2.974 1.00 0.00 C ATOM 79 C GLU A 6 11.475 -5.798 -1.946 1.00 0.00 C ATOM 80 O GLU A 6 11.817 -6.837 -1.389 1.00 0.00 O ATOM 81 CB GLU A 6 13.578 -4.528 -2.248 1.00 0.00 C ATOM 82 CG GLU A 6 14.638 -3.948 -3.150 1.00 0.00 C ATOM 83 CD GLU A 6 15.473 -5.011 -3.786 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.086 -5.561 -4.828 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.560 -5.302 -3.259 1.00 0.00 O ATOM 0 H GLU A 6 11.629 -3.193 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 6 12.698 -5.861 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.226 -3.746 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.031 -5.302 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.165 -3.346 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.278 -3.280 -2.574 1.00 0.00 H new ATOM 92 N TRP A 7 10.320 -5.213 -1.697 1.00 0.00 N ATOM 93 CA TRP A 7 9.435 -5.724 -0.672 1.00 0.00 C ATOM 94 C TRP A 7 8.719 -6.963 -1.136 1.00 0.00 C ATOM 95 O TRP A 7 8.363 -7.081 -2.306 1.00 0.00 O ATOM 96 CB TRP A 7 8.448 -4.653 -0.175 1.00 0.00 C ATOM 97 CG TRP A 7 9.115 -3.479 0.487 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.419 -3.385 0.880 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.504 -2.242 0.854 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.654 -2.166 1.431 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.503 -1.445 1.433 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.216 -1.723 0.739 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.262 -0.164 1.895 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.973 -0.446 1.200 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.998 0.323 1.773 1.00 0.00 C ATOM 0 H TRP A 7 9.975 -4.388 -2.188 1.00 0.00 H new ATOM 0 HA TRP A 7 10.056 -6.001 0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.857 -4.296 -1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.753 -5.110 0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.156 -4.166 0.769 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.553 -1.843 1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.424 -2.309 0.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.049 0.429 2.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.979 -0.031 1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.779 1.321 2.124 1.00 0.00 H new ATOM 116 N SER A 8 8.540 -7.899 -0.232 1.00 0.00 N ATOM 117 CA SER A 8 7.900 -9.120 -0.565 1.00 0.00 C ATOM 118 C SER A 8 6.402 -9.058 -0.240 1.00 0.00 C ATOM 119 O SER A 8 5.584 -8.819 -1.100 1.00 0.00 O ATOM 120 CB SER A 8 8.570 -10.267 0.170 1.00 0.00 C ATOM 121 OG SER A 8 9.976 -10.250 -0.015 1.00 0.00 O ATOM 0 H SER A 8 8.836 -7.823 0.741 1.00 0.00 H new ATOM 0 HA SER A 8 7.997 -9.288 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.341 -10.203 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.166 -11.215 -0.186 1.00 0.00 H new ATOM 0 HG SER A 8 10.379 -10.999 0.471 1.00 0.00 H new ATOM 127 N VAL A 9 6.071 -9.235 1.023 1.00 0.00 N ATOM 128 CA VAL A 9 4.691 -9.215 1.481 1.00 0.00 C ATOM 129 C VAL A 9 4.664 -8.520 2.824 1.00 0.00 C ATOM 130 O VAL A 9 4.089 -7.460 2.981 1.00 0.00 O ATOM 131 CB VAL A 9 4.120 -10.662 1.636 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.725 -10.633 2.206 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.104 -11.396 0.306 1.00 0.00 C ATOM 0 H VAL A 9 6.751 -9.397 1.765 1.00 0.00 H new ATOM 0 HA VAL A 9 4.075 -8.693 0.749 1.00 0.00 H new ATOM 0 HB VAL A 9 4.778 -11.194 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.351 -11.652 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.742 -10.157 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.072 -10.069 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.701 -12.399 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.480 -10.852 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.120 -11.465 -0.084 1.00 0.00 H new ATOM 143 N GLN A 10 5.395 -9.090 3.762 1.00 0.00 N ATOM 144 CA GLN A 10 5.502 -8.567 5.128 1.00 0.00 C ATOM 145 C GLN A 10 6.083 -7.153 5.141 1.00 0.00 C ATOM 146 O GLN A 10 5.783 -6.340 6.002 1.00 0.00 O ATOM 147 CB GLN A 10 6.359 -9.512 6.021 1.00 0.00 C ATOM 148 CG GLN A 10 7.843 -9.723 5.623 1.00 0.00 C ATOM 149 CD GLN A 10 8.052 -10.405 4.268 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.227 -11.196 3.819 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.142 -10.109 3.608 1.00 0.00 N ATOM 0 H GLN A 10 5.940 -9.938 3.605 1.00 0.00 H new ATOM 0 HA GLN A 10 4.493 -8.522 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.336 -9.125 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.874 -10.488 6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.342 -8.754 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.330 -10.320 6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.813 -9.449 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.321 -10.538 2.700 1.00 0.00 H new ATOM 160 N GLN A 11 6.853 -6.864 4.129 1.00 0.00 N ATOM 161 CA GLN A 11 7.561 -5.622 4.021 1.00 0.00 C ATOM 162 C GLN A 11 6.672 -4.487 3.493 1.00 0.00 C ATOM 163 O GLN A 11 6.975 -3.321 3.680 1.00 0.00 O ATOM 164 CB GLN A 11 8.802 -5.844 3.171 1.00 0.00 C ATOM 165 CG GLN A 11 9.789 -6.799 3.831 1.00 0.00 C ATOM 166 CD GLN A 11 10.864 -7.339 2.916 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.345 -8.434 3.112 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.197 -6.622 1.911 1.00 0.00 N ATOM 0 H GLN A 11 7.008 -7.496 3.344 1.00 0.00 H new ATOM 0 HA GLN A 11 7.869 -5.294 5.014 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.508 -6.242 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.291 -4.887 2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.267 -6.285 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.234 -7.638 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.772 -5.704 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.887 -6.968 1.244 1.00 0.00 H new ATOM 177 N VAL A 12 5.542 -4.836 2.895 1.00 0.00 N ATOM 178 CA VAL A 12 4.628 -3.825 2.343 1.00 0.00 C ATOM 179 C VAL A 12 3.788 -3.228 3.487 1.00 0.00 C ATOM 180 O VAL A 12 3.265 -2.114 3.399 1.00 0.00 O ATOM 181 CB VAL A 12 3.679 -4.462 1.268 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.451 -5.139 1.873 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.290 -3.460 0.206 1.00 0.00 C ATOM 0 H VAL A 12 5.231 -5.800 2.776 1.00 0.00 H new ATOM 0 HA VAL A 12 5.215 -3.042 1.862 1.00 0.00 H new ATOM 0 HB VAL A 12 4.256 -5.253 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.837 -5.559 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.769 -5.937 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.869 -4.406 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.633 -3.937 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.770 -2.622 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.186 -3.098 -0.298 1.00 0.00 H new ATOM 193 N SER A 13 3.718 -3.967 4.588 1.00 0.00 N ATOM 194 CA SER A 13 2.876 -3.600 5.692 1.00 0.00 C ATOM 195 C SER A 13 3.497 -2.472 6.519 1.00 0.00 C ATOM 196 O SER A 13 2.776 -1.708 7.160 1.00 0.00 O ATOM 197 CB SER A 13 2.581 -4.842 6.523 1.00 0.00 C ATOM 198 OG SER A 13 2.333 -5.939 5.630 1.00 0.00 O ATOM 0 H SER A 13 4.244 -4.829 4.729 1.00 0.00 H new ATOM 0 HA SER A 13 1.932 -3.205 