USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 19 HIS : no HD1:sc= -7.05! C(o=-7.3!,f=-7.3!) USER MOD Set 1.2: A 71 TYR OH : rot -41:sc= -0.283! USER MOD Set 2.1: A 6 THR OG1 : rot -108:sc= 0.0666 USER MOD Set 2.2: A 38 HIS :FLIP no HD1:sc= -0.403 F(o=-1.5,f=-0.34) USER MOD Set 3.1: A 4 ASN :FLIP amide:sc= -0.161 F(o=-3.1,f=-1.5) USER MOD Set 3.2: A 36 ASN :FLIP amide:sc= -1.3 F(o=-5.6!,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.478 (180deg=-0.478) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.28 (180deg=1.17) USER MOD Single : A 2 THR OG1 : rot 72:sc= 1.35 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -124:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.28 K(o=-4.3,f=-9.7!) USER MOD Single : A 10 MET CE :methyl 166:sc=-0.00784 (180deg=-0.0689) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 18 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= -0.616 (180deg=-0.771) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -3.35! USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.322 F(o=-1.4,f=-0.32) USER MOD Single : A 42 SER OG : rot 170:sc= -0.711 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0.00722 (180deg=0.00411) USER MOD Single : A 46 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.11) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.68! C(o=-2.7!,f=-2.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.347 USER MOD Single : A 58 ASN :FLIP amide:sc= -1.48! C(o=-2.3!,f=-1.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= -0.183 (180deg=-1.1!) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.4 F(o=-1.9,f=-1.4) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 70:sc= -2.41! USER MOD Single : A 75 ASN : amide:sc= 0.974 K(o=0.97,f=-0.38) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.351 F(o=-2.1!,f=-0.35) USER MOD Single : A 86 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.65) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.587 -1.453 -6.852 1.00 0.00 N ATOM 2 CA MET A 1 186.455 -1.332 -8.329 1.00 0.00 C ATOM 3 C MET A 1 185.202 -2.047 -8.836 1.00 0.00 C ATOM 4 O MET A 1 184.708 -1.754 -9.925 1.00 0.00 O ATOM 5 CB MET A 1 187.726 -1.901 -8.983 1.00 0.00 C ATOM 6 CG MET A 1 187.598 -3.336 -9.486 1.00 0.00 C ATOM 7 SD MET A 1 187.349 -4.528 -8.156 1.00 0.00 S ATOM 8 CE MET A 1 188.673 -5.688 -8.491 1.00 0.00 C ATOM 0 H1 MET A 1 187.418 -0.915 -6.533 1.00 0.00 H new ATOM 0 H2 MET A 1 185.733 -1.074 -6.395 1.00 0.00 H new ATOM 0 H3 MET A 1 186.702 -2.454 -6.595 1.00 0.00 H new ATOM 0 HA MET A 1 186.346 -0.282 -8.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 188.005 -1.261 -9.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 188.541 -1.855 -8.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 186.762 -3.398 -10.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 188.497 -3.602 -10.042 1.00 0.00 H new ATOM 0 HE1 MET A 1 188.652 -6.488 -7.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 188.542 -6.112 -9.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.631 -5.171 -8.440 1.00 0.00 H new ATOM 20 N THR A 2 184.693 -2.987 -8.043 1.00 0.00 N ATOM 21 CA THR A 2 183.502 -3.739 -8.415 1.00 0.00 C ATOM 22 C THR A 2 182.414 -3.603 -7.352 1.00 0.00 C ATOM 23 O THR A 2 182.533 -4.153 -6.257 1.00 0.00 O ATOM 24 CB THR A 2 183.852 -5.216 -8.620 1.00 0.00 C ATOM 25 OG1 THR A 2 184.772 -5.369 -9.686 1.00 0.00 O ATOM 26 CG2 THR A 2 182.651 -6.086 -8.922 1.00 0.00 C ATOM 0 H THR A 2 185.089 -3.245 -7.139 1.00 0.00 H new ATOM 0 HA THR A 2 183.121 -3.328 -9.350 1.00 0.00 H new ATOM 0 HB THR A 2 184.283 -5.542 -7.673 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.654 -5.046 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 2 182.974 -7.118 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 2 181.944 -6.031 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 2 182.169 -5.736 -9.835 1.00 0.00 H new ATOM 34 N MET A 3 181.353 -2.872 -7.683 1.00 0.00 N ATOM 35 CA MET A 3 180.244 -2.671 -6.755 1.00 0.00 C ATOM 36 C MET A 3 179.682 -4.009 -6.289 1.00 0.00 C ATOM 37 O MET A 3 178.848 -4.613 -6.965 1.00 0.00 O ATOM 38 CB MET A 3 179.141 -1.842 -7.416 1.00 0.00 C ATOM 39 CG MET A 3 177.965 -1.548 -6.498 1.00 0.00 C ATOM 40 SD MET A 3 176.393 -2.121 -7.170 1.00 0.00 S ATOM 41 CE MET A 3 175.635 -0.567 -7.637 1.00 0.00 C ATOM 0 H MET A 3 181.238 -2.410 -8.585 1.00 0.00 H new ATOM 0 HA MET A 3 180.620 -2.131 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.565 -0.899 -7.762 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.779 -2.372 -8.297 1.00 0.00 H new ATOM 0 HG2 MET A 3 178.137 -2.023 -5.532 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.909 -0.474 -6.320 1.00 0.00 H new ATOM 0 HE1 MET A 3 174.653 -0.757 -8.070 1.00 0.00 H new ATOM 0 HE2 MET A 3 175.527 0.065 -6.755 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.263 -0.062 -8.370 1.00 0.00 H new ATOM 51 N ASN A 4 180.149 -4.473 -5.133 1.00 0.00 N ATOM 52 CA ASN A 4 179.696 -5.744 -4.582 1.00 0.00 C ATOM 53 C ASN A 4 178.457 -5.561 -3.712 1.00 0.00 C ATOM 54 O ASN A 4 178.483 -4.838 -2.715 1.00 0.00 O ATOM 55 CB ASN A 4 180.814 -6.393 -3.763 1.00 0.00 C ATOM 56 CG ASN A 4 181.820 -7.121 -4.633 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.029 -8.402 -4.353 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 182.402 -6.539 -5.548 1.00 0.00 N flip ATOM 0 H ASN A 4 180.840 -3.987 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 4 179.434 -6.395 -5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.327 -5.626 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.379 -7.094 -3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.211 -5.553 -5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 4 183.075 -7.042 -6.126 1.00 0.00 H new ATOM 65 N ILE A 5 177.372 -6.227 -4.097 1.00 0.00 N ATOM 66 CA ILE A 5 176.118 -6.150 -3.356 1.00 0.00 C ATOM 67 C ILE A 5 175.631 -7.544 -2.977 1.00 0.00 C ATOM 68 O ILE A 5 175.646 -8.459 -3.800 1.00 0.00 O ATOM 69 CB ILE A 5 175.022 -5.439 -4.173 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.592 -4.203 -4.877 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.856 -5.055 -3.274 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.025 -3.110 -3.925 1.00 0.00 C ATOM 0 H ILE A 5 177.337 -6.828 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 5 176.314 -5.572 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 5 174.657 -6.127 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 5 176.445 -4.503 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 5 174.840 -3.804 -5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.090 -4.554 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.435 -5.953 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.207 -4.383 -2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.418 -2.267 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 5 175.170 -2.782 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 5 176.800 -3.492 -3.261 1.00 0.00 H new ATOM 84 N THR A 6 175.205 -7.707 -1.729 1.00 0.00 N ATOM 85 CA THR A 6 174.722 -9.000 -1.258 1.00 0.00 C ATOM 86 C THR A 6 173.616 -8.840 -0.218 1.00 0.00 C ATOM 87 O THR A 6 173.879 -8.812 0.982 1.00 0.00 O ATOM 88 CB THR A 6 175.875 -9.812 -0.666 1.00 0.00 C ATOM 89 OG1 THR A 6 176.697 -8.996 0.150 1.00 0.00 O ATOM 90 CG2 THR A 6 176.760 -10.448 -1.717 1.00 0.00 C ATOM 0 H THR A 6 175.184 -6.965 -1.029 1.00 0.00 H new ATOM 0 HA THR A 6 174.307 -9.530 -2.116 1.00 0.00 H new ATOM 0 HB THR A 6 175.402 -10.603 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.551 -8.835 -0.303 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.558 -11.009 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 6 176.166 -11.123 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 6 177.195 -9.671 -2.345 1.00 0.00 H new ATOM 98 N SER A 7 172.377 -8.744 -0.690 1.00 0.00 N ATOM 99 CA SER A 7 171.230 -8.596 0.198 1.00 0.00 C ATOM 100 C SER A 7 170.636 -9.964 0.531 1.00 0.00 C ATOM 101 O SER A 7 170.600 -10.856 -0.316 1.00 0.00 O ATOM 102 CB SER A 7 170.171 -7.704 -0.450 1.00 0.00 C ATOM 103 OG SER A 7 170.556 -6.340 -0.391 1.00 0.00 O ATOM 0 H SER A 7 172.142 -8.766 -1.682 1.00 0.00 H new ATOM 0 HA SER A 7 171.565 -8.127 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.025 -8.001 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.216 -7.839 0.057 1.00 0.00 H new ATOM 0 HG SER A 7 169.853 -5.821 0.053 1.00 0.00 H new ATOM 109 N LYS A 8 170.180 -10.128 1.769 1.00 0.00 N ATOM 110 CA LYS A 8 169.600 -11.394 2.205 1.00 0.00 C ATOM 111 C LYS A 8 168.248 -11.650 1.532 1.00 0.00 C ATOM 112 O LYS A 8 168.192 -12.219 0.442 1.00 0.00 O ATOM 113 CB LYS A 8 169.460 -11.419 3.731 1.00 0.00 C ATOM 114 CG LYS A 8 168.786 -12.676 4.261 1.00 0.00 C ATOM 115 CD LYS A 8 168.715 -12.673 5.781 1.00 0.00 C ATOM 116 CE LYS A 8 169.700 -13.661 6.386 1.00 0.00 C ATOM 117 NZ LYS A 8 171.111 -13.216 6.214 1.00 0.00 N ATOM 0 H LYS A 8 170.201 -9.403 2.486 1.00 0.00 H new ATOM 0 HA LYS A 8 170.275 -12.195 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 8 170.449 -11.331 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.887 -10.548 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 8 167.780 -12.752 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 8 169.336 -13.555 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 8 168.927 -11.671 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 8 167.703 -12.924 6.