USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot -100:sc= 1.79 USER MOD Set 1.2: A 63 TYR OH : rot -73:sc= 0.645 USER MOD Single : A 2 GLN : amide:sc= -3.27! K(o=-3.3!,f=-1.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -170:sc= -11! (180deg=-11.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -60:sc= -9.84! USER MOD Single : A 12 ASN : amide:sc= -3.71! C(o=-3.7!,f=-12!) USER MOD Single : A 13 HIS : no HD1:sc= -0.457 K(o=-0.46,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0041 (180deg=-0.116) USER MOD Single : A 34 GLN : amide:sc= -0.321 K(o=-0.32,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0387) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -109:sc= -3.42! USER MOD Single : A 56 GLN : amide:sc= -0.087 X(o=-0.087,f=0.093) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.690 -4.665 -3.953 1.00 0.00 N ATOM 12 CA GLN A 2 -7.526 -3.691 -3.273 1.00 0.00 C ATOM 13 C GLN A 2 -6.784 -2.361 -3.129 1.00 0.00 C ATOM 14 O GLN A 2 -5.555 -2.333 -3.092 1.00 0.00 O ATOM 15 CB GLN A 2 -7.980 -4.216 -1.909 1.00 0.00 C ATOM 16 CG GLN A 2 -9.382 -4.822 -1.993 1.00 0.00 C ATOM 17 CD GLN A 2 -10.147 -4.618 -0.684 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.917 -5.285 0.311 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.068 -3.659 -0.740 1.00 0.00 N ATOM 0 HA GLN A 2 -8.418 -3.523 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.276 -4.968 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.974 -3.403 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.932 -4.363 -2.815 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.309 -5.887 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.210 -3.138 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.632 -3.445 0.082 1.00 0.00 H new ATOM 28 N GLU A 3 -7.562 -1.291 -3.052 1.00 0.00 N ATOM 29 CA GLU A 3 -6.993 0.039 -2.913 1.00 0.00 C ATOM 30 C GLU A 3 -7.192 0.555 -1.487 1.00 0.00 C ATOM 31 O GLU A 3 -7.938 -0.036 -0.707 1.00 0.00 O ATOM 32 CB GLU A 3 -7.600 1.003 -3.934 1.00 0.00 C ATOM 33 CG GLU A 3 -9.123 1.053 -3.804 1.00 0.00 C ATOM 34 CD GLU A 3 -9.726 2.053 -4.794 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.054 3.076 -5.047 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.844 1.771 -5.274 1.00 0.00 O ATOM 0 H GLU A 3 -8.581 -1.318 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.923 -0.022 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.186 2.001 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.328 0.689 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.540 0.062 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.396 1.334 -2.787 1.00 0.00 H new ATOM 43 N PHE A 4 -6.511 1.651 -1.188 1.00 0.00 N ATOM 44 CA PHE A 4 -6.603 2.253 0.131 1.00 0.00 C ATOM 45 C PHE A 4 -6.512 3.778 0.046 1.00 0.00 C ATOM 46 O PHE A 4 -5.638 4.314 -0.633 1.00 0.00 O ATOM 47 CB PHE A 4 -5.419 1.729 0.946 1.00 0.00 C ATOM 48 CG PHE A 4 -4.947 0.334 0.530 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.229 0.172 -0.613 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.245 -0.744 1.304 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.790 -1.123 -0.999 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.807 -2.038 0.919 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.089 -2.200 -0.225 1.00 0.00 C ATOM 0 H PHE A 4 -5.893 2.138 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.558 1.998 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.587 2.427 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.697 1.708 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.992 1.028 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.815 -0.615 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.219 -1.252 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.044 -2.894 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.756 -3.185 -0.519 1.00 0.00 H new ATOM 63 N SER A 5 -7.428 4.434 0.744 1.00 0.00 N ATOM 64 CA SER A 5 -7.462 5.886 0.755 1.00 0.00 C ATOM 65 C SER A 5 -6.508 6.424 1.823 1.00 0.00 C ATOM 66 O SER A 5 -6.542 5.983 2.971 1.00 0.00 O ATOM 67 CB SER A 5 -8.881 6.402 1.003 1.00 0.00 C ATOM 68 OG SER A 5 -8.883 7.706 1.578 1.00 0.00 O ATOM 0 H SER A 5 -8.152 3.986 1.306 1.00 0.00 H new ATOM 0 HA SER A 5 -7.140 6.243 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.430 6.420 0.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.407 5.713 1.665 1.00 0.00 H new ATOM 0 HG SER A 5 -9.807 8.000 1.719 1.00 0.00 H new ATOM 74 N VAL A 6 -5.677 7.369 1.407 1.00 0.00 N ATOM 75 CA VAL A 6 -4.715 7.972 2.314 1.00 0.00 C ATOM 76 C VAL A 6 -5.204 9.364 2.719 1.00 0.00 C ATOM 77 O VAL A 6 -5.471 10.205 1.862 1.00 0.00 O ATOM 78 CB VAL A 6 -3.328 7.990 1.669 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.277 8.528 2.642 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.942 6.599 1.160 1.00 0.00 C ATOM 0 H VAL A 6 -5.650 7.732 0.454 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.628 7.381 3.226 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.366 8.662 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.300 8.530 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.539 9.545 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.242 7.893 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.952 6.639 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.931 5.897 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.668 6.269 0.417 1.00 0.00 H new ATOM 90 N LYS A 7 -5.307 9.564 4.024 1.00 0.00 N ATOM 91 CA LYS A 7 -5.759 10.839 4.553 1.00 0.00 C ATOM 92 C LYS A 7 -4.725 11.369 5.549 1.00 0.00 C ATOM 93 O LYS A 7 -5.082 11.843 6.626 1.00 0.00 O ATOM 94 CB LYS A 7 -7.166 10.708 5.139 1.00 0.00 C ATOM 95 CG LYS A 7 -8.221 10.674 4.031 1.00 0.00 C ATOM 96 CD LYS A 7 -9.409 11.574 4.377 1.00 0.00 C ATOM 97 CE LYS A 7 -9.056 13.049 4.175 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.266 13.893 4.298 1.00 0.00 N ATOM 0 H LYS A 7 -5.085 8.864 4.732 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.839 11.576 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.232 9.799 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.364 11.545 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.776 10.999 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.566 9.651 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.263 11.312 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.708 11.406 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.315 13.356 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.605 13.190 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.009 14.891 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.961 13.610 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.679 13.771 5.245 1.00 0.00 H new ATOM 112 N GLY A 8 -3.465 11.271 5.152 1.00 0.00 N ATOM 113 CA GLY A 8 -2.377 11.735 5.997 1.00 0.00 C ATOM 114 C GLY A 8 -1.103 11.953 5.178 1.00 0.00 C ATOM 115 O GLY A 8 0.000 11.936 5.724 1.00 0.00 O ATOM 0 H GLY A 8 -3.173 10.878 4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.663 12.666 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.187 11.006 6.785 1.00 0.00 H new ATOM 119 N MET A 9 -1.296 12.153 3.883 1.00 0.00 N ATOM 120 CA MET A 9 -0.176 12.374 2.984 1.00 0.00 C ATOM 121 C MET A 9 0.375 13.793 3.134 1.00 0.00 C ATOM 122 O MET A 9 -0.333 14.694 3.581 1.00 0.00 O ATOM 123 CB MET A 9 -0.629 12.151 1.540 1.00 0.00 C ATOM 124 CG MET A 9 0.221 11.077 0.858 1.00 0.00 C ATOM 125 SD MET A 9 0.633 11.587 -0.802 1.00 0.00 S ATOM 126 CE MET A 9 2.414 11.615 -0.685 1.00 0.00 C ATOM 0 H MET A 9 -2.212 12.167 3.434 1.00 0.00 H new ATOM 0 HA MET A 9 0.615 11.669 3.238 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.677 11.853 1.526 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.556 13.085 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.132 10.905 1.431 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.323 10.133 