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.423 -5.069 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.716 -4.672 7.164 1.00 0.00 H new ATOM 0 HG SER A 13 2.206 -6.761 6.149 1.00 0.00 H new ATOM 204 N HIS A 14 4.832 -2.337 6.443 1.00 0.00 N ATOM 205 CA HIS A 14 5.561 -1.277 7.166 1.00 0.00 C ATOM 206 C HIS A 14 5.071 0.074 6.697 1.00 0.00 C ATOM 207 O HIS A 14 4.868 0.996 7.499 1.00 0.00 O ATOM 208 CB HIS A 14 7.079 -1.353 6.919 1.00 0.00 C ATOM 209 CG HIS A 14 7.741 -2.630 7.331 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.884 -3.048 8.630 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.297 -3.586 6.575 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.500 -4.224 8.621 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.777 -4.599 7.388 1.00 0.00 N ATOM 0 H HIS A 14 5.430 -2.949 5.888 1.00 0.00 H new ATOM 0 HA HIS A 14 5.375 -1.417 8.231 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.264 -1.196 5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.557 -0.530 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.361 -3.569 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.742 -4.796 9.505 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.246 -5.456 7.094 1.00 0.00 H new ATOM 221 N TRP A 15 4.866 0.165 5.388 1.00 0.00 N ATOM 222 CA TRP A 15 4.355 1.351 4.756 1.00 0.00 C ATOM 223 C TRP A 15 2.971 1.661 5.273 1.00 0.00 C ATOM 224 O TRP A 15 2.775 2.687 5.884 1.00 0.00 O ATOM 225 CB TRP A 15 4.354 1.187 3.227 1.00 0.00 C ATOM 226 CG TRP A 15 3.561 2.231 2.486 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.823 3.564 2.400 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.370 2.007 1.726 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.871 4.185 1.624 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.965 3.246 1.203 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.607 0.878 1.440 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.831 3.374 0.409 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.487 1.024 0.651 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.115 2.249 0.156 1.00 0.00 C ATOM 0 H TRP A 15 5.056 -0.598 4.738 1.00 0.00 H new ATOM 0 HA TRP A 15 5.005 2.191 5.001 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.384 1.211 2.871 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.955 0.203 2.980 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.657 4.062 2.872 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.844 5.180 1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.887 -0.090 1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.531 4.331 0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.111 0.156 0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.774 2.320 -0.453 1.00 0.00 H new ATOM 245 N LEU A 16 2.047 0.721 5.074 1.00 0.00 N ATOM 246 CA LEU A 16 0.633 0.853 5.463 1.00 0.00 C ATOM 247 C LEU A 16 0.467 1.355 6.895 1.00 0.00 C ATOM 248 O LEU A 16 -0.278 2.303 7.148 1.00 0.00 O ATOM 249 CB LEU A 16 -0.056 -0.491 5.309 1.00 0.00 C ATOM 250 CG LEU A 16 -0.210 -1.008 3.869 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.476 -2.484 3.858 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.358 -0.306 3.178 1.00 0.00 C ATOM 0 H LEU A 16 2.259 -0.172 4.630 1.00 0.00 H new ATOM 0 HA LEU A 16 0.177 1.594 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.503 -1.231 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.047 -0.422 5.757 1.00 0.00 H new ATOM 0 HG LEU A 16 0.722 -0.803 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.581 -2.827 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.355 -3.007 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.395 -2.692 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.455 -0.682 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.282 -0.496 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.166 0.767 3.152 1.00 0.00 H new ATOM 264 N VAL A 17 1.193 0.760 7.813 1.00 0.00 N ATOM 265 CA VAL A 17 1.120 1.131 9.225 1.00 0.00 C ATOM 266 C VAL A 17 1.615 2.589 9.445 1.00 0.00 C ATOM 267 O VAL A 17 1.207 3.270 10.397 1.00 0.00 O ATOM 268 CB VAL A 17 1.931 0.126 10.093 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.945 0.507 11.568 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.400 -1.291 9.929 1.00 0.00 C ATOM 0 H VAL A 17 1.851 0.007 7.613 1.00 0.00 H new ATOM 0 HA VAL A 17 0.077 1.087 9.538 1.00 0.00 H new ATOM 0 HB VAL A 17 2.959 0.168 9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.524 -0.227 12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.397 1.492 11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.924 0.529 11.948 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.985 -1.973 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.356 -1.326 10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.479 -1.590 8.884 1.00 0.00 H new ATOM 280 N GLY A 18 2.412 3.077 8.522 1.00 0.00 N ATOM 281 CA GLY A 18 2.958 4.409 8.611 1.00 0.00 C ATOM 282 C GLY A 18 1.926 5.466 8.313 1.00 0.00 C ATOM 283 O GLY A 18 1.988 6.562 8.847 1.00 0.00 O ATOM 0 H GLY A 18 2.699 2.561 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.362 4.569 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.789 4.507 7.912 1.00 0.00 H new ATOM 287 N LEU A 19 0.960 5.137 7.478 1.00 0.00 N ATOM 288 CA LEU A 19 -0.072 6.103 7.108 1.00 0.00 C ATOM 289 C LEU A 19 -1.426 5.775 7.720 1.00 0.00 C ATOM 290 O LEU A 19 -2.446 6.316 7.282 1.00 0.00 O ATOM 291 CB LEU A 19 -0.206 6.261 5.577 1.00 0.00 C ATOM 292 CG LEU A 19 -0.388 4.982 4.761 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.144 5.254 3.497 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.937 4.432 4.382 1.00 0.00 C ATOM 0 H LEU A 19 0.862 4.219 7.043 1.00 0.00 H new ATOM 0 HA LEU A 19 0.260 7.055 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.055 6.914 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.683 6.773 5.210 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.942 4.275 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.259 4.327 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.128 5.656 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.596 5.978 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.800 3.520 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.478 5.166 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.508 4.205 5.282 1.00 0.00 H new ATOM 306 N SER A 20 -1.424 4.924 8.760 1.00 0.00 N ATOM 307 CA SER A 20 -2.653 4.488 9.465 1.00 0.00 C ATOM 308 C SER A 20 -3.522 3.603 8.566 1.00 0.00 C ATOM 309 O SER A 20 -4.710 3.441 8.779 1.00 0.00 O ATOM 310 CB SER A 20 -3.435 5.702 10.016 1.00 0.00 C ATOM 311 OG SER A 20 -2.595 6.501 10.858 1.00 0.00 O ATOM 0 H SER A 20 -0.571 4.515 9.140 1.00 0.00 H new ATOM 0 HA SER A 20 -2.357 3.880 10.320 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.811 6.305 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.302 5.358 10.579 1.00 0.00 H new ATOM 0 HG SER A 20 -3.105 7.266 11.197 1.00 0.00 H new ATOM 317 N LEU A 21 -2.874 2.971 7.620 1.00 0.00 N ATOM 318 CA LEU A 21 -3.497 2.058 6.666 1.00 0.00 C ATOM 319 C LEU A 21 -3.184 0.633 7.058 1.00 0.00 C ATOM 320 O LEU A 21 -3.343 -0.286 6.268 1.00 0.00 O ATOM 321 CB LEU A 21 -2.977 2.338 5.256 1.00 0.00 C ATOM 322 CG LEU A 21 -3.756 3.328 4.359 