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.485 -13.784 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 8 169.568 -14.637 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 171.750 -13.917 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 171.325 -13.123 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 171.244 -12.297 6.681 1.00 0.00 H new ATOM 131 N GLN A 9 167.161 -11.230 2.179 1.00 0.00 N ATOM 132 CA GLN A 9 165.824 -11.426 1.625 1.00 0.00 C ATOM 133 C GLN A 9 165.237 -10.112 1.112 1.00 0.00 C ATOM 134 O GLN A 9 164.064 -10.049 0.746 1.00 0.00 O ATOM 135 CB GLN A 9 164.896 -12.053 2.675 1.00 0.00 C ATOM 136 CG GLN A 9 164.382 -11.073 3.723 1.00 0.00 C ATOM 137 CD GLN A 9 165.455 -10.653 4.707 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.363 -11.422 5.023 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.355 -9.424 5.202 1.00 0.00 N ATOM 0 H GLN A 9 167.180 -10.755 3.081 1.00 0.00 H new ATOM 0 HA GLN A 9 165.909 -12.108 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.043 -12.503 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.429 -12.859 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 9 163.986 -10.188 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.555 -11.529 4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 9 164.586 -8.819 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.047 -9.086 5.871 1.00 0.00 H new ATOM 148 N MET A 10 166.059 -9.065 1.086 1.00 0.00 N ATOM 149 CA MET A 10 165.617 -7.759 0.616 1.00 0.00 C ATOM 150 C MET A 10 166.333 -7.384 -0.676 1.00 0.00 C ATOM 151 O MET A 10 167.372 -6.726 -0.651 1.00 0.00 O ATOM 152 CB MET A 10 165.875 -6.696 1.684 1.00 0.00 C ATOM 153 CG MET A 10 165.384 -5.311 1.296 1.00 0.00 C ATOM 154 SD MET A 10 163.620 -5.277 0.931 1.00 0.00 S ATOM 155 CE MET A 10 163.547 -3.947 -0.265 1.00 0.00 C ATOM 0 H MET A 10 167.034 -9.098 1.385 1.00 0.00 H new ATOM 0 HA MET A 10 164.546 -7.810 0.419 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.388 -6.999 2.611 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.945 -6.649 1.887 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.597 -4.614 2.107 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.938 -4.964 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 10 162.581 -3.964 -0.769 1.00 0.00 H new ATOM 0 HE2 MET A 10 163.674 -2.992 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 10 164.342 -4.074 -1.000 1.00 0.00 H new ATOM 165 N GLU A 11 165.772 -7.811 -1.804 1.00 0.00 N ATOM 166 CA GLU A 11 166.360 -7.521 -3.108 1.00 0.00 C ATOM 167 C GLU A 11 166.705 -6.040 -3.237 1.00 0.00 C ATOM 168 O GLU A 11 166.349 -5.232 -2.379 1.00 0.00 O ATOM 169 CB GLU A 11 165.400 -7.934 -4.228 1.00 0.00 C ATOM 170 CG GLU A 11 165.750 -9.269 -4.866 1.00 0.00 C ATOM 171 CD GLU A 11 164.710 -10.338 -4.595 1.00 0.00 C ATOM 172 OE1 GLU A 11 164.000 -10.231 -3.572 1.00 0.00 O ATOM 173 OE2 GLU A 11 164.605 -11.283 -5.405 1.00 0.00 O ATOM 0 H GLU A 11 164.912 -8.358 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 11 167.281 -8.097 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.388 -7.986 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 11 165.399 -7.162 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 11 165.856 -9.136 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 11 166.716 -9.605 -4.490 1.00 0.00 H new ATOM 180 N ILE A 12 167.399 -5.694 -4.314 1.00 0.00 N ATOM 181 CA ILE A 12 167.794 -4.311 -4.552 1.00 0.00 C ATOM 182 C ILE A 12 166.825 -3.624 -5.508 1.00 0.00 C ATOM 183 O ILE A 12 167.016 -3.646 -6.725 1.00 0.00 O ATOM 184 CB ILE A 12 169.222 -4.223 -5.124 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.181 -5.084 -4.300 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.693 -2.777 -5.150 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.104 -6.560 -4.628 1.00 0.00 C ATOM 0 H ILE A 12 167.699 -6.350 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 12 167.771 -3.802 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 12 169.211 -4.602 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 12 171.201 -4.736 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 12 169.964 -4.944 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.703 -2.731 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.023 -2.187 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.691 -2.375 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.811 -7.108 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 12 169.094 -6.923 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 12 170.351 -6.713 -5.679 1.00 0.00 H new ATOM 199 N THR A 13 165.786 -3.013 -4.949 1.00 0.00 N ATOM 200 CA THR A 13 164.786 -2.317 -5.747 1.00 0.00 C ATOM 201 C THR A 13 165.422 -1.178 -6.541 1.00 0.00 C ATOM 202 O THR A 13 166.477 -0.664 -6.164 1.00 0.00 O ATOM 203 CB THR A 13 163.674 -1.772 -4.848 1.00 0.00 C ATOM 204 OG1 THR A 13 164.099 -0.597 -4.183 1.00 0.00 O ATOM 205 CG2 THR A 13 163.217 -2.756 -3.792 1.00 0.00 C ATOM 0 H THR A 13 165.615 -2.986 -3.944 1.00 0.00 H new ATOM 0 HA THR A 13 164.356 -3.030 -6.450 1.00 0.00 H new ATOM 0 HB THR A 13 162.838 -1.569 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.374 -0.263 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.428 -2.304 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.836 -3.656 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.058 -3.017 -3.150 1.00 0.00 H new ATOM 213 N PRO A 14 164.789 -0.766 -7.653 1.00 0.00 N ATOM 214 CA PRO A 14 165.297 0.316 -8.501 1.00 0.00 C ATOM 215 C PRO A 14 165.644 1.565 -7.698 1.00 0.00 C ATOM 216 O PRO A 14 166.651 2.222 -7.958 1.00 0.00 O ATOM 217 CB PRO A 14 164.140 0.601 -9.472 1.00 0.00 C ATOM 218 CG PRO A 14 162.967 -0.154 -8.940 1.00 0.00 C ATOM 219 CD PRO A 14 163.534 -1.316 -8.177 1.00 0.00 C ATOM 0 HA PRO A 14 166.222 0.033 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.927 1.669 -9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.388 0.276 -10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.357 0.477 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.323 -0.496 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 14 162.868 -1.641 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.706 -2.179 -8.820 1.00 0.00 H new ATOM 227 N ALA A 15 164.803 1.889 -6.720 1.00 0.00 N ATOM 228 CA ALA A 15 165.023 3.059 -5.882 1.00 0.00 C ATOM 229 C ALA A 15 166.214 2.852 -4.951 1.00 0.00 C ATOM 230 O ALA A 15 166.939 3.796 -4.635 1.00 0.00 O ATOM 231 CB ALA A 15 163.770 3.374 -5.077 1.00 0.00 C ATOM 0 H ALA A 15 163.964 1.357 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 15 165.247 3.905 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 15 163.948 4.251 -4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 15 162.942 3.574 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.522 2.523 -4.442 1.00 0.00 H new ATOM 237 N ILE A 16 166.409 1.611 -4.513 1.00 0.00 N ATOM 238 CA ILE A 16 167.511 1.283 -3.618 1.00 0.00 C ATOM 239 C ILE A 16 168.829 1.173 -4.381 1.00 0.00 C ATOM 240 O ILE A 16 169.845 1.727 -3.961 1.00 0.00 O ATOM 241 CB ILE A 16 167.247 -0.037 -2.861 1.00 0.00 C ATOM 242 CG1 ILE A 16 165.973 0.082 -2.023 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.434 -0.399 -1.979 1.00 0.00 C ATOM 244 CD1 ILE A 16 165.452 -1.249 -1.524 1.00 0.00 C ATOM 0 H ILE A 16 165.818 0.818 -4.764 1.00 0.00 H new ATOM 0 HA ILE A 16 167.585 2.096 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 16 167.112 -0.834 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.169 0.730 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.199 0.566 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.227 -1.332 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.323 -0.520 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.603 0.396 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 16 164.547 -1.089 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 16 165.224 -1.892 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.209 -1.725 -0.901 1.00 0.00 H new ATOM 256 N ARG A 17 168.809 0.457 -5.501 1.00 0.00 N ATOM 257 CA ARG A 17 170.011 0.284 -6.311 1.00 0.00 C ATOM 258 C ARG A 17 170.552 1.634 -6.775 1.00 0.00 C ATOM 259 O ARG A 17 171.762 1.819 -6.897 1.00 0.00 O ATOM 260 CB ARG A 17 169.727 -0.627 -7.513 1.00 0.00 C ATOM 261 CG ARG A 17 169.007 0.057 -8.666 1.00 0.00 C ATOM 262 CD ARG A 17 168.956 -0.843 -9.892 1.00 0.00 C ATOM 263 NE ARG A 17 167.812 -0.544 -10.752 1.00 0.00 N ATOM 264 CZ ARG A 17 167.854 0.300 -11.782 1.00 0.00 C ATOM 265 NH1 ARG A 17 168.974 0.951 -12.077 1.00 0.00 N ATOM 266 NH2 ARG A 17 166.768 0.496 -12.520 1.00 0.00 N ATOM 0 H ARG A 17 167.980 -0.010 -5.867 1.00 0.00 H new ATOM 0 HA ARG A 17 170.772 -0.192 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.671 -1.030 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.128 -1.474 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 167.994 0.319 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.516 0.988 -8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 17 169.877 -0.728 -10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 17 168.906 -1.884 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 17 166.927 -1.010 -10.