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.830 12.082 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.712 12.185 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.789 10.595 -0.601 1.00 0.00 H new ATOM 136 N SER A 10 1.634 13.948 2.752 1.00 0.00 N ATOM 137 CA SER A 10 2.288 15.243 2.838 1.00 0.00 C ATOM 138 C SER A 10 2.689 15.720 1.441 1.00 0.00 C ATOM 139 O SER A 10 2.624 16.913 1.146 1.00 0.00 O ATOM 140 CB SER A 10 3.515 15.180 3.749 1.00 0.00 C ATOM 141 OG SER A 10 3.157 15.189 5.129 1.00 0.00 O ATOM 0 H SER A 10 2.219 13.198 2.382 1.00 0.00 H new ATOM 0 HA SER A 10 1.584 15.954 3.270 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.084 14.277 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.167 16.028 3.538 1.00 0.00 H new ATOM 0 HG SER A 10 3.968 15.146 5.678 1.00 0.00 H new ATOM 147 N CYS A 11 3.095 14.765 0.617 1.00 0.00 N ATOM 148 CA CYS A 11 3.507 15.073 -0.742 1.00 0.00 C ATOM 149 C CYS A 11 4.976 15.499 -0.714 1.00 0.00 C ATOM 150 O CYS A 11 5.285 16.684 -0.832 1.00 0.00 O ATOM 151 CB CYS A 11 2.614 16.143 -1.374 1.00 0.00 C ATOM 152 SG CYS A 11 2.757 16.080 -3.197 1.00 0.00 S ATOM 0 H CYS A 11 3.147 13.777 0.865 1.00 0.00 H new ATOM 0 HA CYS A 11 3.399 14.187 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.577 15.985 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.903 17.130 -1.012 1.00 0.00 H new ATOM 0 HG CYS A 11 3.990 16.302 -3.543 1.00 0.00 H new ATOM 158 N ASN A 12 5.843 14.510 -0.557 1.00 0.00 N ATOM 159 CA ASN A 12 7.272 14.767 -0.513 1.00 0.00 C ATOM 160 C ASN A 12 8.029 13.451 -0.697 1.00 0.00 C ATOM 161 O ASN A 12 8.567 13.185 -1.771 1.00 0.00 O ATOM 162 CB ASN A 12 7.682 15.364 0.835 1.00 0.00 C ATOM 163 CG ASN A 12 6.461 15.600 1.725 1.00 0.00 C ATOM 164 OD1 ASN A 12 5.738 14.686 2.086 1.00 0.00 O ATOM 165 ND2 ASN A 12 6.271 16.874 2.057 1.00 0.00 N ATOM 0 H ASN A 12 5.583 13.529 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 12 7.513 15.472 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.378 14.692 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.207 16.306 0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.482 17.135 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.915 17.590 1.720 1.00 0.00 H new ATOM 172 N HIS A 13 8.047 12.661 0.367 1.00 0.00 N ATOM 173 CA HIS A 13 8.729 11.378 0.336 1.00 0.00 C ATOM 174 C HIS A 13 7.801 10.290 0.880 1.00 0.00 C ATOM 175 O HIS A 13 8.212 9.142 1.040 1.00 0.00 O ATOM 176 CB HIS A 13 10.060 11.453 1.086 1.00 0.00 C ATOM 177 CG HIS A 13 11.204 10.770 0.376 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.068 9.552 -0.266 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.505 11.149 0.212 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.240 9.221 -0.788 1.00 0.00 C ATOM 181 NE2 HIS A 13 13.129 10.211 -0.490 1.00 0.00 N ATOM 0 H HIS A 13 7.600 12.885 1.256 1.00 0.00 H new ATOM 0 HA HIS A 13 8.973 11.116 -0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.318 12.500 1.244 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.936 11.003 2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.951 12.057 0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.454 8.324 -1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.112 10.228 -0.762 1.00 0.00 H new ATOM 189 N CYS A 14 6.567 10.690 1.150 1.00 0.00 N ATOM 190 CA CYS A 14 5.578 9.764 1.673 1.00 0.00 C ATOM 191 C CYS A 14 5.266 8.731 0.588 1.00 0.00 C ATOM 192 O CYS A 14 5.422 7.530 0.805 1.00 0.00 O ATOM 193 CB CYS A 14 4.318 10.490 2.149 1.00 0.00 C ATOM 194 SG CYS A 14 4.540 11.065 3.872 1.00 0.00 S ATOM 0 H CYS A 14 6.230 11.643 1.016 1.00 0.00 H new ATOM 0 HA CYS A 14 5.979 9.258 2.551 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.109 11.339 1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.459 9.822 2.088 1.00 0.00 H new ATOM 0 HG CYS A 14 3.947 10.241 4.684 1.00 0.00 H new ATOM 200 N VAL A 15 4.830 9.236 -0.557 1.00 0.00 N ATOM 201 CA VAL A 15 4.494 8.372 -1.676 1.00 0.00 C ATOM 202 C VAL A 15 5.485 7.208 -1.732 1.00 0.00 C ATOM 203 O VAL A 15 5.083 6.049 -1.824 1.00 0.00 O ATOM 204 CB VAL A 15 4.454 9.186 -2.971 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.743 8.299 -4.185 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.114 9.907 -3.125 1.00 0.00 C ATOM 0 H VAL A 15 4.702 10.232 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 15 3.500 7.946 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 15 5.236 9.943 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.709 8.902 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.732 7.853 -4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.994 7.509 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.113 10.478 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.307 9.174 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.966 10.583 -2.283 1.00 0.00 H new ATOM 216 N ALA A 16 6.762 7.557 -1.673 1.00 0.00 N ATOM 217 CA ALA A 16 7.814 6.555 -1.715 1.00 0.00 C ATOM 218 C ALA A 16 7.742 5.692 -0.453 1.00 0.00 C ATOM 219 O ALA A 16 7.533 4.483 -0.535 1.00 0.00 O ATOM 220 CB ALA A 16 9.170 7.245 -1.872 1.00 0.00 C ATOM 0 H ALA A 16 7.092 8.519 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 16 7.682 5.896 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.959 6.494 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.180 7.821 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.338 7.913 -1.027 1.00 0.00 H new ATOM 226 N ARG A 17 7.919 6.348 0.684 1.00 0.00 N ATOM 227 CA ARG A 17 7.877 5.656 1.961 1.00 0.00 C ATOM 228 C ARG A 17 6.694 4.687 2.001 1.00 0.00 C ATOM 229 O ARG A 17 6.827 3.558 2.470 1.00 0.00 O ATOM 230 CB ARG A 17 7.754 6.647 3.121 1.00 0.00 C ATOM 231 CG ARG A 17 8.910 6.480 4.109 1.00 0.00 C ATOM 232 CD ARG A 17 9.433 7.840 4.576 1.00 0.00 C ATOM 233 NE ARG A 17 10.370 7.660 5.708 1.00 0.00 N ATOM 234 CZ ARG A 17 11.675 7.390 5.567 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.205 7.266 4.342 1.00 0.00 N ATOM 236 NH2 ARG A 17 12.450 7.243 6.650 1.00 0.00 N ATOM 0 H ARG A 17 8.092 7.351 0.748 1.00 0.00 H new ATOM 0 HA ARG A 17 8.809 5.102 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.746 7.666 2.734 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.806 6.494 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.577 5.900 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.717 5.918 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.937 8.347 3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.600 8.474 4.880 1.00 0.00 H new ATOM 0 HE ARG A 17 9.999 7.747 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.615 7.377 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.198 7.061 4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.047 7.337 7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.443 7.037 6.542 1.00 0.00 H new ATOM 250 N ILE A 18 5.563 5.163 1.501 1.00 0.00 N ATOM 251 CA ILE A 18 4.357 4.353 1.474 1.00 0.00 C ATOM 252 C ILE A 18 4.522 3.236 0.441 1.00 0.00 C ATOM 253 O ILE A 18 4.476 2.056 0.784 1.00 0.00 O ATOM 254 CB ILE A 18 3.126 5.231 1.239 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.045 6.351 2.278 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.850 4.388 1.204 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.939 7.347 1.926 1.00 0.00 C ATOM 0 H ILE A 18 5.456 6.100 1.111 1.00 0.00 H new ATOM 0 HA ILE A 18 4.198 3.874 2.440 1.00 0.00 H new ATOM 0 HB ILE A 18 3.226 5.705 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.855 5.925 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.002 6.870 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.990 5.036 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.918 3.658 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.732 3.868 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.903 8.133 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.144 7.789 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.980 6.830 1.895 1.00 0.00 H