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.873 2.616 3.665 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.320 4.501 5.151 1.00 0.00 C ATOM 0 H LEU A 21 -1.869 3.073 7.480 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.577 2.207 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.956 2.709 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.924 1.386 4.728 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.051 3.726 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.417 3.320 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.466 1.816 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.551 2.193 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.858 5.169 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.002 4.129 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.504 5.045 5.626 1.00 0.00 H new ATOM 336 N ASP A 22 -2.736 0.457 8.303 1.00 0.00 N ATOM 337 CA ASP A 22 -2.466 -0.863 8.906 1.00 0.00 C ATOM 338 C ASP A 22 -3.659 -1.805 8.755 1.00 0.00 C ATOM 339 O ASP A 22 -3.499 -3.012 8.678 1.00 0.00 O ATOM 340 CB ASP A 22 -2.108 -0.713 10.397 1.00 0.00 C ATOM 341 CG ASP A 22 -3.235 -0.154 11.251 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.638 1.021 11.043 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.709 -0.860 12.169 1.00 0.00 O ATOM 0 H ASP A 22 -2.546 1.235 8.935 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.620 -1.297 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.817 -1.687 10.790 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.239 -0.061 10.488 1.00 0.00 H new ATOM 348 N GLN A 23 -4.831 -1.229 8.653 1.00 0.00 N ATOM 349 CA GLN A 23 -6.079 -1.950 8.472 1.00 0.00 C ATOM 350 C GLN A 23 -6.100 -2.701 7.111 1.00 0.00 C ATOM 351 O GLN A 23 -6.792 -3.705 6.948 1.00 0.00 O ATOM 352 CB GLN A 23 -7.216 -0.937 8.548 1.00 0.00 C ATOM 353 CG GLN A 23 -7.304 -0.027 7.331 1.00 0.00 C ATOM 354 CD GLN A 23 -7.906 1.301 7.643 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.120 1.460 7.632 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.066 2.276 7.864 1.00 0.00 N ATOM 0 H GLN A 23 -4.953 -0.217 8.694 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.190 -2.704 9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.160 -1.471 8.661 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.087 -0.325 9.440 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.305 0.120 6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.897 -0.517 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.062 2.094 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.414 3.219 8.037 1.00 0.00 H new ATOM 365 N TYR A 24 -5.299 -2.224 6.168 1.00 0.00 N ATOM 366 CA TYR A 24 -5.234 -2.797 4.839 1.00 0.00 C ATOM 367 C TYR A 24 -4.258 -3.956 4.785 1.00 0.00 C ATOM 368 O TYR A 24 -4.332 -4.791 3.883 1.00 0.00 O ATOM 369 CB TYR A 24 -4.859 -1.733 3.804 1.00 0.00 C ATOM 370 CG TYR A 24 -6.021 -1.198 2.971 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.870 -0.195 3.428 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.246 -1.703 1.702 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.904 0.276 2.620 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.269 -1.239 0.904 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.091 -0.258 1.356 1.00 0.00 C ATOM 376 OH TYR A 24 -9.116 0.197 0.536 1.00 0.00 O ATOM 0 H TYR A 24 -4.677 -1.428 6.307 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.225 -3.180 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.388 -0.897 4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.112 -2.152 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.727 0.221 4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.601 -2.483 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.558 1.056 2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.417 -1.656 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.285 -0.460 -0.172 1.00 0.00 H new ATOM 386 N VAL A 25 -3.361 -4.019 5.769 1.00 0.00 N ATOM 387 CA VAL A 25 -2.345 -5.094 5.856 1.00 0.00 C ATOM 388 C VAL A 25 -2.981 -6.485 5.802 1.00 0.00 C ATOM 389 O VAL A 25 -2.466 -7.369 5.115 1.00 0.00 O ATOM 390 CB VAL A 25 -1.414 -4.971 7.116 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.461 -6.136 7.218 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.663 -3.660 7.094 1.00 0.00 C ATOM 0 H VAL A 25 -3.309 -3.338 6.527 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.713 -4.964 4.977 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.049 -4.991 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.167 -6.016 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.028 -7.064 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.168 -6.171 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.023 -3.592 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.050 -3.607 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.374 -2.834 7.097 1.00 0.00 H new ATOM 402 N SER A 26 -4.136 -6.629 6.452 1.00 0.00 N ATOM 403 CA SER A 26 -4.878 -7.892 6.526 1.00 0.00 C ATOM 404 C SER A 26 -5.067 -8.530 5.125 1.00 0.00 C ATOM 405 O SER A 26 -4.917 -9.744 4.955 1.00 0.00 O ATOM 406 CB SER A 26 -6.250 -7.642 7.203 1.00 0.00 C ATOM 407 OG SER A 26 -6.964 -8.851 7.435 1.00 0.00 O ATOM 0 H SER A 26 -4.590 -5.863 6.949 1.00 0.00 H new ATOM 0 HA SER A 26 -4.300 -8.597 7.123 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.097 -7.125 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.849 -6.983 6.574 1.00 0.00 H new ATOM 0 HG SER A 26 -7.821 -8.647 7.864 1.00 0.00 H new ATOM 413 N GLU A 27 -5.328 -7.704 4.125 1.00 0.00 N ATOM 414 CA GLU A 27 -5.550 -8.203 2.786 1.00 0.00 C ATOM 415 C GLU A 27 -4.323 -7.954 1.901 1.00 0.00 C ATOM 416 O GLU A 27 -4.041 -8.735 1.011 1.00 0.00 O ATOM 417 CB GLU A 27 -6.807 -7.590 2.189 1.00 0.00 C ATOM 418 CG GLU A 27 -7.143 -8.035 0.761 1.00 0.00 C ATOM 419 CD GLU A 27 -7.594 -9.462 0.602 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.694 -9.788 1.074 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.927 -10.241 -0.109 1.00 0.00 O ATOM 0 H GLU A 27 -5.390 -6.690 4.218 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.701 -9.281 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.651 -7.833 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.701 -6.505 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.925 -7.383 0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.262 -7.882 0.138 1.00 0.00 H new ATOM 428 N PHE A 28 -3.571 -6.877 2.168 1.00 0.00 N ATOM 429 CA PHE A 28 -2.327 -6.591 1.418 1.00 0.00 C ATOM 430 C PHE A 28 -1.373 -7.777 1.507 1.00 0.00 C ATOM 431 O PHE A 28 -0.747 -8.176 0.521 1.00 0.00 O ATOM 432 CB PHE A 28 -1.639 -5.334 1.959 1.00 0.00 C ATOM 433 CG PHE A 28 -1.828 -4.086 1.129 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.053 -3.449 1.042 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.755 -3.545 0.439 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.195 -2.298 0.285 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.899 -2.394 -0.310 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.122 -1.776 -0.385 1.00 0.00 C ATOM 0 H PHE A 28 -3.794 -6.192 2.890 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.594 -6.420 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.011 -5.141 