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 169.811 0.807 -11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 17 168.996 1.595 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 17 165.904 0.001 -12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 17 166.797 1.142 -13.309 1.00 0.00 H new ATOM 280 N GLN A 18 169.647 2.573 -7.027 1.00 0.00 N ATOM 281 CA GLN A 18 170.033 3.907 -7.474 1.00 0.00 C ATOM 282 C GLN A 18 170.558 4.738 -6.306 1.00 0.00 C ATOM 283 O GLN A 18 171.499 5.517 -6.460 1.00 0.00 O ATOM 284 CB GLN A 18 168.845 4.613 -8.127 1.00 0.00 C ATOM 285 CG GLN A 18 169.204 5.348 -9.407 1.00 0.00 C ATOM 286 CD GLN A 18 169.787 4.431 -10.462 1.00 0.00 C ATOM 287 OE1 GLN A 18 169.506 3.233 -10.484 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.608 4.989 -11.345 1.00 0.00 N ATOM 0 H GLN A 18 168.641 2.436 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 18 170.830 3.802 -8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.071 3.877 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.420 5.323 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.313 5.833 -9.805 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.921 6.136 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.814 5.986 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.032 4.420 -12.077 1.00 0.00 H new ATOM 297 N HIS A 19 169.940 4.569 -5.141 1.00 0.00 N ATOM 298 CA HIS A 19 170.341 5.306 -3.947 1.00 0.00 C ATOM 299 C HIS A 19 171.776 4.966 -3.551 1.00 0.00 C ATOM 300 O HIS A 19 172.649 5.835 -3.544 1.00 0.00 O ATOM 301 CB HIS A 19 169.390 4.995 -2.787 1.00 0.00 C ATOM 302 CG HIS A 19 168.907 6.216 -2.067 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.072 7.150 -2.643 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.145 6.654 -0.807 1.00 0.00 C ATOM 305 CE1 HIS A 19 167.818 8.109 -1.770 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.457 7.831 -0.650 1.00 0.00 N ATOM 0 H HIS A 19 169.159 3.928 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 19 170.290 6.371 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.530 4.445 -3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 19 169.897 4.341 -2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.761 6.168 -0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.194 8.973 -1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 19 168.442 8.400 0.197 1.00 0.00 H new ATOM 315 N VAL A 20 172.013 3.700 -3.221 1.00 0.00 N ATOM 316 CA VAL A 20 173.342 3.251 -2.824 1.00 0.00 C ATOM 317 C VAL A 20 174.361 3.494 -3.932 1.00 0.00 C ATOM 318 O VAL A 20 175.482 3.931 -3.674 1.00 0.00 O ATOM 319 CB VAL A 20 173.345 1.754 -2.448 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.086 0.882 -3.668 1.00 0.00 C ATOM 321 CG2 VAL A 20 174.659 1.374 -1.782 1.00 0.00 C ATOM 0 H VAL A 20 171.303 2.968 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 20 173.622 3.834 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 20 172.536 1.582 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.094 -0.167 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 20 172.115 1.132 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 20 173.864 1.056 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 20 174.643 0.315 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 175.484 1.568 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 20 174.793 1.966 -0.877 1.00 0.00 H new ATOM 331 N ALA A 21 173.962 3.206 -5.167 1.00 0.00 N ATOM 332 CA ALA A 21 174.838 3.391 -6.319 1.00 0.00 C ATOM 333 C ALA A 21 175.376 4.817 -6.379 1.00 0.00 C ATOM 334 O ALA A 21 176.574 5.031 -6.562 1.00 0.00 O ATOM 335 CB ALA A 21 174.099 3.050 -7.603 1.00 0.00 C ATOM 0 H ALA A 21 173.037 2.843 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 21 175.687 2.716 -6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.764 3.192 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.771 2.011 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.231 3.702 -7.707 1.00 0.00 H new ATOM 341 N ASP A 22 174.484 5.790 -6.224 1.00 0.00 N ATOM 342 CA ASP A 22 174.870 7.196 -6.260 1.00 0.00 C ATOM 343 C ASP A 22 175.883 7.506 -5.162 1.00 0.00 C ATOM 344 O ASP A 22 176.855 8.228 -5.386 1.00 0.00 O ATOM 345 CB ASP A 22 173.639 8.089 -6.103 1.00 0.00 C ATOM 346 CG ASP A 22 173.725 9.343 -6.952 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.432 9.316 -7.981 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.085 10.352 -6.588 1.00 0.00 O ATOM 0 H ASP A 22 173.488 5.630 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 22 175.333 7.398 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.747 7.526 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.527 8.369 -5.056 1.00 0.00 H new ATOM 353 N ARG A 23 175.647 6.955 -3.976 1.00 0.00 N ATOM 354 CA ARG A 23 176.539 7.172 -2.842 1.00 0.00 C ATOM 355 C ARG A 23 177.908 6.552 -3.104 1.00 0.00 C ATOM 356 O ARG A 23 178.940 7.193 -2.903 1.00 0.00 O ATOM 357 CB ARG A 23 175.931 6.578 -1.569 1.00 0.00 C ATOM 358 CG ARG A 23 176.097 7.461 -0.342 1.00 0.00 C ATOM 359 CD ARG A 23 175.552 8.862 -0.577 1.00 0.00 C ATOM 360 NE ARG A 23 174.263 8.845 -1.266 1.00 0.00 N ATOM 361 CZ ARG A 23 173.722 9.911 -1.854 1.00 0.00 C ATOM 362 NH1 ARG A 23 174.354 11.078 -1.837 1.00 0.00 N ATOM 363 NH2 ARG A 23 172.547 9.810 -2.458 1.00 0.00 N ATOM 0 H ARG A 23 174.847 6.356 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 23 176.666 8.246 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 23 174.869 6.397 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.393 5.610 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 23 175.582 7.008 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 23 177.153 7.521 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.444 9.373 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 23 176.269 9.435 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 23 173.748 7.965 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 23 175.258 11.162 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 23 173.936 11.891 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 23 172.056 8.916 -2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 23 172.133 10.626 -2.908 1.00 0.00 H new ATOM 377 N LEU A 24 177.909 5.303 -3.556 1.00 0.00 N ATOM 378 CA LEU A 24 179.150 4.596 -3.848 1.00 0.00 C ATOM 379 C LEU A 24 179.935 5.304 -4.947 1.00 0.00 C ATOM 380 O LEU A 24 181.163 5.224 -4.997 1.00 0.00 O ATOM 381 CB LEU A 24 178.853 3.153 -4.263 1.00 0.00 C ATOM 382 CG LEU A 24 180.085 2.276 -4.486 1.00 0.00 C ATOM 383 CD1 LEU A 24 180.719 1.899 -3.157 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.716 1.030 -5.277 1.00 0.00 C ATOM 0 H LEU A 24 177.064 4.759 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 24 179.757 4.589 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.232 2.691 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.266 3.169 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 24 180.814 2.845 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.594 1.275 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.020 2.803 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 24 179.998 1.348 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.605 0.417 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 178.969 0.458 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 24 179.309 1.321 -6.245 1.00 0.00 H new ATOM 396 N ALA A 25 179.219 5.994 -5.829 1.00 0.00 N ATOM 397 CA ALA A 25 179.849 6.716 -6.928 1.00 0.00 C ATOM 398 C ALA A 25 180.674 7.890 -6.412 1.00 0.00 C ATOM 399 O ALA A 25 181.860 8.010 -6.717 1.00 0.00 O ATOM 400 CB ALA A 25 178.797 7.200 -7.913 1.00 0.00 C ATOM 0 H ALA A 25 178.202 6.068 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 25 180.523 6.030 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.282 7.737 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.254 6.345 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.100 7.866 -7.403 1.00 0.00 H new ATOM 406 N LYS A 26 180.037 8.756 -5.630 1.00 0.00 N ATOM 407 CA LYS A 26 180.711 9.922 -5.071 1.00 0.00 C ATOM 408 C LYS A 26 181.887 9.504 -4.191 1.00 0.00 C ATOM 409 O LYS A 26 182.858 10.246 -4.043 1.00 0.00 O ATOM 410 CB LYS A 26 179.726 10.768 -4.261 1.00 0.00 C ATOM 411 CG LYS A 26 179.059 11.865 -5.071 1.00 0.00 C ATOM 412 CD LYS A 26 177.970 12.563 -4.273 1.00 0.00 C ATOM 413 CE LYS A 26 178.483 13.840 -3.629 1.00 0.00 C ATOM 414 NZ LYS A 26 179.791 13.634 -2.948 1.00 0.00 N ATOM 0 H LYS A 26 179.055 8.672 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 26 181.096 10.518 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.957 10.117 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.253 