new ATOM 269 N GLU A 19 4.710 3.648 -0.804 1.00 0.00 N ATOM 270 CA GLU A 19 4.882 2.698 -1.890 1.00 0.00 C ATOM 271 C GLU A 19 5.941 1.657 -1.521 1.00 0.00 C ATOM 272 O GLU A 19 5.728 0.459 -1.702 1.00 0.00 O ATOM 273 CB GLU A 19 5.246 3.413 -3.192 1.00 0.00 C ATOM 274 CG GLU A 19 5.995 2.475 -4.142 1.00 0.00 C ATOM 275 CD GLU A 19 7.475 2.381 -3.765 1.00 0.00 C ATOM 276 OE1 GLU A 19 8.101 3.457 -3.651 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.947 1.236 -3.600 1.00 0.00 O ATOM 0 H GLU A 19 4.747 4.628 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 19 3.935 2.183 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.340 3.779 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.864 4.284 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.544 1.483 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.899 2.836 -5.166 1.00 0.00 H new ATOM 284 N GLU A 20 7.059 2.152 -1.011 1.00 0.00 N ATOM 285 CA GLU A 20 8.152 1.280 -0.615 1.00 0.00 C ATOM 286 C GLU A 20 7.724 0.389 0.553 1.00 0.00 C ATOM 287 O GLU A 20 7.917 -0.825 0.516 1.00 0.00 O ATOM 288 CB GLU A 20 9.399 2.091 -0.258 1.00 0.00 C ATOM 289 CG GLU A 20 10.667 1.255 -0.438 1.00 0.00 C ATOM 290 CD GLU A 20 11.070 0.580 0.874 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.560 -0.535 1.119 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.879 1.194 1.603 1.00 0.00 O ATOM 0 H GLU A 20 7.232 3.146 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 20 8.405 0.640 -1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.452 2.979 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.330 2.436 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.502 0.498 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.480 1.891 -0.788 1.00 0.00 H new ATOM 299 N ALA A 21 7.150 1.027 1.562 1.00 0.00 N ATOM 300 CA ALA A 21 6.693 0.308 2.739 1.00 0.00 C ATOM 301 C ALA A 21 5.690 -0.768 2.317 1.00 0.00 C ATOM 302 O ALA A 21 5.754 -1.901 2.791 1.00 0.00 O ATOM 303 CB ALA A 21 6.097 1.297 3.743 1.00 0.00 C ATOM 0 H ALA A 21 6.991 2.034 1.589 1.00 0.00 H new ATOM 0 HA ALA A 21 7.528 -0.193 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.754 0.757 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.857 2.023 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.255 1.817 3.286 1.00 0.00 H new ATOM 309 N VAL A 22 4.788 -0.375 1.429 1.00 0.00 N ATOM 310 CA VAL A 22 3.773 -1.292 0.938 1.00 0.00 C ATOM 311 C VAL A 22 4.434 -2.346 0.047 1.00 0.00 C ATOM 312 O VAL A 22 4.186 -3.541 0.205 1.00 0.00 O ATOM 313 CB VAL A 22 2.667 -0.513 0.223 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.552 -1.450 -0.245 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.111 0.596 1.118 1.00 0.00 C ATOM 0 H VAL A 22 4.739 0.565 1.037 1.00 0.00 H new ATOM 0 HA VAL A 22 3.298 -1.818 1.767 1.00 0.00 H new ATOM 0 HB VAL A 22 3.104 -0.044 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.779 -0.871 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.962 -2.187 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.120 -1.960 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.327 1.134 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.698 0.158 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.912 1.288 1.380 1.00 0.00 H new ATOM 325 N GLY A 23 5.260 -1.866 -0.870 1.00 0.00 N ATOM 326 CA GLY A 23 5.958 -2.752 -1.787 1.00 0.00 C ATOM 327 C GLY A 23 6.914 -3.678 -1.032 1.00 0.00 C ATOM 328 O GLY A 23 7.449 -4.625 -1.607 1.00 0.00 O ATOM 0 H GLY A 23 5.462 -0.875 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.235 -3.347 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.516 -2.162 -2.515 1.00 0.00 H new ATOM 332 N ARG A 24 7.100 -3.372 0.244 1.00 0.00 N ATOM 333 CA ARG A 24 7.982 -4.165 1.082 1.00 0.00 C ATOM 334 C ARG A 24 7.211 -5.323 1.719 1.00 0.00 C ATOM 335 O ARG A 24 7.810 -6.245 2.269 1.00 0.00 O ATOM 336 CB ARG A 24 8.609 -3.310 2.186 1.00 0.00 C ATOM 337 CG ARG A 24 9.212 -4.189 3.284 1.00 0.00 C ATOM 338 CD ARG A 24 10.326 -5.077 2.725 1.00 0.00 C ATOM 339 NE ARG A 24 10.959 -5.844 3.821 1.00 0.00 N ATOM 340 CZ ARG A 24 10.442 -6.959 4.354 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.279 -7.443 3.897 1.00 0.00 N ATOM 342 NH2 ARG A 24 11.086 -7.589 5.346 1.00 0.00 N ATOM 0 H ARG A 24 6.655 -2.586 0.717 1.00 0.00 H new ATOM 0 HA ARG A 24 8.776 -4.559 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.383 -2.671 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.853 -2.653 2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.609 -3.560 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.433 -4.811 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.918 -5.760 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.073 -4.464 2.221 1.00 0.00 H new ATOM 0 HE ARG A 24 11.845 -5.502 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.788 -6.962 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.885 -8.292 4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.970 -7.220 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.692 -8.438 5.752 1.00 0.00 H new ATOM 356 N ILE A 25 5.892 -5.236 1.624 1.00 0.00 N ATOM 357 CA ILE A 25 5.032 -6.265 2.184 1.00 0.00 C ATOM 358 C ILE A 25 5.276 -7.584 1.448 1.00 0.00 C ATOM 359 O ILE A 25 5.141 -7.651 0.227 1.00 0.00 O ATOM 360 CB ILE A 25 3.571 -5.811 2.165 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.397 -4.491 2.918 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.649 -6.905 2.706 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.002 -4.576 4.321 1.00 0.00 C ATOM 0 H ILE A 25 5.398 -4.469 1.168 1.00 0.00 H new ATOM 0 HA ILE A 25 5.275 -6.435 3.233 1.00 0.00 H new ATOM 0 HB ILE A 25 3.283 -5.631 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.874 -3.685 2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.337 -4.246 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.617 -6.556 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.745 -7.799 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.928 -7.141 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.865 -3.624 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.506 -5.367 4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.067 -4.797 4.245 1.00 0.00 H new ATOM 375 N SER A 26 5.630 -8.599 2.221 1.00 0.00 N ATOM 376 CA SER A 26 5.894 -9.913 1.658 1.00 0.00 C ATOM 377 C SER A 26 4.610 -10.493 1.061 1.00 0.00 C ATOM 378 O SER A 26 3.665 -10.794 1.787 1.00 0.00 O ATOM 379 CB SER A 26 6.464 -10.861 2.715 1.00 0.00 C ATOM 380 OG SER A 26 7.111 -11.987 2.128 1.00 0.00 O ATOM 0 H SER A 26 5.740 -8.539 3.233 1.00 0.00 H new ATOM 0 HA SER A 26 6.638 -9.804 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.174 -10.321 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.660 -11.204 3.366 1.00 0.00 H new ATOM 0 HG SER A 26 7.463 -12.567 2.835 1.00 0.00 H new ATOM 386 N GLY A 27 4.619 -10.633 -0.257 1.00 0.00 N ATOM 387 CA GLY A 27 3.468 -11.172 -0.960 1.00 0.00 C ATOM 388 C GLY A 27 2.938 -10.174 -1.991 1.00 0.00 C ATOM 389 O GLY A 27 2.091 -10.517 -2.814 1.00 0.00 O ATOM 0 H GLY A 27 5.406 -10.382 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.744 -12.102 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.681 -11.414 -0.245 1.00 0.00 H new ATOM 393 N VAL A 28 3.459 -8.958 -1.913 1.00 0.00 N ATOM 394 CA VAL A 28 3.050 -7.908 -2.829 1.00 0.00 C ATOM 395 C VAL A 28 3.907 -7.978 -4.094 1.00 0.00 C ATOM 396 O VAL A 28 5.134 -8.024 -4.015 1.00 0.00 O ATOM 397 CB VAL A 28 3.122 -6.548 -2.132 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.685 -5.425 -3.075 1.00 0.00 C ATOM 399 CG2 VAL A 28 2.286 -6.543 -0.851 1.00 0.00 C ATOM 0 H VAL A 28 4.161 -8.677 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 28 2.012 -8.048 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 28 4.161 -6.369 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.745 -4.469 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.340 -5.406 