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.571 -5.534 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.905 -3.852 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.208 -4.031 0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.157 -1.810 0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.051 -1.981 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.238 -0.877 -0.973 1.00 0.00 H new ATOM 448 N SER A 29 -1.334 -8.368 2.681 1.00 0.00 N ATOM 449 CA SER A 29 -0.512 -9.511 2.946 1.00 0.00 C ATOM 450 C SER A 29 -1.155 -10.759 2.319 1.00 0.00 C ATOM 451 O SER A 29 -0.463 -11.656 1.845 1.00 0.00 O ATOM 452 CB SER A 29 -0.328 -9.673 4.479 1.00 0.00 C ATOM 453 OG SER A 29 0.507 -10.770 4.819 1.00 0.00 O ATOM 0 H SER A 29 -1.882 -8.058 3.484 1.00 0.00 H new ATOM 0 HA SER A 29 0.474 -9.378 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.098 -8.757 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.304 -9.807 4.946 1.00 0.00 H new ATOM 0 HG SER A 29 0.592 -10.827 5.794 1.00 0.00 H new ATOM 459 N ALA A 30 -2.480 -10.760 2.236 1.00 0.00 N ATOM 460 CA ALA A 30 -3.227 -11.899 1.736 1.00 0.00 C ATOM 461 C ALA A 30 -2.994 -12.092 0.263 1.00 0.00 C ATOM 462 O ALA A 30 -2.734 -13.195 -0.192 1.00 0.00 O ATOM 463 CB ALA A 30 -4.708 -11.743 2.020 1.00 0.00 C ATOM 0 H ALA A 30 -3.063 -9.970 2.514 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.868 -12.786 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.246 -12.610 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.866 -11.666 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.079 -10.841 1.533 1.00 0.00 H new ATOM 469 N GLN A 31 -3.045 -11.020 -0.472 1.00 0.00 N ATOM 470 CA GLN A 31 -2.856 -11.095 -1.912 1.00 0.00 C ATOM 471 C GLN A 31 -1.422 -10.831 -2.348 1.00 0.00 C ATOM 472 O GLN A 31 -1.150 -10.644 -3.539 1.00 0.00 O ATOM 473 CB GLN A 31 -3.890 -10.268 -2.683 1.00 0.00 C ATOM 474 CG GLN A 31 -4.320 -8.993 -2.013 1.00 0.00 C ATOM 475 CD GLN A 31 -5.425 -8.293 -2.782 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.176 -7.486 -3.673 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.648 -8.585 -2.441 1.00 0.00 N ATOM 0 H GLN A 31 -3.215 -10.081 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.043 -12.134 -2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.479 -10.024 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.772 -10.886 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.664 -9.212 -1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.463 -8.325 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.823 -9.260 -1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.431 -8.139 -2.919 1.00 0.00 H new ATOM 486 N ASN A 32 -0.502 -10.861 -1.367 1.00 0.00 N ATOM 487 CA ASN A 32 0.948 -10.757 -1.599 1.00 0.00 C ATOM 488 C ASN A 32 1.313 -9.476 -2.332 1.00 0.00 C ATOM 489 O ASN A 32 2.198 -9.469 -3.201 1.00 0.00 O ATOM 490 CB ASN A 32 1.484 -11.982 -2.379 1.00 0.00 C ATOM 491 CG ASN A 32 1.261 -13.324 -1.682 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.072 -13.762 -0.852 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.200 -14.006 -2.034 1.00 0.00 N ATOM 0 H ASN A 32 -0.748 -10.959 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 32 1.421 -10.734 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.005 -12.011 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.552 -11.849 -2.550 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.023 -14.923 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.450 -13.621 -2.719 1.00 0.00 H new ATOM 500 N ILE A 33 0.657 -8.395 -1.967 1.00 0.00 N ATOM 501 CA ILE A 33 0.898 -7.115 -2.588 1.00 0.00 C ATOM 502 C ILE A 33 2.281 -6.633 -2.193 1.00 0.00 C ATOM 503 O ILE A 33 2.551 -6.419 -1.027 1.00 0.00 O ATOM 504 CB ILE A 33 -0.162 -6.050 -2.157 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.588 -6.523 -2.486 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.110 -4.691 -2.820 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.862 -6.753 -3.964 1.00 0.00 C ATOM 0 H ILE A 33 -0.054 -8.381 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 33 0.824 -7.240 -3.668 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.078 -5.928 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.781 -7.451 -1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.296 -5.784 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.645 -3.972 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.098 -4.335 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.070 -4.800 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.892 -7.084 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.707 -5.823 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.184 -7.516 -4.345 1.00 0.00 H new ATOM 519 N SER A 34 3.151 -6.517 -3.149 1.00 0.00 N ATOM 520 CA SER A 34 4.465 -6.036 -2.889 1.00 0.00 C ATOM 521 C SER A 34 4.588 -4.640 -3.480 1.00 0.00 C ATOM 522 O SER A 34 3.584 -4.082 -3.952 1.00 0.00 O ATOM 523 CB SER A 34 5.504 -6.992 -3.488 1.00 0.00 C ATOM 524 OG SER A 34 5.454 -7.033 -4.908 1.00 0.00 O ATOM 0 H SER A 34 2.968 -6.753 -4.124 1.00 0.00 H new ATOM 0 HA SER A 34 4.649 -5.988 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.501 -6.684 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.340 -7.995 -3.093 1.00 0.00 H new ATOM 0 HG SER A 34 4.581 -7.372 -5.195 1.00 0.00 H new ATOM 530 N GLY A 35 5.802 -4.098 -3.517 1.00 0.00 N ATOM 531 CA GLY A 35 6.034 -2.766 -4.056 1.00 0.00 C ATOM 532 C GLY A 35 5.617 -2.678 -5.502 1.00 0.00 C ATOM 533 O GLY A 35 5.115 -1.647 -5.952 1.00 0.00 O ATOM 0 H GLY A 35 6.643 -4.565 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.479 -2.033 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.090 -2.514 -3.964 1.00 0.00 H new ATOM 537 N GLU A 36 5.781 -3.800 -6.191 1.00 0.00 N ATOM 538 CA GLU A 36 5.391 -3.995 -7.577 1.00 0.00 C ATOM 539 C GLU A 36 3.937 -3.551 -7.791 1.00 0.00 C ATOM 540 O GLU A 36 3.627 -2.827 -8.736 1.00 0.00 O ATOM 541 CB GLU A 36 5.545 -5.481 -7.908 1.00 0.00 C ATOM 542 CG GLU A 36 5.239 -5.869 -9.335 1.00 0.00 C ATOM 543 CD GLU A 36 5.270 -7.359 -9.518 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.347 -7.918 -9.790 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.212 -8.002 -9.360 1.00 0.00 O ATOM 0 H GLU A 36 6.207 -4.631 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 36 6.024 -3.396 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.568 -5.781 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.891 -6.051 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.257 -5.487 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.964 -5.404 -10.003 1.00 0.00 H new ATOM 552 N GLN A 37 3.058 -3.950 -6.882 1.00 0.00 N ATOM 553 CA GLN A 37 1.662 -3.587 -6.980 1.00 0.00 C ATOM 554 C GLN A 37 1.303 -2.376 -6.141 1.00 0.00 C ATOM 555 O GLN A 37 0.263 -1.784 -6.348 1.00 0.00 O ATOM 556 CB GLN A 37 0.685 -4.763 -6.725 1.00 0.00 C ATOM 557 CG GLN A 37 1.189 -5.906 -5.880 1.00 0.00 C ATOM 558 CD GLN A 37 2.215 -6.788 -6.546 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.043 -7.349 -5.876 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.175 -6.901 -7.848 1.00 0.00 N ATOM 0 H GLN A 37 3.292 -4.524 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 37 1.531 -3.306 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.211 -4.362 -6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.381 -5.165 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.621 -5.499 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.339 -6.522 -5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.457 -6.410 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.861 -7.481 -8.331 1.00 0.00 H new ATOM 569 N LEU A 38 2.182 -2.011 -5.231 1.00 0.00 N ATOM 570 CA LEU A 38 1.988 -0.878 -4.327 1.00 0.00 C ATOM 571 C LEU A 38 2.053 0.420 -5.142 1.00 0.00 C ATOM 572 O LEU A 38 1.137 1.231 -5.119 1.00 0.00 O ATOM 573 CB LEU A 38 3.127 -0.911 -3.276 1.00 0.00 C ATOM 574 CG LEU A 38 2.970 -0.133 -1.949 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.222 -0.281 -1.115 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.705 1.324 -2.169 1.00 0.00 C ATOM 0 H LEU A 38 3.068 -2.496 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 38 1.021 -0.931 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.304 -1.956 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.030 -0.544 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 38 2.110 -0.558 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.105 0.270 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.391 -1.335 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.075 0.116 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.603 1.825 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.535 1.765 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.784 1.444 -2.740 1.00 0.00 H new ATOM 588 N LEU A 39 3.124 0.563 -5.891 1.00 0.00 N ATOM 589 CA LEU A 39 3.393 1.764 -6.680 1.00 0.00 C ATOM 590 C LEU A 39 2.299 2.026 -7.711 1.00 0.00 C ATOM 591 O LEU A 39 1.933 3.165 -7.977 1.00 0.00 O ATOM 592 CB LEU A 39 4.730 1.594 -7.388 1.00 0.00 C ATOM 593 CG LEU A 39 5.950 1.458 -6.483 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.117 0.875 -7.268 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.320 2.822 -5.895 1.00 0.00 C ATOM 0 H LEU A 39 3.845 -0.153 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 39 3.419 2.619 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.673 0.710 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.883 2.450 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 39 5.714 0.781 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.984 0.781 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.843 -0.108 -7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.360 1.534 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.192 2.716 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.549 3.517 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.483 3.206 -5.312 1.00 0.00 H new ATOM 607 N GLN A 40 1.776 0.967 -8.266 1.00 0.00 N ATOM 608 CA GLN A 40 0.782 1.079 -9.332 1.00 0.00 C ATOM 609 C GLN A 40 -0.688 0.950 -8.835 1.00 0.00 C ATOM 610 O GLN A 40 -1.604 0.863 -9.646 1.00 0.00 O ATOM 611 CB GLN A 40 1.122 0.082 -10.469 1.00 0.00 C ATOM 612 CG GLN A 40 1.043 -1.396 -10.092 1.00 0.00 C ATOM 613 CD GLN A 40 -0.315 -2.010 -10.357 1.00 0.00 C ATOM 614 OE1 GLN A 40 -1.008 -1.627 -11.273 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.709 -2.951 -9.556 1.00 0.00 N ATOM 0 H GLN A 40 2.013 0.009 -8.007 1.00 0.00 H new ATOM 0 HA GLN A 40 0.838 2.092 -9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.444 0.263 -11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.130 0.295 -10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.799 -1.947 -10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.284 -1.508 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.106 -3.256 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.622 -3.386 -9.690 1.00 0.00 H new ATOM 624 N LEU A 41 -0.895 0.973 -7.514 1.00 0.00 N ATOM 625 CA LEU A 41 -2.234 0.876 -6.912 1.00 0.00 C ATOM 626 C LEU A 41 -3.223 1.918 -7.435 1.00 0.00 C ATOM 627 O LEU A 41 -2.918 3.119 -7.535 1.00 0.00 O ATOM 628 CB LEU A 41 -2.161 1.038 -5.418 1.00 0.00 C ATOM 629 CG LEU A 41 -1.693 -0.139 -4.608 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.480 0.303 -3.208 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.718 -1.257 -4.639 1.00 0.00 C ATOM 0 H LEU A 41 -0.142 1.059 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.595 -0.114 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.499 1.877 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.153 1.316 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.763 -0.518 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.140 -0.541 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.727 1.091 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.416 0.684 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.357 -2.098 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.660 -0.898 -4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.874 -1.579 -5.669 1.00 0.00 H new ATOM 643 N ASP A 42 -4.409 1.466 -7.707 1.00 0.00 N ATOM 644 CA ASP A 42 -5.487 2.316 -8.153 1.00 0.00 C ATOM 645 C ASP A 42 -6.712 1.923 -7.369 1.00 0.00 C ATOM 646 O ASP A 42 -6.625 1.032 -6.504 1.00 0.00 O ATOM 647 CB ASP A 42 -5.757 2.179 -9.672 1.00 0.00 C ATOM 648 CG ASP A 42 -6.472 0.899 -10.050 1.00 0.00 C ATOM 649 OD1 ASP A 42 -5.842 -0.156 -10.074 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.697 0.944 -10.331 1.00 0.00 O ATOM 0 H ASP A 42 -4.666 0.482 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.219 3.359 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.353 3.029 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.808 2.226 -10.206 1.00 0.00 H new ATOM 655 N GLY A 43 -7.835 2.554 -7.657 1.00 0.00 N ATOM 656 CA GLY A 43 -9.050 2.277 -6.943 1.00 0.00 C ATOM 657 C GLY A 43 -9.471 0.844 -7.020 1.00 0.00 C ATOM 658 O GLY A 43 -9.835 0.281 -6.012 1.00 0.00 O ATOM 0 H GLY A 43 -7.923 3.263 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.919 2.554 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.848 2.904 -7.341 1.00 0.00 H new ATOM 662 N ASN A 44 -9.362 0.231 -8.195 1.00 0.00 N ATOM 663 CA ASN A 44 -9.792 -1.153 -8.367 1.00 0.00 C ATOM 664 C ASN A 44 -9.023 -2.090 -7.527 1.00 0.00 C ATOM 665 O ASN A 44 -9.578 -3.033 -6.989 1.00 0.00 O ATOM 666 CB ASN A 44 -9.798 -1.602 -9.804 1.00 0.00 C ATOM 667 CG ASN A 44 -11.083 -1.239 -10.517 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.202 -0.166 -11.109 1.00 0.00 O ATOM 669 ND2 ASN A 44 -12.068 -2.099 -10.446 1.00 0.00 N ATOM 0 H ASN A 44 -8.983 0.666 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.827 -1.172 -8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.955 -1.149 -10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.656 -2.682 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.963 -1.887 -10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.941 -2.980 -9.949 1.00 0.00 H new ATOM 676 N LYS A 45 -7.758 -1.829 -7.387 1.00 0.00 N ATOM 677 CA LYS A 45 -6.945 -2.620 -6.509 1.00 0.00 C ATOM 678 C LYS A 45 -7.431 -2.466 -5.082 1.00 0.00 C ATOM 679 O LYS A 45 -7.733 -3.434 -4.440 1.00 0.00 O ATOM 680 CB LYS A 45 -5.470 -2.265 -6.620 1.00 0.00 C ATOM 681 CG LYS A 45 -4.964 -2.319 -8.037 1.00 0.00 C ATOM 682 CD LYS A 45 -3.547 -2.853 -8.134 1.00 0.00 C ATOM 683 CE LYS A 45 -3.421 -4.295 -7.629 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.324 -5.234 -8.349 