11.218 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.807 12.594 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 26 178.631 11.439 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 26 177.131 12.796 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.595 11.890 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 178.588 14.613 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 26 177.751 14.201 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 180.040 14.488 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 179.721 12.824 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 180.527 13.446 -3.659 1.00 0.00 H new ATOM 428 N LEU A 27 181.790 8.312 -3.608 1.00 0.00 N ATOM 429 CA LEU A 27 182.846 7.796 -2.741 1.00 0.00 C ATOM 430 C LEU A 27 184.187 7.764 -3.471 1.00 0.00 C ATOM 431 O LEU A 27 185.245 7.826 -2.846 1.00 0.00 O ATOM 432 CB LEU A 27 182.487 6.393 -2.247 1.00 0.00 C ATOM 433 CG LEU A 27 181.757 6.347 -0.905 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.046 5.014 -0.729 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.730 6.589 0.239 1.00 0.00 C ATOM 0 H LEU A 27 180.992 7.686 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 27 182.937 8.464 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.864 5.908 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.403 5.808 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 27 181.008 7.139 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 27 180.532 5.000 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.320 4.880 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.776 4.205 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 182.193 6.553 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 27 183.502 5.819 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 27 183.193 7.569 0.122 1.00 0.00 H new ATOM 447 N GLU A 28 184.135 7.667 -4.796 1.00 0.00 N ATOM 448 CA GLU A 28 185.346 7.627 -5.608 1.00 0.00 C ATOM 449 C GLU A 28 186.158 8.915 -5.461 1.00 0.00 C ATOM 450 O GLU A 28 187.338 8.954 -5.808 1.00 0.00 O ATOM 451 CB GLU A 28 184.990 7.400 -7.078 1.00 0.00 C ATOM 452 CG GLU A 28 185.877 6.377 -7.767 1.00 0.00 C ATOM 453 CD GLU A 28 185.394 6.034 -9.163 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.199 6.259 -9.451 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.211 5.540 -9.970 1.00 0.00 O ATOM 0 H GLU A 28 183.267 7.615 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 28 185.958 6.798 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.952 7.073 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 28 185.061 8.348 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.895 6.763 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.913 5.469 -7.165 1.00 0.00 H new ATOM 462 N LYS A 29 185.520 9.966 -4.951 1.00 0.00 N ATOM 463 CA LYS A 29 186.192 11.249 -4.770 1.00 0.00 C ATOM 464 C LYS A 29 186.724 11.403 -3.347 1.00 0.00 C ATOM 465 O LYS A 29 186.867 12.519 -2.847 1.00 0.00 O ATOM 466 CB LYS A 29 185.233 12.398 -5.092 1.00 0.00 C ATOM 467 CG LYS A 29 185.923 13.615 -5.687 1.00 0.00 C ATOM 468 CD LYS A 29 185.438 14.904 -5.042 1.00 0.00 C ATOM 469 CE LYS A 29 183.953 15.119 -5.278 1.00 0.00 C ATOM 470 NZ LYS A 29 183.516 16.480 -4.861 1.00 0.00 N ATOM 0 H LYS A 29 184.543 9.954 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 29 187.039 11.281 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.474 12.043 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.714 12.694 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 187.001 13.524 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.736 13.652 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.637 14.873 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 29 185.998 15.748 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.729 14.973 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 29 183.385 14.370 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 182.497 16.587 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 183.707 16.610 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.039 17.195 -5.406 1.00 0.00 H new ATOM 484 N TRP A 30 187.021 10.280 -2.697 1.00 0.00 N ATOM 485 CA TRP A 30 187.540 10.303 -1.334 1.00 0.00 C ATOM 486 C TRP A 30 189.010 9.892 -1.307 1.00 0.00 C ATOM 487 O TRP A 30 189.459 9.209 -0.387 1.00 0.00 O ATOM 488 CB TRP A 30 186.718 9.379 -0.434 1.00 0.00 C ATOM 489 CG TRP A 30 185.651 10.097 0.333 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.345 10.258 -0.034 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.796 10.754 1.598 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.671 10.972 0.925 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.539 11.290 1.937 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.868 10.940 2.476 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.327 11.998 3.117 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.655 11.644 3.645 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.392 12.165 3.958 1.00 0.00 C ATOM 0 H TRP A 30 186.911 9.346 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 30 187.460 11.323 -0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.257 8.603 -1.045 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.385 8.878 0.267 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.907 9.879 -0.945 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.684 11.225 0.890 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.844 10.541 2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.355 12.401 3.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.476 11.796 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.257 12.709 4.881 1.00 0.00 H new ATOM 508 N GLN A 31 189.755 10.307 -2.328 1.00 0.00 N ATOM 509 CA GLN A 31 191.180 9.987 -2.432 1.00 0.00 C ATOM 510 C GLN A 31 191.472 8.518 -2.106 1.00 0.00 C ATOM 511 O GLN A 31 192.609 8.161 -1.796 1.00 0.00 O ATOM 512 CB GLN A 31 191.991 10.894 -1.504 1.00 0.00 C ATOM 513 CG GLN A 31 193.393 11.186 -2.012 1.00 0.00 C ATOM 514 CD GLN A 31 193.524 12.579 -2.596 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.233 13.428 -2.055 1.00 0.00 O ATOM 516 NE2 GLN A 31 192.841 12.820 -3.709 1.00 0.00 N ATOM 0 H GLN A 31 189.395 10.869 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 31 191.474 10.158 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.458 11.836 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 31 192.059 10.427 -0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 31 194.103 11.071 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.661 10.451 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 31 192.266 12.087 -4.123 1.00 0.00 H new ATOM 0 HE22 GLN A 31 192.892 13.738 -4.150 1.00 0.00 H new ATOM 525 N THR A 32 190.448 7.671 -2.176 1.00 0.00 N ATOM 526 CA THR A 32 190.612 6.251 -1.889 1.00 0.00 C ATOM 527 C THR A 32 190.445 5.421 -3.160 1.00 0.00 C ATOM 528 O THR A 32 189.938 5.909 -4.169 1.00 0.00 O ATOM 529 CB THR A 32 189.604 5.808 -0.827 1.00 0.00 C ATOM 530 OG1 THR A 32 189.714 4.418 -0.577 1.00 0.00 O ATOM 531 CG2 THR A 32 188.169 6.098 -1.206 1.00 0.00 C ATOM 0 H THR A 32 189.498 7.944 -2.429 1.00 0.00 H new ATOM 0 HA THR A 32 191.620 6.090 -1.506 1.00 0.00 H new ATOM 0 HB THR A 32 189.850 6.387 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.062 4.156 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.507 5.759 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.041 7.171 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.924 5.574 -2.130 1.00 0.00 H new ATOM 539 N HIS A 33 190.890 4.167 -3.110 1.00 0.00 N ATOM 540 CA HIS A 33 190.799 3.281 -4.265 1.00 0.00 C ATOM 541 C HIS A 33 189.579 2.365 -4.179 1.00 0.00 C ATOM 542 O HIS A 33 188.739 2.355 -5.078 1.00 0.00 O ATOM 543 CB HIS A 33 192.070 2.433 -4.378 1.00 0.00 C ATOM 544 CG HIS A 33 193.330 3.240 -4.443 1.00 0.00 C ATOM 545 ND1 HIS A 33 193.577 4.530 -4.112 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 194.529 2.726 -4.890 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 194.905 4.768 -4.362 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 195.457 3.664 -4.829 1.00 0.00 N flip ATOM 0 H HIS A 33 191.315 3.744 -2.285 1.00 0.00 H new ATOM 0 HA HIS A 33 190.692 3.906 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 33 192.124 1.760 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.002 1.810 -5.270 1.00 0.00 H new ATOM 0 HD2 HIS A 33 194.685 1.715 -5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 33 195.416 5.706 -4.203 1.00 0.00 H new ATOM 0 HE2 HIS A 33 196.435 3.554 -5.097 1.00 0.00 H new ATOM 557 N LEU A 34 189.499 1.585 -3.104 1.00 0.00 N ATOM 558 CA LEU A 34 188.393 0.652 -2.912 1.00 0.00 C ATOM 559 C LEU A 34 188.410 -0.420 -3.997 1.00 0.00 C ATOM 560 O LEU A 34 188.439 -0.109 -5.188 1.00 0.00 O ATOM 561 CB LEU A 34 187.045 1.389 -2.925 1.00 0.00 C ATOM 562 CG LEU A 34 186.528 1.863 -1.560 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.822 0.840 -0.474 1.00 0.00 C ATOM 564 CD2 LEU A 34 187.131 3.211 -1.199 1.00 0.00 C ATOM 0 H LEU A 34 190.188 1.581 