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.658 -5.599 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.355 -5.565 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.245 -6.756 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.662 -7.305 -0.168 1.00 0.00 H new ATOM 409 N LYS A 29 3.228 -7.982 -5.232 1.00 0.00 N ATOM 410 CA LYS A 29 3.912 -8.046 -6.512 1.00 0.00 C ATOM 411 C LYS A 29 4.325 -6.635 -6.935 1.00 0.00 C ATOM 412 O LYS A 29 5.394 -6.444 -7.514 1.00 0.00 O ATOM 413 CB LYS A 29 3.048 -8.770 -7.546 1.00 0.00 C ATOM 414 CG LYS A 29 3.867 -9.810 -8.313 1.00 0.00 C ATOM 415 CD LYS A 29 3.411 -11.229 -7.969 1.00 0.00 C ATOM 416 CE LYS A 29 3.449 -12.132 -9.203 1.00 0.00 C ATOM 417 NZ LYS A 29 4.501 -13.164 -9.059 1.00 0.00 N ATOM 0 H LYS A 29 2.211 -7.942 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 29 4.826 -8.634 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.210 -9.257 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.627 -8.046 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.764 -9.641 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.924 -9.695 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.053 -11.643 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.399 -11.202 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.479 -12.610 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.639 -11.533 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.513 -13.768 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.427 -12.703 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.303 -13.747 -8.221 1.00 0.00 H new ATOM 431 N LYS A 30 3.457 -5.682 -6.629 1.00 0.00 N ATOM 432 CA LYS A 30 3.718 -4.294 -6.970 1.00 0.00 C ATOM 433 C LYS A 30 2.743 -3.394 -6.209 1.00 0.00 C ATOM 434 O LYS A 30 1.766 -3.875 -5.637 1.00 0.00 O ATOM 435 CB LYS A 30 3.680 -4.098 -8.487 1.00 0.00 C ATOM 436 CG LYS A 30 4.081 -2.671 -8.866 1.00 0.00 C ATOM 437 CD LYS A 30 4.554 -2.603 -10.320 1.00 0.00 C ATOM 438 CE LYS A 30 5.762 -1.675 -10.460 1.00 0.00 C ATOM 439 NZ LYS A 30 6.138 -1.525 -11.884 1.00 0.00 N ATOM 0 H LYS A 30 2.572 -5.844 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 30 4.723 -4.009 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.354 -4.808 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.678 -4.309 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.233 -2.001 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.875 -2.325 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.816 -3.602 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.742 -2.247 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.529 -0.699 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.604 -2.076 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.960 -0.892 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.380 -2.456 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.339 -1.121 -12.413 1.00 0.00 H new ATOM 453 N VAL A 31 3.041 -2.103 -6.227 1.00 0.00 N ATOM 454 CA VAL A 31 2.202 -1.131 -5.546 1.00 0.00 C ATOM 455 C VAL A 31 2.419 0.249 -6.170 1.00 0.00 C ATOM 456 O VAL A 31 3.433 0.487 -6.823 1.00 0.00 O ATOM 457 CB VAL A 31 2.485 -1.159 -4.042 1.00 0.00 C ATOM 458 CG1 VAL A 31 3.987 -1.080 -3.765 1.00 0.00 C ATOM 459 CG2 VAL A 31 1.735 -0.036 -3.323 1.00 0.00 C ATOM 0 H VAL A 31 3.852 -1.707 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 31 1.148 -1.381 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 31 2.122 -2.109 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.160 -1.102 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.488 -1.929 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.385 -0.153 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.953 -0.078 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.054 0.927 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.663 -0.156 -3.479 1.00 0.00 H new ATOM 469 N LYS A 32 1.448 1.123 -5.946 1.00 0.00 N ATOM 470 CA LYS A 32 1.520 2.473 -6.478 1.00 0.00 C ATOM 471 C LYS A 32 0.662 3.402 -5.616 1.00 0.00 C ATOM 472 O LYS A 32 -0.171 2.940 -4.838 1.00 0.00 O ATOM 473 CB LYS A 32 1.142 2.486 -7.960 1.00 0.00 C ATOM 474 CG LYS A 32 1.738 3.705 -8.668 1.00 0.00 C ATOM 475 CD LYS A 32 0.637 4.649 -9.155 1.00 0.00 C ATOM 476 CE LYS A 32 1.069 5.384 -10.425 1.00 0.00 C ATOM 477 NZ LYS A 32 1.030 4.473 -11.591 1.00 0.00 N ATOM 0 H LYS A 32 0.608 0.922 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 32 2.543 2.847 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.498 1.573 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.057 2.496 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.403 4.237 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.343 3.379 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.273 4.082 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.401 5.372 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.412 6.236 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.077 5.779 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.041 5.031 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.859 3.846 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.162 3.901 -11.555 1.00 0.00 H new ATOM 491 N VAL A 33 0.894 4.696 -5.785 1.00 0.00 N ATOM 492 CA VAL A 33 0.153 5.693 -5.033 1.00 0.00 C ATOM 493 C VAL A 33 -0.283 6.817 -5.975 1.00 0.00 C ATOM 494 O VAL A 33 0.371 7.074 -6.985 1.00 0.00 O ATOM 495 CB VAL A 33 0.994 6.193 -3.856 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.072 7.172 -4.329 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.111 6.829 -2.781 1.00 0.00 C ATOM 0 H VAL A 33 1.585 5.076 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.751 5.256 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 33 1.494 5.332 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.655 7.512 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.729 6.673 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.600 8.029 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.734 7.176 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.430 7.674 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.602 6.091 -2.412 1.00 0.00 H new ATOM 507 N GLN A 34 -1.386 7.455 -5.613 1.00 0.00 N ATOM 508 CA GLN A 34 -1.917 8.545 -6.414 1.00 0.00 C ATOM 509 C GLN A 34 -1.766 9.873 -5.670 1.00 0.00 C ATOM 510 O GLN A 34 -2.593 10.213 -4.825 1.00 0.00 O ATOM 511 CB GLN A 34 -3.379 8.288 -6.788 1.00 0.00 C ATOM 512 CG GLN A 34 -3.481 7.350 -7.991 1.00 0.00 C ATOM 513 CD GLN A 34 -4.245 6.074 -7.629 1.00 0.00 C ATOM 514 OE1 GLN A 34 -4.402 5.722 -6.472 1.00 0.00 O ATOM 515 NE2 GLN A 34 -4.709 5.405 -8.681 1.00 0.00 N ATOM 0 H GLN A 34 -1.927 7.238 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.344 8.603 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.904 7.853 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.871 9.233 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.985 7.859 -8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.482 7.093 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.541 5.757 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.233 4.540 -8.545 1.00 0.00 H new ATOM 524 N LEU A 35 -0.705 10.588 -6.011 1.00 0.00 N ATOM 525 CA LEU A 35 -0.435 11.872 -5.387 1.00 0.00 C ATOM 526 C LEU A 35 -1.535 12.863 -5.771 1.00 0.00 C ATOM 527 O LEU A 35 -2.229 12.669 -6.768 1.00 0.00 O ATOM 528 CB LEU A 35 0.975 12.352 -5.736 1.00 0.00 C ATOM 529 CG LEU A 35 1.531 13.487 -4.873 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.905 14.828 -5.261 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.353 13.181 -3.385 1.00 0.00 C ATOM 0 H LEU A 35 -0.021 10.303 -6.712 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.455 11.779 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.654 11.502 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.979 12.678 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 35 2.602 13.566 