1.00 0.00 N ATOM 0 H LYS A 45 -7.266 -1.076 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.042 -3.663 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.310 -1.264 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.888 -2.951 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.626 -2.949 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.001 -1.319 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.216 -2.806 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.881 -2.211 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.390 -4.628 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.648 -4.324 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.094 -6.212 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.312 -5.029 -8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.198 -5.119 -9.375 1.00 0.00 H new ATOM 698 N LEU A 46 -7.615 -1.227 -4.648 1.00 0.00 N ATOM 699 CA LEU A 46 -8.083 -0.914 -3.280 1.00 0.00 C ATOM 700 C LEU A 46 -9.474 -1.507 -3.005 1.00 0.00 C ATOM 701 O LEU A 46 -9.881 -1.706 -1.828 1.00 0.00 O ATOM 702 CB LEU A 46 -8.119 0.596 -3.092 1.00 0.00 C ATOM 703 CG LEU A 46 -6.776 1.320 -3.276 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.939 2.818 -3.139 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.724 0.797 -2.305 1.00 0.00 C ATOM 0 H LEU A 46 -7.448 -0.402 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.386 -1.363 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.837 1.015 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.493 0.811 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.428 1.110 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.972 3.303 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.635 3.179 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.327 3.053 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.787 1.330 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.064 0.954 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.568 -0.268 -2.476 1.00 0.00 H new ATOM 717 N LYS A 47 -10.194 -1.757 -4.077 1.00 0.00 N ATOM 718 CA LYS A 47 -11.487 -2.373 -4.033 1.00 0.00 C ATOM 719 C LYS A 47 -11.339 -3.891 -3.951 1.00 0.00 C ATOM 720 O LYS A 47 -12.001 -4.543 -3.151 1.00 0.00 O ATOM 721 CB LYS A 47 -12.316 -1.933 -5.246 1.00 0.00 C ATOM 722 CG LYS A 47 -12.639 -0.439 -5.237 1.00 0.00 C ATOM 723 CD LYS A 47 -13.166 0.067 -6.579 1.00 0.00 C ATOM 724 CE LYS A 47 -14.493 -0.566 -6.962 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.036 0.011 -8.214 1.00 0.00 N ATOM 0 H LYS A 47 -9.883 -1.529 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.021 -2.051 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.772 -2.176 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.246 -2.500 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.380 -0.238 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.741 0.119 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.284 1.150 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.431 -0.142 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.361 -1.641 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.211 -0.423 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.942 -0.446 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.185 1.033 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.362 -0.148 -8.990 1.00 0.00 H new ATOM 739 N ALA A 48 -10.403 -4.431 -4.722 1.00 0.00 N ATOM 740 CA ALA A 48 -10.096 -5.866 -4.725 1.00 0.00 C ATOM 741 C ALA A 48 -9.386 -6.273 -3.430 1.00 0.00 C ATOM 742 O ALA A 48 -9.214 -7.455 -3.134 1.00 0.00 O ATOM 743 CB ALA A 48 -9.253 -6.229 -5.936 1.00 0.00 C ATOM 0 H ALA A 48 -9.830 -3.888 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.035 -6.416 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.035 -7.297 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.799 -5.983 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.319 -5.668 -5.910 1.00 0.00 H new ATOM 749 N LEU A 49 -8.969 -5.276 -2.663 1.00 0.00 N ATOM 750 CA LEU A 49 -8.429 -5.478 -1.343 1.00 0.00 C ATOM 751 C LEU A 49 -9.584 -5.750 -0.366 1.00 0.00 C ATOM 752 O LEU A 49 -9.375 -5.954 0.818 1.00 0.00 O ATOM 753 CB LEU A 49 -7.601 -4.253 -0.868 1.00 0.00 C ATOM 754 CG LEU A 49 -6.055 -4.244 -1.101 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.394 -5.395 -0.422 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.669 -4.240 -2.550 1.00 0.00 C ATOM 0 H LEU A 49 -9.000 -4.298 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.754 -6.334 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.012 -3.369 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.773 -4.135 0.202 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.707 -3.308 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.320 -5.357 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.582 -5.341 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.796 -6.329 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.583 -4.234 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.067 -5.131 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.077 -3.352 -3.033 1.00 0.00 H new ATOM 768 N GLY A 50 -10.812 -5.683 -0.874 1.00 0.00 N ATOM 769 CA GLY A 50 -11.995 -6.005 -0.100 1.00 0.00 C ATOM 770 C GLY A 50 -12.334 -4.971 0.941 1.00 0.00 C ATOM 771 O GLY A 50 -13.300 -5.125 1.689 1.00 0.00 O ATOM 0 H GLY A 50 -11.009 -5.403 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.842 -6.118 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.847 -6.967 0.390 1.00 0.00 H new ATOM 775 N MET A 51 -11.564 -3.918 0.994 1.00 0.00 N ATOM 776 CA MET A 51 -11.785 -2.902 1.995 1.00 0.00 C ATOM 777 C MET A 51 -12.702 -1.824 1.458 1.00 0.00 C ATOM 778 O MET A 51 -13.690 -1.483 2.081 1.00 0.00 O ATOM 779 CB MET A 51 -10.474 -2.319 2.471 1.00 0.00 C ATOM 780 CG MET A 51 -10.622 -1.360 3.642 1.00 0.00 C ATOM 781 SD MET A 51 -11.318 -2.138 5.100 1.00 0.00 S ATOM 782 CE MET A 51 -11.354 -0.746 6.222 1.00 0.00 C ATOM 0 H MET A 51 -10.783 -3.739 0.363 1.00 0.00 H new ATOM 0 HA MET A 51 -12.271 -3.364 2.855 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.808 -3.132 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.997 -1.796 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.645 -0.944 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.257 -0.526 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.397 -1.108 7.249 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.454 -0.146 6.086 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.232 -0.135 6.015 1.00 0.00 H new ATOM 792 N THR A 52 -12.361 -1.302 0.268 1.00 0.00 N ATOM 793 CA THR A 52 -13.159 -0.294 -0.481 1.00 0.00 C ATOM 794 C THR A 52 -13.509 0.970 0.351 1.00 0.00 C ATOM 795 O THR A 52 -14.390 1.742 -0.025 1.00 0.00 O ATOM 796 CB THR A 52 -14.476 -0.931 -1.032 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.357 -1.356 0.027 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.171 -2.125 -1.901 1.00 0.00 C ATOM 0 H THR A 52 -11.505 -1.570 -0.218 1.00 0.00 H new ATOM 0 HA THR A 52 -12.522 0.031 -1.304 1.00 0.00 H new ATOM 0 HB THR A 52 -14.971 -0.155 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.976 -1.099 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.102 -2.552 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.553 -1.814 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.637 -2.874 -1.316 1.00 0.00 H new ATOM 806 N SER A 53 -12.763 1.201 1.403 1.00 0.00 N ATOM 807 CA SER A 53 -13.057 2.233 2.363 1.00 0.00 C ATOM 808 C SER A 53 -12.865 3.625 1.764 1.00 0.00 C ATOM 809 O SER A 53 -11.822 3.916 1.169 1.00 0.00 O ATOM 810 CB SER A 53 -12.186 2.005 3.588 1.00 0.00 C ATOM 811 OG SER A 53 -12.407 2.948 4.613 1.00 0.00 O ATOM 0 H SER A 53 -11.921 0.668 1.619 1.00 0.00 H new ATOM 0 HA SER A 53 -14.105 2.181 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.374 1.004 3.978 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.138 2.040 3.291 1.00 0.00 H new ATOM 0 HG SER A 53 -11.587 3.462 4.767 1.00 0.00 H new ATOM 817 N SER A 54 -13.876 4.462 1.944 1.00 0.00 N ATOM 818 CA SER A 54 -13.950 5.797 1.384 1.00 0.00 C ATOM 819 C SER A 54 -12.739 6.651 1.793 1.00 0.00 C ATOM 820 O SER A 54 -12.108 7.295 0.932 1.00 0.00 O ATOM 821 CB SER A 54 -15.278 6.452 1.814 1.00 0.00 C ATOM 822 OG SER A 54 -15.473 7.724 1.221 1.00 0.00 O ATOM 0 H SER A 54 -14.694 4.219 2.503 1.00 0.00 H new ATOM 0 HA SER A 54 -13.924 5.728 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.107 5.798 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.294 6.554 2.899 1.00 0.00 H new ATOM 0 HG SER A 54 -16.327 8.098 1.522 1.00 0.00 H new ATOM 828 N GLN A 55 -12.414 6.633 3.088 1.00 0.00 N ATOM 829 CA GLN A 55 -11.258 7.350 3.633 1.00 0.00 C ATOM 830 C GLN A 55 -10.002 6.968 2.890 1.00 0.00 C ATOM 831 O GLN A 55 -9.318 7.799 2.284 1.00 0.00 O ATOM 832 CB GLN A 55 -11.037 6.940 5.095 1.00 0.00 C ATOM 833 CG GLN A 55 -9.722 7.457 5.669 1.00 0.00 C ATOM 834 CD GLN A 55 -9.325 6.783 6.952 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.683 7.236 8.036 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.590 5.693 6.852 1.00 0.00 N ATOM 0 H GLN A 55 -12.946 6.119 3.790 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.457 8.418 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.863 7.314 5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.056 5.853 5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.931 7.314 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.806 8.530 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.312 5.348 5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.299 5.195 7.693 1.00 0.00 H new ATOM 845 N ASP A 56 -9.747 5.698 2.927 1.00 0.00 N ATOM 846 CA ASP A 56 -8.543 5.110 2.452 1.00 0.00 C ATOM 847 C ASP A 56 -8.397 5.327 0.988 1.00 0.00 C ATOM 848 O ASP A 56 -7.344 5.718 0.536 1.00 0.00 O ATOM 849 CB ASP A 56 -8.534 3.645 2.826 1.00 0.00 C ATOM 850 CG ASP A 56 -8.707 3.496 4.323 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.869 3.431 4.782 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.728 3.536 5.051 1.00 0.00 O ATOM 0 H ASP A 56 -10.404 5.016 3.307 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.681 5.585 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.336 3.122 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.597 3.186 2.512 1.00 0.00 H new ATOM 857 N ARG A 57 -9.497 5.194 0.265 1.00 0.00 N ATOM 858 CA ARG A 57 -9.547 5.404 -1.184 1.00 0.00 C ATOM 859 C ARG A 57 -9.008 6.762 -1.617 1.00 0.00 C ATOM 860 O ARG A 57 -8.521 6.900 -2.725 1.00 0.00 O ATOM 861 CB ARG A 57 -10.972 5.201 -1.710 1.00 0.00 C ATOM 862 CG ARG A 57 -11.336 3.744 -1.933 1.00 0.00 C ATOM 863 CD ARG A 57 -10.660 3.213 -3.186 1.00 0.00 C ATOM 864 NE ARG A 57 -11.264 3.779 -4.400 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.717 4.694 -5.229 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.541 5.261 -4.952 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.381 5.066 -6.311 1.00 0.00 N ATOM 0 H ARG A 57 -10.397 4.933 0.668 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.888 4.656 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.677 5.639 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.084 5.743 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.033 3.151 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.417 3.643 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.598 3.455 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.738 2.126 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.197 3.445 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.039 5.005 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.144 5.950 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.296 4.663 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.978 5.756 -6.945 1.00 0.00 H new ATOM 881 N ALA A 58 -9.072 7.736 -0.741 1.00 0.00 N ATOM 882 CA ALA A 58 -8.582 9.059 -1.057 1.00 0.00 C ATOM 883 C ALA A 58 -7.242 9.340 -0.371 1.00 0.00 C ATOM 884 O ALA A 58 -6.528 10.266 -0.752 1.00 0.00 O ATOM 885 CB ALA A 58 -9.610 10.105 -0.658 1.00 0.00 C ATOM 0 H ALA A 58 -9.459 7.639 0.198 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.419 9.109 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.231 11.098 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.538 9.928 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.798 10.040 0.414 1.00 0.00 H new ATOM 891 N LEU A 59 -6.890 8.527 0.602 1.00 0.00 N ATOM 892 CA LEU A 59 -5.689 8.757 1.396 1.00 0.00 C ATOM 893 C LEU A 59 -4.528 7.955 0.880 1.00 0.00 C ATOM 894 O LEU A 59 -3.478 8.524 0.539 1.00 0.00 O ATOM 895 CB LEU A 59 -5.936 8.443 2.890 1.00 0.00 C ATOM 896 CG LEU A 59 -4.785 8.765 3.893 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.604 7.823 3.818 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.349 10.212 3.797 1.00 0.00 C ATOM 0 H LEU A 59 -7.417 7.695 0.868 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.440 9.814 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.822 8.992 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.171 7.382 2.977 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.217 8.600 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.853 8.122 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.935 6.807 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.172 7.860 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.546 10.398 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.993 10.418 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.194 10.862 4.024 1.00 0.00 H new ATOM 910 N VAL A 60 -4.685 6.625 0.850 1.00 0.00 N ATOM 911 CA VAL A 60 -3.612 5.740 0.431 1.00 0.00 C ATOM 912 C VAL A 60 -3.139 6.088 -0.981 1.00 0.00 C ATOM 913 O VAL A 60 -1.970 5.955 -1.298 1.00 0.00 O ATOM 914 CB VAL A 60 -3.966 4.207 0.580 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.240 3.840 -0.114 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.870 3.361 0.041 1.00 0.00 C ATOM 0 H VAL A 60 -5.547 6.147 1.112 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.782 5.909 1.117 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.094 4.027 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.434 2.776 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.063 4.416 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.151 4.061 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.133 2.309 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.721 3.587 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.950 3.565 0.589 1.00 0.00 H new ATOM 926 N LYS A 61 -4.038 6.662 -1.756 