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 34 188.517 0.176 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 34 187.133 2.256 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.297 0.731 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 34 185.446 1.974 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.444 1.204 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.335 -0.103 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.898 0.685 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.753 3.531 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 34 188.217 3.124 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.857 3.947 -1.955 1.00 0.00 H new ATOM 576 N ILE A 35 188.407 -1.684 -3.581 1.00 0.00 N ATOM 577 CA ILE A 35 188.436 -2.796 -4.526 1.00 0.00 C ATOM 578 C ILE A 35 187.173 -3.651 -4.428 1.00 0.00 C ATOM 579 O ILE A 35 186.458 -3.831 -5.413 1.00 0.00 O ATOM 580 CB ILE A 35 189.667 -3.702 -4.305 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.814 -2.915 -3.662 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.115 -4.315 -5.622 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.211 -1.679 -4.440 1.00 0.00 C ATOM 0 H ILE A 35 188.385 -1.963 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 35 188.493 -2.350 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 35 189.383 -4.505 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.522 -2.621 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.682 -3.567 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 35 190.983 -4.951 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.305 -4.912 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.379 -3.522 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.028 -1.172 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.535 -1.967 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.357 -1.006 -4.515 1.00 0.00 H new ATOM 595 N ASN A 36 186.912 -4.183 -3.238 1.00 0.00 N ATOM 596 CA ASN A 36 185.742 -5.028 -3.020 1.00 0.00 C ATOM 597 C ASN A 36 184.695 -4.323 -2.156 1.00 0.00 C ATOM 598 O ASN A 36 184.489 -4.686 -0.997 1.00 0.00 O ATOM 599 CB ASN A 36 186.162 -6.349 -2.365 1.00 0.00 C ATOM 600 CG ASN A 36 184.999 -7.249 -2.014 1.00 0.00 C ATOM 601 OD1 ASN A 36 183.866 -7.044 -2.658 1.00 0.00 O flip ATOM 602 ND2 ASN A 36 185.122 -8.129 -1.164 1.00 0.00 N flip ATOM 0 H ASN A 36 187.493 -4.045 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 36 185.291 -5.233 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.832 -6.882 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.728 -6.132 -1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.015 -8.257 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 36 184.331 -8.731 -0.935 1.00 0.00 H new ATOM 609 N PRO A 37 184.009 -3.310 -2.713 1.00 0.00 N ATOM 610 CA PRO A 37 182.975 -2.564 -1.990 1.00 0.00 C ATOM 611 C PRO A 37 181.705 -3.389 -1.790 1.00 0.00 C ATOM 612 O PRO A 37 180.783 -3.332 -2.604 1.00 0.00 O ATOM 613 CB PRO A 37 182.696 -1.371 -2.904 1.00 0.00 C ATOM 614 CG PRO A 37 183.036 -1.860 -4.269 1.00 0.00 C ATOM 615 CD PRO A 37 184.185 -2.815 -4.092 1.00 0.00 C ATOM 0 HA PRO A 37 183.297 -2.284 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.653 -1.059 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.304 -0.509 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.182 -2.357 -4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.313 -1.033 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.148 -3.627 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.146 -2.316 -4.220 1.00 0.00 H new ATOM 623 N HIS A 38 181.667 -4.157 -0.705 1.00 0.00 N ATOM 624 CA HIS A 38 180.512 -4.997 -0.400 1.00 0.00 C ATOM 625 C HIS A 38 179.396 -4.180 0.248 1.00 0.00 C ATOM 626 O HIS A 38 179.649 -3.346 1.116 1.00 0.00 O ATOM 627 CB HIS A 38 180.923 -6.146 0.524 1.00 0.00 C ATOM 628 CG HIS A 38 180.754 -7.499 -0.095 1.00 0.00 C ATOM 629 ND1 HIS A 38 179.740 -8.019 -0.826 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 181.702 -8.497 0.005 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.091 -9.307 -1.150 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.279 -9.570 -0.637 1.00 0.00 N flip ATOM 0 H HIS A 38 182.422 -4.215 -0.022 1.00 0.00 H new ATOM 0 HA HIS A 38 180.136 -5.408 -1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.966 -6.015 0.812 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.331 -6.097 1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 38 182.644 -8.413 0.527 1.00 0.00 H new ATOM 0 HE1 HIS A 38 179.492 -9.993 -1.730 1.00 0.00 H new ATOM 0 HE2 HIS A 38 181.784 -10.452 -0.722 1.00 0.00 H new ATOM 641 N ILE A 39 178.160 -4.431 -0.180 1.00 0.00 N ATOM 642 CA ILE A 39 177.006 -3.722 0.358 1.00 0.00 C ATOM 643 C ILE A 39 175.845 -4.674 0.627 1.00 0.00 C ATOM 644 O ILE A 39 175.091 -5.021 -0.283 1.00 0.00 O ATOM 645 CB ILE A 39 176.527 -2.612 -0.599 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.716 -1.782 -1.096 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.496 -1.726 0.090 1.00 0.00 C ATOM 648 CD1 ILE A 39 178.273 -0.826 -0.063 1.00 0.00 C ATOM 0 H ILE A 39 177.935 -5.120 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 39 177.329 -3.271 1.296 1.00 0.00 H new ATOM 0 HB ILE A 39 176.054 -3.077 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.509 -2.458 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.408 -1.214 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 39 175.167 -0.947 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.640 -2.330 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.942 -1.266 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 39 179.111 -0.276 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.496 -0.125 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.614 -1.388 0.806 1.00 0.00 H new ATOM 660 N ILE A 40 175.702 -5.087 1.881 1.00 0.00 N ATOM 661 CA ILE A 40 174.628 -5.993 2.271 1.00 0.00 C ATOM 662 C ILE A 40 173.428 -5.213 2.796 1.00 0.00 C ATOM 663 O ILE A 40 173.446 -4.709 3.919 1.00 0.00 O ATOM 664 CB ILE A 40 175.095 -6.986 3.355 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.398 -7.668 2.928 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.014 -8.021 3.630 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.440 -7.720 4.025 1.00 0.00 C ATOM 0 H ILE A 40 176.317 -4.809 2.646 1.00 0.00 H new ATOM 0 HA ILE A 40 174.340 -6.552 1.380 1.00 0.00 H new ATOM 0 HB ILE A 40 175.282 -6.432 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.177 -8.684 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.812 -7.139 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.360 -8.714 4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.110 -7.520 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.797 -8.572 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.336 -8.216 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.690 -6.706 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.045 -8.275 4.876 1.00 0.00 H new ATOM 679 N LEU A 41 172.385 -5.110 1.978 1.00 0.00 N ATOM 680 CA LEU A 41 171.182 -4.384 2.364 1.00 0.00 C ATOM 681 C LEU A 41 170.030 -5.343 2.647 1.00 0.00 C ATOM 682 O LEU A 41 169.374 -5.831 1.727 1.00 0.00 O ATOM 683 CB LEU A 41 170.785 -3.400 1.260 1.00 0.00 C ATOM 684 CG LEU A 41 169.465 -2.660 1.493 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.675 -1.155 1.425 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.421 -3.103 0.479 1.00 0.00 C ATOM 0 H LEU A 41 172.350 -5.520 1.045 1.00 0.00 H new ATOM 0 HA LEU A 41 171.398 -3.831 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.581 -2.664 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.717 -3.943 0.318 1.00 0.00 H new ATOM 0 HG LEU A 41 169.102 -2.908 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.725 -0.647 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.389 -0.852 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 41 170.061 -0.886 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.489 -2.567 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.776 -2.885 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.249 -4.175 0.579 1.00 0.00 H new ATOM 698 N SER A 42 169.791 -5.610 3.928 1.00 0.00 N ATOM 699 CA SER A 42 168.717 -6.510 4.335 1.00 0.00 C ATOM 700 C SER A 42 167.612 -5.744 5.059 1.00 0.00 C ATOM 701 O SER A 42 167.775 -4.573 5.399 1.00 0.00 O ATOM 702 CB SER A 42 169.268 -7.614 5.238 1.00 0.00 C ATOM 703 OG SER A 42 169.958 -8.595 4.481 1.00 0.00 O ATOM 0 H SER A 42 170.327 -5.216 4.701 1.00 0.00 H new ATOM 0 HA SER A 42 168.292 -6.962 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.941 -7.181 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.450 -8.082 5.786 1.00 0.00 H new ATOM 0 HG SER A 42 170.436 -9.199 5.087 1.00 0.00 H new ATOM 709 N LYS A 43 166.490 -6.415 5.295 1.00 0.00 N ATOM 710 CA LYS A 43 165.361 -5.796 5.979 1.00 0.00 C ATOM 711 C LYS A 43 165.107 -6.464 7.328 1.00 0.00 C ATOM 712 O LYS A 43 164.720 -7.631 7.393 1.00 0.00 O ATOM 713 CB LYS A 43 164.102 -5.870 5.111 1.00 0.00 C ATOM 714 CG LYS A 43 163.385 -4.538 4.970 1.00 0.00 C ATOM 715 CD