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.317 15.617 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.126 15.044 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.175 14.780 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.756 14.003 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.293 13.060 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.883 12.261 -3.137 1.00 0.00 H new ATOM 543 N LYS A 36 -1.660 13.903 -4.960 1.00 0.00 N ATOM 544 CA LYS A 36 -2.664 14.925 -5.203 1.00 0.00 C ATOM 545 C LYS A 36 -4.021 14.256 -5.431 1.00 0.00 C ATOM 546 O LYS A 36 -4.914 14.847 -6.036 1.00 0.00 O ATOM 547 CB LYS A 36 -2.230 15.841 -6.349 1.00 0.00 C ATOM 548 CG LYS A 36 -3.155 17.055 -6.462 1.00 0.00 C ATOM 549 CD LYS A 36 -2.536 18.136 -7.350 1.00 0.00 C ATOM 550 CE LYS A 36 -3.318 19.447 -7.243 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.481 20.501 -6.628 1.00 0.00 N ATOM 0 H LYS A 36 -1.083 14.060 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.769 15.571 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.205 16.174 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.238 15.285 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.116 16.747 -6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.349 17.462 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.499 18.302 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.525 17.798 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.644 19.765 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.217 19.293 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.027 21.384 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.191 20.202 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.636 20.659 -7.213 1.00 0.00 H new ATOM 565 N LYS A 37 -4.133 13.033 -4.934 1.00 0.00 N ATOM 566 CA LYS A 37 -5.366 12.278 -5.076 1.00 0.00 C ATOM 567 C LYS A 37 -5.762 11.697 -3.717 1.00 0.00 C ATOM 568 O LYS A 37 -6.945 11.641 -3.383 1.00 0.00 O ATOM 569 CB LYS A 37 -5.226 11.226 -6.178 1.00 0.00 C ATOM 570 CG LYS A 37 -6.327 11.383 -7.229 1.00 0.00 C ATOM 571 CD LYS A 37 -6.036 10.523 -8.461 1.00 0.00 C ATOM 572 CE LYS A 37 -6.683 9.143 -8.332 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.611 8.898 -9.459 1.00 0.00 N ATOM 0 H LYS A 37 -3.390 12.546 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.179 12.931 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.249 11.319 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.274 10.228 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.287 11.097 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.408 12.430 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.411 11.022 -9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.959 10.413 -8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.911 8.373 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.223 9.075 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.042 7.957 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.357 9.622 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.087 8.942 -10.356 1.00 0.00 H new ATOM 587 N GLU A 38 -4.751 11.279 -2.971 1.00 0.00 N ATOM 588 CA GLU A 38 -4.978 10.704 -1.656 1.00 0.00 C ATOM 589 C GLU A 38 -5.545 9.288 -1.786 1.00 0.00 C ATOM 590 O GLU A 38 -6.588 8.978 -1.212 1.00 0.00 O ATOM 591 CB GLU A 38 -5.905 11.591 -0.823 1.00 0.00 C ATOM 592 CG GLU A 38 -5.107 12.435 0.173 1.00 0.00 C ATOM 593 CD GLU A 38 -5.930 12.724 1.430 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.130 12.376 1.415 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.339 13.285 2.378 1.00 0.00 O ATOM 0 H GLU A 38 -3.772 11.327 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.022 10.645 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.478 12.244 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.623 10.970 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.191 11.912 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.811 13.373 -0.296 1.00 0.00 H new ATOM 602 N LYS A 39 -4.833 8.468 -2.545 1.00 0.00 N ATOM 603 CA LYS A 39 -5.252 7.093 -2.758 1.00 0.00 C ATOM 604 C LYS A 39 -4.015 6.206 -2.913 1.00 0.00 C ATOM 605 O LYS A 39 -2.923 6.700 -3.188 1.00 0.00 O ATOM 606 CB LYS A 39 -6.224 7.006 -3.937 1.00 0.00 C ATOM 607 CG LYS A 39 -6.142 8.260 -4.809 1.00 0.00 C ATOM 608 CD LYS A 39 -7.259 9.245 -4.459 1.00 0.00 C ATOM 609 CE LYS A 39 -8.630 8.668 -4.814 1.00 0.00 C ATOM 610 NZ LYS A 39 -9.489 9.709 -5.423 1.00 0.00 N ATOM 0 H LYS A 39 -3.969 8.729 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.803 6.724 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.995 6.126 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.241 6.883 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.173 8.740 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.214 7.982 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.223 9.478 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.104 10.181 -4.996 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.512 7.835 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.108 8.272 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.451 9.335 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.520 10.542 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.100 9.982 -6.348 1.00 0.00 H new ATOM 624 N ALA A 40 -4.229 4.911 -2.731 1.00 0.00 N ATOM 625 CA ALA A 40 -3.145 3.950 -2.847 1.00 0.00 C ATOM 626 C ALA A 40 -3.694 2.633 -3.397 1.00 0.00 C ATOM 627 O ALA A 40 -4.754 2.173 -2.975 1.00 0.00 O ATOM 628 CB ALA A 40 -2.468 3.777 -1.486 1.00 0.00 C ATOM 0 H ALA A 40 -5.137 4.505 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.388 4.308 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.655 3.056 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.069 4.735 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.197 3.416 -0.760 1.00 0.00 H new ATOM 634 N VAL A 41 -2.948 2.062 -4.332 1.00 0.00 N ATOM 635 CA VAL A 41 -3.347 0.806 -4.945 1.00 0.00 C ATOM 636 C VAL A 41 -2.189 -0.190 -4.856 1.00 0.00 C ATOM 637 O VAL A 41 -1.029 0.185 -5.022 1.00 0.00 O ATOM 638 CB VAL A 41 -3.817 1.051 -6.380 1.00 0.00 C ATOM 639 CG1 VAL A 41 -4.256 -0.257 -7.043 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.940 2.090 -6.420 1.00 0.00 C ATOM 0 H VAL A 41 -2.069 2.446 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.191 0.371 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.974 1.448 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.586 -0.056 -8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.418 -0.954 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.078 -0.695 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.255 2.245 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.786 1.734 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.580 3.031 -6.005 1.00 0.00 H new ATOM 650 N VAL A 42 -2.544 -1.439 -4.596 1.00 0.00 N ATOM 651 CA VAL A 42 -1.549 -2.492 -4.484 1.00 0.00 C ATOM 652 C VAL A 42 -1.999 -3.703 -5.303 1.00 0.00 C ATOM 653 O VAL A 42 -3.184 -3.853 -5.595 1.00 0.00 O ATOM 654 CB VAL A 42 -1.303 -2.825 -3.011 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.290 -3.962 -2.867 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.848 -1.585 -2.237 1.00 0.00 C ATOM 0 H VAL A 42 -3.507 -1.746 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.595 -2.160 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.247 -3.161 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.134 -4.178 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.669 -4.853 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.656 -3.666 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.680 -1.849 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.078 -1.206 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.618 -0.816 -2.297 1.00 0.00 H new ATOM 666 N LYS A 43 -1.029 -4.536 -5.650 1.00 0.00 N ATOM 667 CA LYS A 43 -1.311 -5.730 -6.430 1.00 0.00 C ATOM 668 C LYS A 