1.00 0.00 N ATOM 927 CA LYS A 61 -3.763 7.072 -3.128 1.00 0.00 C ATOM 928 C LYS A 61 -2.681 8.123 -3.194 1.00 0.00 C ATOM 929 O LYS A 61 -1.898 8.159 -4.132 1.00 0.00 O ATOM 930 CB LYS A 61 -5.029 7.560 -3.821 1.00 0.00 C ATOM 931 CG LYS A 61 -5.917 6.451 -4.373 1.00 0.00 C ATOM 932 CD LYS A 61 -5.197 5.610 -5.432 1.00 0.00 C ATOM 933 CE LYS A 61 -4.642 6.470 -6.559 1.00 0.00 C ATOM 934 NZ LYS A 61 -4.038 5.668 -7.639 1.00 0.00 N ATOM 0 H LYS A 61 -4.991 6.861 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.400 6.191 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.609 8.154 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.747 8.223 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.240 5.806 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.815 6.889 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.383 5.056 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.888 4.875 -5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.443 7.083 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.894 7.152 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.229 6.182 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.714 4.757 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.745 5.498 -8.382 1.00 0.00 H new ATOM 948 N LYS A 62 -2.605 8.917 -2.169 1.00 0.00 N ATOM 949 CA LYS A 62 -1.621 9.962 -2.090 1.00 0.00 C ATOM 950 C LYS A 62 -0.301 9.366 -1.682 1.00 0.00 C ATOM 951 O LYS A 62 0.737 9.609 -2.290 1.00 0.00 O ATOM 952 CB LYS A 62 -2.054 11.014 -1.068 1.00 0.00 C ATOM 953 CG LYS A 62 -1.004 12.080 -0.790 1.00 0.00 C ATOM 954 CD LYS A 62 -1.466 13.090 0.251 1.00 0.00 C ATOM 955 CE LYS A 62 -2.678 13.888 -0.207 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.196 14.777 0.860 1.00 0.00 N ATOM 0 H LYS A 62 -3.224 8.861 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.521 10.441 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.963 11.499 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.305 10.514 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.087 11.602 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.764 12.601 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.708 12.568 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.648 13.775 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.410 14.486 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.465 13.203 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.021 15.301 0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.477 14.205 1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.454 15.449 1.143 1.00 0.00 H new ATOM 970 N LYS A 63 -0.385 8.516 -0.709 1.00 0.00 N ATOM 971 CA LYS A 63 0.769 7.930 -0.099 1.00 0.00 C ATOM 972 C LYS A 63 1.470 6.938 -1.017 1.00 0.00 C ATOM 973 O LYS A 63 2.684 6.769 -0.948 1.00 0.00 O ATOM 974 CB LYS A 63 0.390 7.264 1.198 1.00 0.00 C ATOM 975 CG LYS A 63 1.116 7.825 2.409 1.00 0.00 C ATOM 976 CD LYS A 63 0.740 9.272 2.715 1.00 0.00 C ATOM 977 CE LYS A 63 -0.719 9.451 3.168 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.953 10.851 3.622 1.00 0.00 N ATOM 0 H LYS A 63 -1.270 8.204 -0.309 1.00 0.00 H new ATOM 0 HA LYS A 63 1.474 8.737 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.684 7.369 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.599 6.197 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.892 7.206 3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.191 7.763 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.402 9.653 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.912 9.878 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.394 9.211 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.943 8.757 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.384 10.842 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.047 11.360 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.592 11.330 2.955 1.00 0.00 H new ATOM 992 N LEU A 64 0.709 6.274 -1.854 1.00 0.00 N ATOM 993 CA LEU A 64 1.274 5.322 -2.770 1.00 0.00 C ATOM 994 C LEU A 64 1.988 6.000 -3.927 1.00 0.00 C ATOM 995 O LEU A 64 2.985 5.499 -4.422 1.00 0.00 O ATOM 996 CB LEU A 64 0.211 4.313 -3.225 1.00 0.00 C ATOM 997 CG LEU A 64 -0.927 4.797 -4.135 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.547 4.787 -5.615 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.170 3.988 -3.879 1.00 0.00 C ATOM 0 H LEU A 64 -0.304 6.378 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 64 2.044 4.758 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.725 3.503 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.241 3.884 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.126 5.839 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.390 5.139 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.309 5.443 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.288 3.772 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.972 4.338 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.969 2.937 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.471 4.103 -2.838 1.00 0.00 H new ATOM 1011 N LYS A 65 1.508 7.155 -4.335 1.00 0.00 N ATOM 1012 CA LYS A 65 2.153 7.849 -5.441 1.00 0.00 C ATOM 1013 C LYS A 65 3.401 8.599 -4.966 1.00 0.00 C ATOM 1014 O LYS A 65 4.370 8.759 -5.712 1.00 0.00 O ATOM 1015 CB LYS A 65 1.192 8.780 -6.188 1.00 0.00 C ATOM 1016 CG LYS A 65 0.632 9.913 -5.359 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.307 10.772 -6.185 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.834 11.962 -5.402 1.00 0.00 C ATOM 1019 NZ LYS A 65 -1.716 12.801 -6.227 1.00 0.00 N ATOM 0 H LYS A 65 0.697 7.627 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 65 2.466 7.087 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.712 9.201 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.363 8.188 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.100 9.510 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.447 10.525 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.215 11.126 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.145 10.165 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.379 11.610 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.002 12.559 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.059 13.604 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.188 13.156 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.526 12.237 -6.553 1.00 0.00 H new ATOM 1033 N GLU A 66 3.396 9.025 -3.710 1.00 0.00 N ATOM 1034 CA GLU A 66 4.545 9.729 -3.142 1.00 0.00 C ATOM 1035 C GLU A 66 5.577 8.726 -2.644 1.00 0.00 C ATOM 1036 O GLU A 66 6.665 9.114 -2.188 1.00 0.00 O ATOM 1037 CB GLU A 66 4.125 10.613 -1.983 1.00 0.00 C ATOM 1038 CG GLU A 66 3.598 9.822 -0.822 1.00 0.00 C ATOM 1039 CD GLU A 66 3.235 10.664 0.360 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.144 11.270 0.368 1.00 0.00 O ATOM 1041 OE2 GLU A 66 4.038 10.727 1.309 1.00 0.00 O ATOM 0 H GLU A 66 2.615 8.898 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 66 4.975 10.351 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.977 11.209 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.359 11.311 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.719 9.263 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.348 9.091 -0.520 1.00 0.00 H new