LYS A 43 162.135 -4.477 5.834 1.00 0.00 C ATOM 716 CE LYS A 43 161.262 -3.286 5.470 1.00 0.00 C ATOM 717 NZ LYS A 43 161.631 -2.069 6.241 1.00 0.00 N ATOM 0 H LYS A 43 166.338 -7.386 5.023 1.00 0.00 H new ATOM 0 HA LYS A 43 165.608 -4.749 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.374 -6.234 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.416 -6.599 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 164.061 -3.730 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 163.114 -4.380 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.564 -5.398 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 43 162.420 -4.413 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 43 161.354 -3.081 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.217 -3.531 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.940 -1.315 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.633 -2.289 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 162.578 -1.750 5.954 1.00 0.00 H new ATOM 731 N GLU A 44 165.328 -5.714 8.403 1.00 0.00 N ATOM 732 CA GLU A 44 165.123 -6.227 9.752 1.00 0.00 C ATOM 733 C GLU A 44 163.783 -5.744 10.312 1.00 0.00 C ATOM 734 O GLU A 44 163.397 -4.593 10.114 1.00 0.00 O ATOM 735 CB GLU A 44 166.279 -5.786 10.659 1.00 0.00 C ATOM 736 CG GLU A 44 166.012 -5.946 12.151 1.00 0.00 C ATOM 737 CD GLU A 44 167.062 -6.793 12.844 1.00 0.00 C ATOM 738 OE1 GLU A 44 167.102 -8.016 12.590 1.00 0.00 O ATOM 739 OE2 GLU A 44 167.844 -6.234 13.641 1.00 0.00 O ATOM 0 H GLU A 44 165.650 -4.747 8.365 1.00 0.00 H new ATOM 0 HA GLU A 44 165.102 -7.316 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 44 167.167 -6.361 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 44 166.505 -4.740 10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 44 165.978 -4.962 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 44 165.032 -6.400 12.294 1.00 0.00 H new ATOM 746 N PRO A 45 163.052 -6.622 11.021 1.00 0.00 N ATOM 747 CA PRO A 45 161.754 -6.282 11.606 1.00 0.00 C ATOM 748 C PRO A 45 161.716 -4.882 12.213 1.00 0.00 C ATOM 749 O PRO A 45 160.727 -4.163 12.073 1.00 0.00 O ATOM 750 CB PRO A 45 161.600 -7.336 12.697 1.00 0.00 C ATOM 751 CG PRO A 45 162.288 -8.538 12.150 1.00 0.00 C ATOM 752 CD PRO A 45 163.428 -8.024 11.307 1.00 0.00 C ATOM 0 HA PRO A 45 160.959 -6.275 10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 45 162.054 -7.009 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.550 -7.540 12.907 1.00 0.00 H new ATOM 0 HG2 PRO A 45 162.655 -9.176 12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 45 161.603 -9.140 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.377 -8.083 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.540 -8.603 10.390 1.00 0.00 H new ATOM 760 N GLN A 46 162.787 -4.508 12.906 1.00 0.00 N ATOM 761 CA GLN A 46 162.856 -3.202 13.552 1.00 0.00 C ATOM 762 C GLN A 46 163.685 -2.203 12.748 1.00 0.00 C ATOM 763 O GLN A 46 164.336 -1.330 13.323 1.00 0.00 O ATOM 764 CB GLN A 46 163.439 -3.346 14.959 1.00 0.00 C ATOM 765 CG GLN A 46 162.994 -2.251 15.914 1.00 0.00 C ATOM 766 CD GLN A 46 162.169 -2.782 17.071 1.00 0.00 C ATOM 767 OE1 GLN A 46 162.328 -2.346 18.212 1.00 0.00 O ATOM 768 NE2 GLN A 46 161.282 -3.726 16.782 1.00 0.00 N ATOM 0 H GLN A 46 163.616 -5.088 13.034 1.00 0.00 H new ATOM 0 HA GLN A 46 161.839 -2.813 13.610 1.00 0.00 H new ATOM 0 HB2 GLN A 46 163.148 -4.314 15.367 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.527 -3.341 14.895 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.872 -1.737 16.305 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.410 -1.512 15.366 1.00 0.00 H new ATOM 0 HE21 GLN A 46 161.184 -4.057 15.822 1.00 0.00 H new ATOM 0 HE22 GLN A 46 160.698 -4.120 17.520 1.00 0.00 H new ATOM 777 N GLY A 47 163.651 -2.317 11.423 1.00 0.00 N ATOM 778 CA GLY A 47 164.400 -1.391 10.588 1.00 0.00 C ATOM 779 C GLY A 47 165.257 -2.076 9.540 1.00 0.00 C ATOM 780 O GLY A 47 165.238 -3.297 9.407 1.00 0.00 O ATOM 0 H GLY A 47 163.123 -3.027 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.702 -0.717 10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.039 -0.777 11.223 1.00 0.00 H new ATOM 784 N PHE A 48 166.007 -1.276 8.793 1.00 0.00 N ATOM 785 CA PHE A 48 166.879 -1.790 7.744 1.00 0.00 C ATOM 786 C PHE A 48 168.289 -2.021 8.273 1.00 0.00 C ATOM 787 O PHE A 48 168.814 -1.206 9.032 1.00 0.00 O ATOM 788 CB PHE A 48 166.930 -0.807 6.574 1.00 0.00 C ATOM 789 CG PHE A 48 166.334 -1.343 5.307 1.00 0.00 C ATOM 790 CD1 PHE A 48 167.093 -2.102 4.433 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.015 -1.079 4.986 1.00 0.00 C ATOM 792 CE1 PHE A 48 166.549 -2.586 3.262 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.464 -1.559 3.815 1.00 0.00 C ATOM 794 CZ PHE A 48 165.232 -2.312 2.950 1.00 0.00 C ATOM 0 H PHE A 48 166.029 -0.261 8.895 1.00 0.00 H new ATOM 0 HA PHE A 48 166.472 -2.742 7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.403 0.105 6.855 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.968 -0.531 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 48 168.124 -2.318 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 48 164.409 -0.491 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 48 167.152 -3.178 2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.433 -1.346 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.804 -2.686 2.032 1.00 0.00 H new ATOM 804 N VAL A 49 168.894 -3.130 7.859 1.00 0.00 N ATOM 805 CA VAL A 49 170.247 -3.472 8.282 1.00 0.00 C ATOM 806 C VAL A 49 171.226 -3.359 7.119 1.00 0.00 C ATOM 807 O VAL A 49 171.496 -4.338 6.426 1.00 0.00 O ATOM 808 CB VAL A 49 170.311 -4.900 8.852 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.686 -5.182 9.439 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.226 -5.099 9.896 1.00 0.00 C ATOM 0 H VAL A 49 168.467 -3.809 7.229 1.00 0.00 H new ATOM 0 HA VAL A 49 170.526 -2.764 9.062 1.00 0.00 H new ATOM 0 HB VAL A 49 170.140 -5.607 8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.711 -6.197 9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.442 -5.079 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.892 -4.473 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.283 -6.113 10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.367 -4.385 10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.249 -4.941 9.440 1.00 0.00 H new ATOM 820 N ALA A 50 171.754 -2.158 6.914 1.00 0.00 N ATOM 821 CA ALA A 50 172.704 -1.916 5.835 1.00 0.00 C ATOM 822 C ALA A 50 174.120 -2.297 6.254 1.00 0.00 C ATOM 823 O ALA A 50 174.848 -1.484 6.823 1.00 0.00 O ATOM 824 CB ALA A 50 172.654 -0.458 5.404 1.00 0.00 C ATOM 0 H ALA A 50 171.540 -1.337 7.480 1.00 0.00 H new ATOM 0 HA ALA A 50 172.422 -2.543 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.369 -0.292 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.650 -0.216 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.907 0.180 6.250 1.00 0.00 H new ATOM 830 N ASP A 51 174.504 -3.536 5.968 1.00 0.00 N ATOM 831 CA ASP A 51 175.833 -4.022 6.315 1.00 0.00 C ATOM 832 C ASP A 51 176.767 -3.944 5.113 1.00 0.00 C ATOM 833 O ASP A 51 176.907 -4.905 4.356 1.00 0.00 O ATOM 834 CB ASP A 51 175.755 -5.464 6.828 1.00 0.00 C ATOM 835 CG ASP A 51 176.091 -5.571 8.303 1.00 0.00 C ATOM 836 OD1 ASP A 51 177.253 -5.295 8.668 1.00 0.00 O ATOM 837 OD2 ASP A 51 175.191 -5.928 9.092 1.00 0.00 O ATOM 0 H ASP A 51 173.914 -4.221 5.497 1.00 0.00 H new ATOM 0 HA ASP A 51 176.233 -3.387 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.751 -5.854 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.441 -6.088 6.255 1.00 0.00 H new ATOM 842 N ALA A 52 177.404 -2.791 4.942 1.00 0.00 N ATOM 843 CA ALA A 52 178.324 -2.581 3.830 1.00 0.00 C ATOM 844 C ALA A 52 179.775 -2.698 4.288 1.00 0.00 C ATOM 845 O ALA A 52 180.164 -2.120 5.301 1.00 0.00 O ATOM 846 CB ALA A 52 178.074 -1.221 3.196 1.00 0.00 C ATOM 0 H ALA A 52 177.300 -1.986 5.560 1.00 0.00 H new ATOM 0 HA ALA A 52 178.145 -3.357 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.766 -1.073 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.050 -1.175 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.227 -0.439 3.940 1.00 0.00 H new ATOM 852 N THR A 53 180.568 -3.446 3.530 1.00 0.00 N ATOM 853 CA THR A 53 181.977 -3.637 3.853 1.00 0.00 C ATOM 854 C THR A 53 182.854 -3.247 2.669 1.00 0.00 C ATOM 855 O THR A 53 183.016 -4.017 1.723 1.00 0.00 O ATOM 856 CB THR A 53 182.241 -5.093 4.241 1.00 0.00 C ATOM 857 OG1 THR A 53 181.313 -5.526 5.220 1.00 0.00 O ATOM 858 CG2 THR A 53 183.632 -5.322 4.791 1.00 0.00 C ATOM 0 H THR A 53 180.259 -3.930 2.687 1.00 0.00 H new ATOM 0 HA THR A 53 182.225 -2.996 4.699 1.00 0.00 H new ATOM 0 HB THR A 53 182.135 -5.663 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.496 -6.460 5.454 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.754 -6.375 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.371 -5.043 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.775 -4.713 5.684 1.00 0.00 H new ATOM 866 N ILE A 54 183.417 -2.046 2.729 1.00 0.00 N ATOM 867 CA ILE A 54 184.276 -1.552 1.659 1.00 0.00 C ATOM 