43 -0.667 -6.941 -5.752 1.00 0.00 C ATOM 669 O LYS A 43 0.455 -7.320 -6.086 1.00 0.00 O ATOM 670 CB LYS A 43 -0.876 -5.535 -7.884 1.00 0.00 C ATOM 671 CG LYS A 43 -1.801 -6.292 -8.839 1.00 0.00 C ATOM 672 CD LYS A 43 -1.689 -5.742 -10.262 1.00 0.00 C ATOM 673 CE LYS A 43 -2.996 -5.076 -10.697 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.632 -5.847 -11.788 1.00 0.00 N ATOM 0 H LYS A 43 -0.047 -4.408 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.384 -5.918 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.883 -4.473 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.149 -5.885 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.546 -7.352 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.832 -6.210 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.874 -5.020 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.442 -6.551 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.676 -5.007 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.799 -4.057 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.518 -5.381 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.988 -5.891 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.838 -6.811 -11.457 1.00 0.00 H new ATOM 688 N PHE A 44 -1.403 -7.514 -4.812 1.00 0.00 N ATOM 689 CA PHE A 44 -0.918 -8.674 -4.084 1.00 0.00 C ATOM 690 C PHE A 44 -1.934 -9.817 -4.133 1.00 0.00 C ATOM 691 O PHE A 44 -3.019 -9.664 -4.692 1.00 0.00 O ATOM 692 CB PHE A 44 -0.725 -8.241 -2.629 1.00 0.00 C ATOM 693 CG PHE A 44 -1.823 -7.313 -2.106 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.131 -7.620 -2.315 1.00 0.00 C ATOM 695 CD2 PHE A 44 -1.491 -6.180 -1.431 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.150 -6.759 -1.830 1.00 0.00 C ATOM 697 CE2 PHE A 44 -2.510 -5.318 -0.945 1.00 0.00 C ATOM 698 CZ PHE A 44 -3.818 -5.626 -1.154 1.00 0.00 C ATOM 0 H PHE A 44 -2.333 -7.196 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 44 0.011 -9.030 -4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.683 -9.129 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.237 -7.738 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.395 -8.520 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.452 -5.936 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.189 -7.003 -1.998 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.246 -4.418 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.593 -4.971 -0.783 1.00 0.00 H new ATOM 708 N ASP A 45 -1.546 -10.937 -3.541 1.00 0.00 N ATOM 709 CA ASP A 45 -2.409 -12.105 -3.511 1.00 0.00 C ATOM 710 C ASP A 45 -3.177 -12.132 -2.188 1.00 0.00 C ATOM 711 O ASP A 45 -2.580 -12.033 -1.117 1.00 0.00 O ATOM 712 CB ASP A 45 -1.593 -13.396 -3.610 1.00 0.00 C ATOM 713 CG ASP A 45 -2.389 -14.683 -3.383 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.459 -14.807 -4.017 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.909 -15.513 -2.581 1.00 0.00 O ATOM 0 H ASP A 45 -0.645 -11.060 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.090 -12.043 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.131 -13.441 -4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.784 -13.354 -2.881 1.00 0.00 H new ATOM 720 N GLU A 46 -4.490 -12.266 -2.305 1.00 0.00 N ATOM 721 CA GLU A 46 -5.346 -12.307 -1.132 1.00 0.00 C ATOM 722 C GLU A 46 -5.140 -13.618 -0.370 1.00 0.00 C ATOM 723 O GLU A 46 -5.417 -13.695 0.826 1.00 0.00 O ATOM 724 CB GLU A 46 -6.815 -12.123 -1.518 1.00 0.00 C ATOM 725 CG GLU A 46 -7.570 -11.339 -0.443 1.00 0.00 C ATOM 726 CD GLU A 46 -9.037 -11.147 -0.833 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.598 -12.099 -1.418 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.565 -10.053 -0.537 1.00 0.00 O ATOM 0 H GLU A 46 -4.982 -12.348 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.070 -11.481 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.881 -11.597 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.283 -13.098 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.509 -11.868 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.098 -10.367 -0.298 1.00 0.00 H new ATOM 735 N ALA A 47 -4.654 -14.616 -1.093 1.00 0.00 N ATOM 736 CA ALA A 47 -4.407 -15.919 -0.501 1.00 0.00 C ATOM 737 C ALA A 47 -2.999 -15.945 0.096 1.00 0.00 C ATOM 738 O ALA A 47 -2.456 -17.014 0.369 1.00 0.00 O ATOM 739 CB ALA A 47 -4.613 -17.008 -1.556 1.00 0.00 C ATOM 0 H ALA A 47 -4.425 -14.548 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.112 -16.112 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.427 -17.986 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.637 -16.967 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.921 -16.849 -2.383 1.00 0.00 H new ATOM 745 N ASN A 48 -2.447 -14.755 0.281 1.00 0.00 N ATOM 746 CA ASN A 48 -1.112 -14.627 0.841 1.00 0.00 C ATOM 747 C ASN A 48 -1.080 -13.442 1.808 1.00 0.00 C ATOM 748 O ASN A 48 -0.572 -13.559 2.921 1.00 0.00 O ATOM 749 CB ASN A 48 -0.078 -14.370 -0.257 1.00 0.00 C ATOM 750 CG ASN A 48 1.063 -15.387 -0.184 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.134 -15.121 0.337 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.775 -16.564 -0.733 1.00 0.00 N ATOM 0 H ASN A 48 -2.900 -13.870 0.053 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.870 -15.558 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.558 -14.426 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.322 -13.361 -0.156 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.471 -17.310 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.141 -16.720 -1.152 1.00 0.00 H new ATOM 759 N VAL A 49 -1.630 -12.328 1.347 1.00 0.00 N ATOM 760 CA VAL A 49 -1.671 -11.123 2.157 1.00 0.00 C ATOM 761 C VAL A 49 -3.071 -10.510 2.082 1.00 0.00 C ATOM 762 O VAL A 49 -3.882 -10.907 1.247 1.00 0.00 O ATOM 763 CB VAL A 49 -0.571 -10.156 1.713 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.857 -9.606 0.314 1.00 0.00 C ATOM 765 CG2 VAL A 49 -0.398 -9.021 2.724 1.00 0.00 C ATOM 0 H VAL A 49 -2.051 -12.235 0.423 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.475 -11.360 3.203 1.00 0.00 H new ATOM 0 HB VAL A 49 0.366 -10.711 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.060 -8.922 0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.906 -10.430 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.808 -9.074 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.390 -8.348 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.333 -8.468 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.127 -9.436 3.695 1.00 0.00 H new ATOM 775 N GLN A 50 -3.312 -9.554 2.967 1.00 0.00 N ATOM 776 CA GLN A 50 -4.599 -8.883 3.012 1.00 0.00 C ATOM 777 C GLN A 50 -4.414 -7.369 2.887 1.00 0.00 C ATOM 778 O GLN A 50 -3.428 -6.819 3.375 1.00 0.00 O ATOM 779 CB GLN A 50 -5.359 -9.239 4.291 1.00 0.00 C ATOM 780 CG GLN A 50 -5.308 -10.744 4.558 1.00 0.00 C ATOM 781 CD GLN A 50 -6.624 -11.239 5.163 1.00 0.00 C ATOM 782 OE1 GLN A 50 -6.878 -11.111 6.350 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.443 -11.809 4.284 1.00 0.00 N ATOM 0 H GLN A 50 -2.637 -9.228 3.659 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.195 -9.227 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.928 -8.701 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.397 -8.917 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.109 -11.275 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.485 -10.969 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.168 -11.884 3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.346 -12.171 4.589 1.00 0.00 H new ATOM 792 N ALA A 51 -5.378 -6.739 2.232 1.00 0.00 N ATOM 793 CA ALA A 51 -5.333 -5.299 2.038 1.00 0.00 C ATOM 794 C ALA A 51 -5.222 -4.608 3.398 1.00 0.00 C ATOM 795 O ALA A 51 -4.463 -3.653 3.553 1.00 0.00 O ATOM 796 CB ALA A 51 -6.569 -4.851 1.256 1.00 0.00 C ATOM 0 H ALA A 51 -6.195 -7.199 1.829 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.457 -5.018 