868 C ILE A 54 185.747 -1.692 2.038 1.00 0.00 C ATOM 869 O ILE A 54 186.164 -1.264 3.114 1.00 0.00 O ATOM 870 CB ILE A 54 183.980 -0.075 1.310 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.655 0.384 1.932 1.00 0.00 C ATOM 872 CG2 ILE A 54 183.946 0.113 -0.200 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.271 1.802 1.562 1.00 0.00 C ATOM 0 H ILE A 54 183.295 -1.397 3.506 1.00 0.00 H new ATOM 0 HA ILE A 54 184.063 -2.161 0.781 1.00 0.00 H new ATOM 0 HB ILE A 54 184.780 0.538 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.861 -0.293 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.727 0.307 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.737 1.157 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 54 184.911 -0.166 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.166 -0.517 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.324 2.058 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 183.046 2.489 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.167 1.880 0.480 1.00 0.00 H new ATOM 885 N ASN A 55 186.528 -2.301 1.150 1.00 0.00 N ATOM 886 CA ASN A 55 187.950 -2.504 1.399 1.00 0.00 C ATOM 887 C ASN A 55 188.788 -1.401 0.760 1.00 0.00 C ATOM 888 O ASN A 55 189.014 -1.403 -0.450 1.00 0.00 O ATOM 889 CB ASN A 55 188.392 -3.868 0.866 1.00 0.00 C ATOM 890 CG ASN A 55 189.311 -4.594 1.828 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.057 -5.738 2.204 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.388 -3.930 2.232 1.00 0.00 N ATOM 0 H ASN A 55 186.200 -2.661 0.254 1.00 0.00 H new ATOM 0 HA ASN A 55 188.108 -2.470 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.512 -4.483 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.902 -3.734 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.044 -4.367 2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.559 -2.983 1.895 1.00 0.00 H new ATOM 899 N THR A 56 189.248 -0.467 1.584 1.00 0.00 N ATOM 900 CA THR A 56 190.070 0.643 1.107 1.00 0.00 C ATOM 901 C THR A 56 191.555 0.292 1.212 1.00 0.00 C ATOM 902 O THR A 56 191.924 -0.660 1.901 1.00 0.00 O ATOM 903 CB THR A 56 189.766 1.921 1.904 1.00 0.00 C ATOM 904 OG1 THR A 56 190.726 2.123 2.926 1.00 0.00 O ATOM 905 CG2 THR A 56 188.399 1.918 2.558 1.00 0.00 C ATOM 0 H THR A 56 189.066 -0.455 2.588 1.00 0.00 H new ATOM 0 HA THR A 56 189.829 0.823 0.059 1.00 0.00 H new ATOM 0 HB THR A 56 189.797 2.724 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.512 2.943 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.254 2.851 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.629 1.822 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.329 1.079 3.250 1.00 0.00 H new ATOM 913 N PRO A 57 192.432 1.053 0.536 1.00 0.00 N ATOM 914 CA PRO A 57 193.877 0.805 0.567 1.00 0.00 C ATOM 915 C PRO A 57 194.464 0.945 1.970 1.00 0.00 C ATOM 916 O PRO A 57 195.576 0.490 2.235 1.00 0.00 O ATOM 917 CB PRO A 57 194.454 1.879 -0.362 1.00 0.00 C ATOM 918 CG PRO A 57 193.402 2.931 -0.442 1.00 0.00 C ATOM 919 CD PRO A 57 192.091 2.213 -0.306 1.00 0.00 C ATOM 0 HA PRO A 57 194.115 -0.213 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.386 2.283 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.677 1.469 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.527 3.669 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.457 3.467 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.333 2.842 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.697 1.906 -1.275 1.00 0.00 H new ATOM 927 N ASN A 58 193.708 1.574 2.866 1.00 0.00 N ATOM 928 CA ASN A 58 194.157 1.768 4.240 1.00 0.00 C ATOM 929 C ASN A 58 193.540 0.729 5.170 1.00 0.00 C ATOM 930 O ASN A 58 194.088 0.431 6.232 1.00 0.00 O ATOM 931 CB ASN A 58 193.795 3.177 4.719 1.00 0.00 C ATOM 932 CG ASN A 58 194.287 3.450 6.126 1.00 0.00 C ATOM 933 OD1 ASN A 58 193.386 3.353 7.099 1.00 0.00 O flip ATOM 934 ND2 ASN A 58 195.462 3.747 6.339 1.00 0.00 N flip ATOM 0 H ASN A 58 192.784 1.957 2.665 1.00 0.00 H new ATOM 0 HA ASN A 58 195.240 1.648 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 58 194.224 3.911 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.713 3.304 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.121 3.810 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.777 3.930 7.292 1.00 0.00 H new ATOM 941 N GLY A 59 192.396 0.177 4.769 1.00 0.00 N ATOM 942 CA GLY A 59 191.731 -0.823 5.586 1.00 0.00 C ATOM 943 C GLY A 59 190.390 -1.240 5.014 1.00 0.00 C ATOM 944 O GLY A 59 190.222 -1.306 3.798 1.00 0.00 O ATOM 0 H GLY A 59 191.920 0.404 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.373 -1.700 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.587 -0.429 6.592 1.00 0.00 H new ATOM 948 N VAL A 60 189.434 -1.522 5.894 1.00 0.00 N ATOM 949 CA VAL A 60 188.101 -1.935 5.470 1.00 0.00 C ATOM 950 C VAL A 60 187.028 -1.103 6.163 1.00 0.00 C ATOM 951 O VAL A 60 186.687 -1.349 7.320 1.00 0.00 O ATOM 952 CB VAL A 60 187.850 -3.427 5.764 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.514 -3.871 5.188 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.984 -4.280 5.214 1.00 0.00 C ATOM 0 H VAL A 60 189.558 -1.472 6.905 1.00 0.00 H new ATOM 0 HA VAL A 60 188.047 -1.775 4.393 1.00 0.00 H new ATOM 0 HB VAL A 60 187.816 -3.561 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.356 -4.927 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.712 -3.284 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.515 -3.720 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.788 -5.330 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 60 189.054 -4.140 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.923 -3.982 5.681 1.00 0.00 H new ATOM 964 N LEU A 61 186.500 -0.115 5.448 1.00 0.00 N ATOM 965 CA LEU A 61 185.465 0.755 5.992 1.00 0.00 C ATOM 966 C LEU A 61 184.117 0.044 6.019 1.00 0.00 C ATOM 967 O LEU A 61 183.536 -0.244 4.975 1.00 0.00 O ATOM 968 CB LEU A 61 185.363 2.039 5.159 1.00 0.00 C ATOM 969 CG LEU A 61 186.338 3.161 5.539 1.00 0.00 C ATOM 970 CD1 LEU A 61 185.660 4.172 6.450 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.590 2.602 6.203 1.00 0.00 C ATOM 0 H LEU A 61 186.773 0.103 4.490 1.00 0.00 H new ATOM 0 HA LEU A 61 185.739 1.013 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.523 1.784 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.346 2.423 5.242 1.00 0.00 H new ATOM 0 HG LEU A 61 186.640 3.666 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.367 4.960 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.803 4.608 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.323 3.674 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 61 188.262 3.421 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.312 2.062 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 61 188.094 1.922 5.516 1.00 0.00 H new ATOM 983 N VAL A 62 183.628 -0.242 7.221 1.00 0.00 N ATOM 984 CA VAL A 62 182.349 -0.923 7.379 1.00 0.00 C ATOM 985 C VAL A 62 181.209 0.079 7.525 1.00 0.00 C ATOM 986 O VAL A 62 181.120 0.794 8.523 1.00 0.00 O ATOM 987 CB VAL A 62 182.360 -1.863 8.600 1.00 0.00 C ATOM 988 CG1 VAL A 62 181.053 -2.638 8.698 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.545 -2.815 8.527 1.00 0.00 C ATOM 0 H VAL A 62 184.097 -0.013 8.098 1.00 0.00 H new ATOM 0 HA VAL A 62 182.191 -1.517 6.479 1.00 0.00 H new ATOM 0 HB VAL A 62 182.461 -1.255 9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.084 -3.295 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.223 -1.939 8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.916 -3.235 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.538 -3.472 9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.475 -3.414 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.472 -2.242 8.513 1.00 0.00 H new ATOM 999 N ALA A 63 180.341 0.123 6.522 1.00 0.00 N ATOM 1000 CA ALA A 63 179.205 1.034 6.530 1.00 0.00 C ATOM 1001 C ALA A 63 177.969 0.364 7.121 1.00 0.00 C ATOM 1002 O ALA A 63 177.391 -0.539 6.517 1.00 0.00 O ATOM 1003 CB ALA A 63 178.919 1.525 5.120 1.00 0.00 C ATOM 0 H ALA A 63 180.403 -0.464 5.690 1.00 0.00 H new ATOM 0 HA ALA A 63 179.457 1.888 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.068 2.206 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.793 2.048 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.690 0.674 4.478 1.00 0.00 H new ATOM 1009 N SER A 64 177.570 0.811 8.308 1.00 0.00 N ATOM 1010 CA SER A 64 176.401 0.253 8.980 1.00 0.00 C ATOM 1011 C SER A 64 175.230 1.230 8.937 1.00 0.00 C ATOM 1012 O SER A 64 175.263 2.282 9.571 1.00 0.00 O ATOM 1013 CB SER A 64 176.739 -0.096 10.432 1.00 0.00 C ATOM 1014 OG SER A 64 178.140 -0.125 10.639 1.00 0.00 O ATOM 0 H SER A 64 178.038 1.556 8.824 1.00 0.00 H new ATOM 0 HA SER A 64 176.110 -0.656 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.285 0.636 11.100 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.311 -1.066 10.685 1.00 0.00 H new ATOM 0 HG SER A 64 178.328 -0.349 11.574 1.00 0.00 H new ATOM 1020 N GLY A 65 174.196 0.871 8.183 1.00 0.00 N ATOM 1021 CA GLY A 65 173.028 1.727 8.070 1.00 0.00 C ATOM 1022 C GLY A 65 171.796 