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.536 -3.771 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.586 -5.348 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.468 -5.114 1.814 1.00 0.00 H new ATOM 802 N THR A 52 -5.989 -5.119 4.350 1.00 0.00 N ATOM 803 CA THR A 52 -5.986 -4.563 5.692 1.00 0.00 C ATOM 804 C THR A 52 -4.566 -4.548 6.260 1.00 0.00 C ATOM 805 O THR A 52 -4.227 -3.689 7.073 1.00 0.00 O ATOM 806 CB THR A 52 -6.972 -5.369 6.540 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.089 -4.499 6.697 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.470 -5.592 7.968 1.00 0.00 C ATOM 0 H THR A 52 -6.617 -5.912 4.218 1.00 0.00 H new ATOM 0 HA THR A 52 -6.312 -3.523 5.690 1.00 0.00 H new ATOM 0 HB THR A 52 -7.155 -6.333 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.777 -4.944 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.207 -6.169 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.527 -6.138 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.318 -4.629 8.455 1.00 0.00 H new ATOM 816 N GLU A 53 -3.773 -5.509 5.810 1.00 0.00 N ATOM 817 CA GLU A 53 -2.397 -5.618 6.264 1.00 0.00 C ATOM 818 C GLU A 53 -1.581 -4.419 5.775 1.00 0.00 C ATOM 819 O GLU A 53 -0.807 -3.840 6.535 1.00 0.00 O ATOM 820 CB GLU A 53 -1.769 -6.934 5.800 1.00 0.00 C ATOM 821 CG GLU A 53 -1.151 -7.691 6.977 1.00 0.00 C ATOM 822 CD GLU A 53 0.377 -7.618 6.935 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.971 -8.519 6.303 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.916 -6.664 7.535 1.00 0.00 O ATOM 0 H GLU A 53 -4.057 -6.219 5.136 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.393 -5.616 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.527 -7.554 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.004 -6.732 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.513 -7.270 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.470 -8.733 6.951 1.00 0.00 H new ATOM 831 N ILE A 54 -1.783 -4.083 4.510 1.00 0.00 N ATOM 832 CA ILE A 54 -1.075 -2.963 3.911 1.00 0.00 C ATOM 833 C ILE A 54 -1.436 -1.679 4.660 1.00 0.00 C ATOM 834 O ILE A 54 -0.578 -0.827 4.886 1.00 0.00 O ATOM 835 CB ILE A 54 -1.352 -2.897 2.408 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.713 -4.082 1.680 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.901 -1.556 1.826 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.527 -5.360 1.892 1.00 0.00 C ATOM 0 H ILE A 54 -2.426 -4.566 3.883 1.00 0.00 H new ATOM 0 HA ILE A 54 0.002 -3.097 4.007 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.429 -2.968 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.643 -3.864 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.304 -4.230 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.109 -1.535 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.441 -0.746 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.169 -1.430 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.051 -6.186 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.574 -5.589 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.536 -5.217 1.506 1.00 0.00 H new ATOM 850 N CYS A 55 -2.706 -1.580 5.023 1.00 0.00 N ATOM 851 CA CYS A 55 -3.191 -0.414 5.741 1.00 0.00 C ATOM 852 C CYS A 55 -2.354 -0.250 7.012 1.00 0.00 C ATOM 853 O CYS A 55 -1.965 0.862 7.365 1.00 0.00 O ATOM 854 CB CYS A 55 -4.685 -0.521 6.051 1.00 0.00 C ATOM 855 SG CYS A 55 -5.602 0.802 5.179 1.00 0.00 S ATOM 0 H CYS A 55 -3.414 -2.289 4.833 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.080 0.473 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.059 -1.497 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.848 -0.441 7.126 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.018 1.682 6.041 1.00 0.00 H new ATOM 861 N GLN A 56 -2.103 -1.375 7.665 1.00 0.00 N ATOM 862 CA GLN A 56 -1.320 -1.371 8.889 1.00 0.00 C ATOM 863 C GLN A 56 0.087 -0.836 8.618 1.00 0.00 C ATOM 864 O GLN A 56 0.606 -0.027 9.385 1.00 0.00 O ATOM 865 CB GLN A 56 -1.265 -2.769 9.509 1.00 0.00 C ATOM 866 CG GLN A 56 -1.485 -2.707 11.022 1.00 0.00 C ATOM 867 CD GLN A 56 -0.350 -1.947 11.711 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.811 -2.315 11.639 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.749 -0.870 12.382 1.00 0.00 N ATOM 0 H GLN A 56 -2.428 -2.296 7.370 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.807 -0.710 9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.025 -3.403 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.299 -3.227 9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.436 -2.219 11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.548 -3.718 11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.737 -0.618 12.401 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.067 -0.296 12.877 1.00 0.00 H new ATOM 878 N ALA A 57 0.664 -1.308 7.523 1.00 0.00 N ATOM 879 CA ALA A 57 2.001 -0.887 7.140 1.00 0.00 C ATOM 880 C ALA A 57 2.017 0.631 6.948 1.00 0.00 C ATOM 881 O ALA A 57 3.021 1.285 7.227 1.00 0.00 O ATOM 882 CB ALA A 57 2.433 -1.639 5.880 1.00 0.00 C ATOM 0 H ALA A 57 0.230 -1.978 6.888 1.00 0.00 H new ATOM 0 HA ALA A 57 2.719 -1.128 7.924 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.436 -1.323 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.433 -2.711 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.738 -1.420 5.069 1.00 0.00 H new ATOM 888 N ILE A 58 0.893 1.147 6.472 1.00 0.00 N ATOM 889 CA ILE A 58 0.765 2.576 6.239 1.00 0.00 C ATOM 890 C ILE A 58 0.675 3.301 7.583 1.00 0.00 C ATOM 891 O ILE A 58 1.517 4.141 7.897 1.00 0.00 O ATOM 892 CB ILE A 58 -0.412 2.863 5.305 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.202 2.204 3.940 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.660 4.368 5.183 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.539 1.808 3.311 1.00 0.00 C ATOM 0 H ILE A 58 0.063 0.601 6.241 1.00 0.00 H new ATOM 0 HA ILE A 58 1.648 2.960 5.728 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.309 2.423 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.326 2.890 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.427 1.321 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.502 4.545 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.886 4.780 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.230 4.852 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.361 1.342 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.054 1.103 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.156 2.697 3.179 1.00 0.00 H new ATOM 907 N ASN A 59 -0.354 2.951 8.340 1.00 0.00 N ATOM 908 CA ASN A 59 -0.565 3.558 9.643 1.00 0.00 C ATOM 909 C ASN A 59 0.720 3.450 10.466 1.00 0.00 C ATOM 910 O ASN A 59 0.991 4.298 11.315 1.00 0.00 O ATOM 911 CB ASN A 59 -1.680 2.843 10.410 1.00 0.00 C ATOM 912 CG ASN A 59 -3.021 3.553 10.217 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.503 4.270 11.079 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.595 3.314 9.041 1.00 0.00 N ATOM 0 H ASN A 59 -1.051 2.255 8.076 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.845 4.600 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.758 1.811 10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.432 2.809 11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.493 3.741 8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.137 2.703 8.365 1.00 0.00 H new ATOM 921 N GLU A 60 1.477 2.400 10.186 1.00 0.00 N ATOM 922 CA GLU A 60 2.728 2.169 10.890 1.00 0.00 C ATOM 923 C GLU A 60 3.730 3.280 10.569 1.00 0.00 C ATOM 924 O GLU A 60 4.778 3.379 11.205 1.00 0.00 O ATOM 925 CB GLU A 60 3.305 0.795 10.547 1.00 0.00 C ATOM 926 CG GLU A 60 4.341 0.360 11.585 1.00 0.00 C ATOM 927 CD GLU A 60 3.662 -0.214 12.830 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.264 0.603 13.688 1.00 0.00 O ATOM 929 OE2 GLU A 60 3.556 -1.458 12.896 1.00 0.00 O ATOM 0 H GLU A 60 1.249 1.699 9.481 1.00 0.00 H new ATOM 0 HA GLU A 60 2.528 2.185 11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.501 0.060 10.501 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.765 0.826 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.004 -0.388 11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.961 1.212 11.865 1.00 0.00 H new ATOM 936 N LEU A 61 3.372 4.089 9.582 1.00 0.00 N ATOM 937 CA LEU A 61 4.227 5.189 9.169 1.00 0.00 C ATOM 938 C LEU A 61 3.920 6.417 10.028 1.00 0.00 C ATOM 939 O LEU A 61 4.648 6.714 10.975 1.00 0.00 O ATOM 940 CB LEU A 61 4.089 5.440 7.666 1.00 0.00 C ATOM 941 CG LEU A 61 4.283 4.220 6.762 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.472 4.643 5.304 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.436 3.347 7.260 1.00 0.00 C ATOM 0 H LEU A 61 2.502 4.005 9.057 1.00 0.00 H new ATOM 0 HA LEU A 61 5.275 4.939 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.099 5.854 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.814 6.201 7.377 1.00 0.00 H new ATOM 0 HG LEU A 61 3.378 3.614 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.608 3.758 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.592 5.191 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.351 5.282 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.553 2.487 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.358 3.929 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.221 3.002 8.271 1.00 0.00 H new ATOM 955 N GLY A 62 2.843 7.099 9.667 1.00 0.00 N ATOM 956 CA GLY A 62 2.431 8.288 10.393 1.00 0.00 C ATOM 957 C GLY A 62 1.351 9.052 9.625 1.00 0.00 C ATOM 958 O GLY A 62 1.351 10.282 9.605 1.00 0.00 O ATOM 0 H GLY A 62 2.243 6.850 8.881 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.053 8.006 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.293 8.935 10.557 1.00 0.00 H new ATOM 962 N TYR A 63 0.455 8.292 9.013 1.00 0.00 N ATOM 963 CA TYR A 63 -0.629 8.882 8.246 1.00 0.00 C ATOM 964 C TYR A 63 -1.903 8.042 8.362 1.00 0.00 C ATOM 965 O TYR A 63 -1.950 7.083 9.130 1.00 0.00 O ATOM 966 CB TYR A 63 -0.163 8.882 6.789 1.00 0.00 C ATOM 967 CG TYR A 63 1.357 8.936 6.621 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.051 10.070 6.990 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.033 7.852 6.100 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.482 10.121 6.833 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.463 7.903 5.943 1.00 0.00 C ATOM 972 CZ TYR A 63 4.117 9.035 6.316 1.00 0.00 C ATOM 973 OH TYR A 63 5.468 9.084 6.167 1.00 0.00 O ATOM 0 H TYR A 63 0.457 7.272 9.033 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.858 9.883 8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.541 7.985 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.605 9.737 6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.522 10.919 7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.489 6.965 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.038 11.002 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.004 7.061 5.538 1.00 0.00 H new ATOM 0 HH TYR A 63 5.693 9.677 5.420 1.00 0.00 H new ATOM 983 N GLN A 64 -2.904 8.434 7.587 1.00 0.00 N ATOM 984 CA GLN A 64 -4.174 7.729 7.593 1.00 0.00 C ATOM 985 C GLN A 64 -4.323 6.891 6.321 1.00 0.00 C ATOM 986 O GLN A 64 -4.001 7.354 5.228 1.00 0.00 O ATOM 987 CB GLN A 64 -5.342 8.706 7.745 1.00 0.00 C ATOM 988 CG GLN A 64 -6.304 8.244 8.842 1.00 0.00 C ATOM 989 CD GLN A 64 -6.423 9.296 9.946 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.450 9.703 10.559 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.667 9.713 10.164 1.00 0.00 N ATOM 0 H GLN A 64 -2.861 9.230 6.951 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.190 7.057 8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.961 9.699 7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.877 8.789 6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.287 8.051 8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.952 7.304 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.437 9.331 9.615 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.851 10.415 10.881 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.810 5.673 6.507 1.00 0.00 N ATOM 1001 CA ALA A 65 -5.005 4.767 5.388 1.00 0.00 C ATOM 1002 C ALA A 65 -6.330 4.023 5.565 1.00 0.00 C ATOM 1003 O ALA A 65 -6.510 3.289 6.536 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.811 3.815 5.289 1.00 0.00 C ATOM 0 H ALA A 65 -5.075 5.293 7.415 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.060 5.320 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.957 3.135 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.898 4.391 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.726 3.240 6.211 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.224 4.238 4.611 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.528 3.597 4.649 1.00 0.00 C ATOM 1012 C GLU A 66 -8.636 2.548 3.541 1.00 0.00 C ATOM 1013 O GLU A 66 -8.394 2.846 2.373 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.650 4.631 4.537 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.162 5.038 5.920 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.691 5.049 5.958 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.271 5.858 5.202 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.246 4.249 6.742 1.00 0.00 O ATOM 0 H GLU A 66 -7.071 4.847 3.807 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.637 3.094 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.286 5.511 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.470 4.220 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.781 4.346 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.781 6.027 6.176 1.00 0.00 H new ATOM 1025 N VAL A 67 -9.000 1.340 3.948 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.143 0.245 3.004 1.00 0.00 C ATOM 1027 C VAL A 67 -10.435 0.431 2.205 1.00 0.00 C ATOM 1028 O VAL A 67 -11.471 0.782 2.766 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.086 -1.094 3.743 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.355 -2.259 2.789 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.744 -1.269 4.457 1.00 0.00 C ATOM 0 H VAL A 67 -9.200 1.096 4.918 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.317 0.245 2.292 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.871 -1.093 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.309 -3.198 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.345 -2.146 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.603 -2.264 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.729 -2.228 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.936 -1.239 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.609 -0.465 5.180 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.330 0.188 0.906 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.476 0.325 0.024 1.00 0.00 C ATOM 1043 C ILE A 68 -11.724 -1.003 -0.693 1.00 0.00 C ATOM 1044 O ILE A 68 -12.768 -1.192 -1.315 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.284 1.510 -0.924 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -10.030 2.307 -0.559 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.534 2.392 -0.960 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.033 3.676 -1.242 1.00 0.00 C ATOM 0 H ILE A 68 -9.469 -0.103 0.444 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.374 0.549 0.599 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.136 1.121 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.979 2.436 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.141 1.750 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.371 3.227 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.385 1.804 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.738 2.774 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.131 4.222 -0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.060 3.543 -2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.910 4.239 -0.924 1.00 0.00 H new