1.110 8.701 1.00 0.00 C ATOM 1023 O GLY A 65 171.060 0.369 8.049 1.00 0.00 O ATOM 0 H GLY A 65 174.145 0.004 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.236 2.685 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.831 1.931 7.018 1.00 0.00 H new ATOM 1027 N LYS A 66 171.568 1.418 9.973 1.00 0.00 N ATOM 1028 CA LYS A 66 170.413 0.890 10.689 1.00 0.00 C ATOM 1029 C LYS A 66 169.343 1.962 10.853 1.00 0.00 C ATOM 1030 O LYS A 66 169.542 2.946 11.566 1.00 0.00 O ATOM 1031 CB LYS A 66 170.835 0.359 12.060 1.00 0.00 C ATOM 1032 CG LYS A 66 169.778 -0.508 12.726 1.00 0.00 C ATOM 1033 CD LYS A 66 169.123 0.208 13.898 1.00 0.00 C ATOM 1034 CE LYS A 66 169.507 -0.424 15.227 1.00 0.00 C ATOM 1035 NZ LYS A 66 170.963 -0.732 15.296 1.00 0.00 N ATOM 0 H LYS A 66 172.166 2.029 10.528 1.00 0.00 H new ATOM 0 HA LYS A 66 169.996 0.070 10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.752 -0.220 11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.066 1.202 12.712 1.00 0.00 H new ATOM 0 HG2 LYS A 66 169.017 -0.781 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.233 -1.435 13.074 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.418 1.257 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 168.040 0.181 13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 66 169.240 0.251 16.040 1.00 0.00 H new ATOM 0 HE3 LYS A 66 168.935 -1.340 15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.296 -0.619 16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 171.126 -1.711 14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 171.485 -0.081 14.675 1.00 0.00 H new ATOM 1049 N HIS A 67 168.202 1.770 10.192 1.00 0.00 N ATOM 1050 CA HIS A 67 167.110 2.735 10.278 1.00 0.00 C ATOM 1051 C HIS A 67 165.793 2.137 9.790 1.00 0.00 C ATOM 1052 O HIS A 67 165.778 1.255 8.934 1.00 0.00 O ATOM 1053 CB HIS A 67 167.445 3.993 9.473 1.00 0.00 C ATOM 1054 CG HIS A 67 167.292 5.258 10.258 1.00 0.00 C ATOM 1055 ND1 HIS A 67 166.237 6.098 10.387 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 168.301 5.791 11.032 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 166.625 7.111 11.228 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 167.873 6.903 11.604 1.00 0.00 N flip ATOM 0 H HIS A 67 168.012 0.963 9.597 1.00 0.00 H new ATOM 0 HA HIS A 67 166.989 3.003 11.328 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.470 3.921 9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.799 4.037 8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 67 169.287 5.366 11.152 1.00 0.00 H new ATOM 0 HE1 HIS A 67 166.009 7.944 11.533 1.00 0.00 H new ATOM 0 HE2 HIS A 67 168.415 7.499 12.230 1.00 0.00 H new ATOM 1067 N GLU A 68 164.690 2.626 10.350 1.00 0.00 N ATOM 1068 CA GLU A 68 163.355 2.148 9.993 1.00 0.00 C ATOM 1069 C GLU A 68 163.172 2.045 8.479 1.00 0.00 C ATOM 1070 O GLU A 68 162.820 0.985 7.960 1.00 0.00 O ATOM 1071 CB GLU A 68 162.289 3.074 10.580 1.00 0.00 C ATOM 1072 CG GLU A 68 161.864 2.694 11.989 1.00 0.00 C ATOM 1073 CD GLU A 68 160.946 1.488 12.015 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.904 1.519 11.326 1.00 0.00 O ATOM 1075 OE2 GLU A 68 161.270 0.511 12.723 1.00 0.00 O ATOM 0 H GLU A 68 164.694 3.359 11.059 1.00 0.00 H new ATOM 0 HA GLU A 68 163.244 1.148 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.670 4.095 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.414 3.065 9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.750 2.484 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 68 161.359 3.541 12.453 1.00 0.00 H new ATOM 1082 N ASP A 69 163.400 3.149 7.774 1.00 0.00 N ATOM 1083 CA ASP A 69 163.246 3.171 6.322 1.00 0.00 C ATOM 1084 C ASP A 69 164.528 2.723 5.628 1.00 0.00 C ATOM 1085 O ASP A 69 165.606 2.721 6.227 1.00 0.00 O ATOM 1086 CB ASP A 69 162.845 4.570 5.846 1.00 0.00 C ATOM 1087 CG ASP A 69 161.439 4.607 5.280 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.630 3.725 5.641 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.146 5.517 4.477 1.00 0.00 O ATOM 0 H ASP A 69 163.691 4.037 8.182 1.00 0.00 H new ATOM 0 HA ASP A 69 162.454 2.471 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 69 162.917 5.269 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.549 4.908 5.085 1.00 0.00 H new ATOM 1094 N MET A 70 164.406 2.341 4.361 1.00 0.00 N ATOM 1095 CA MET A 70 165.554 1.885 3.589 1.00 0.00 C ATOM 1096 C MET A 70 166.455 3.053 3.211 1.00 0.00 C ATOM 1097 O MET A 70 167.676 2.984 3.359 1.00 0.00 O ATOM 1098 CB MET A 70 165.094 1.116 2.340 1.00 0.00 C ATOM 1099 CG MET A 70 164.693 1.989 1.155 1.00 0.00 C ATOM 1100 SD MET A 70 163.053 2.716 1.346 1.00 0.00 S ATOM 1101 CE MET A 70 162.154 1.874 0.044 1.00 0.00 C ATOM 0 H MET A 70 163.524 2.338 3.848 1.00 0.00 H new ATOM 0 HA MET A 70 166.135 1.205 4.212 1.00 0.00 H new ATOM 0 HB2 MET A 70 165.898 0.450 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 70 164.246 0.487 2.611 1.00 0.00 H new ATOM 0 HG2 MET A 70 165.427 2.786 1.032 1.00 0.00 H new ATOM 0 HG3 MET A 70 164.716 1.391 0.244 1.00 0.00 H new ATOM 0 HE1 MET A 70 161.120 2.218 0.035 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.618 2.092 -0.918 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.177 0.799 0.222 1.00 0.00 H new ATOM 1111 N TYR A 71 165.844 4.126 2.728 1.00 0.00 N ATOM 1112 CA TYR A 71 166.588 5.313 2.327 1.00 0.00 C ATOM 1113 C TYR A 71 167.278 5.948 3.525 1.00 0.00 C ATOM 1114 O TYR A 71 168.361 6.520 3.398 1.00 0.00 O ATOM 1115 CB TYR A 71 165.663 6.317 1.636 1.00 0.00 C ATOM 1116 CG TYR A 71 165.607 6.152 0.130 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.066 4.989 -0.484 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.096 7.159 -0.681 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.020 4.837 -1.854 1.00 0.00 C ATOM 1120 CE2 TYR A 71 165.046 7.012 -2.055 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.510 5.850 -2.636 1.00 0.00 C ATOM 1122 OH TYR A 71 165.462 5.702 -4.003 1.00 0.00 O ATOM 0 H TYR A 71 164.834 4.199 2.604 1.00 0.00 H new ATOM 0 HA TYR A 71 167.358 5.012 1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.657 6.211 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 71 165.997 7.328 1.870 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.466 4.191 0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.732 8.071 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.382 3.928 -2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.645 7.804 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 71 166.291 5.283 -4.316 1.00 0.00 H new ATOM 1132 N THR A 72 166.661 5.827 4.695 1.00 0.00 N ATOM 1133 CA THR A 72 167.246 6.375 5.911 1.00 0.00 C ATOM 1134 C THR A 72 168.502 5.592 6.267 1.00 0.00 C ATOM 1135 O THR A 72 169.517 6.167 6.660 1.00 0.00 O ATOM 1136 CB THR A 72 166.248 6.325 7.070 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.175 5.453 6.771 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.661 7.678 7.412 1.00 0.00 C ATOM 0 H THR A 72 165.764 5.359 4.826 1.00 0.00 H new ATOM 0 HA THR A 72 167.505 7.419 5.734 1.00 0.00 H new ATOM 0 HB THR A 72 166.818 5.967 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 72 165.497 4.527 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.962 7.572 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 72 166.462 8.360 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 165.136 8.077 6.544 1.00 0.00 H new ATOM 1146 N ALA A 73 168.427 4.273 6.107 1.00 0.00 N ATOM 1147 CA ALA A 73 169.561 3.406 6.392 1.00 0.00 C ATOM 1148 C ALA A 73 170.753 3.776 5.515 1.00 0.00 C ATOM 1149 O ALA A 73 171.904 3.684 5.940 1.00 0.00 O ATOM 1150 CB ALA A 73 169.176 1.948 6.187 1.00 0.00 C ATOM 0 H ALA A 73 167.593 3.784 5.782 1.00 0.00 H new ATOM 0 HA ALA A 73 169.849 3.544 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 73 170.034 1.311 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 73 168.355 1.691 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.863 1.796 5.154 1.00 0.00 H new ATOM 1156 N ILE A 74 170.466 4.202 4.286 1.00 0.00 N ATOM 1157 CA ILE A 74 171.521 4.593 3.349 1.00 0.00 C ATOM 1158 C ILE A 74 172.250 5.837 3.848 1.00 0.00 C ATOM 1159 O ILE A 74 173.481 5.888 3.858 1.00 0.00 O ATOM 1160 CB ILE A 74 170.988 4.886 1.924 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.708 4.102 1.620 1.00 0.00 C ATOM 1162 CG2 ILE A 74 172.058 4.566 0.892 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.899 2.602 1.602 1.00 0.00 C ATOM 0 H ILE A 74 169.519 4.285 3.916 1.00 0.00 H new ATOM 0 HA ILE A 74 172.199 3.741 3.294 1.00 0.00 H new ATOM 0 HB ILE A 74 170.741 5.947 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.954 4.354 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.319 4.421 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.674 4.775 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.939 5.181 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 74 172.329 3.513 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.948 2.117 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.629 2.337 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 74 170.258 2.269 2.576 1.00 0.00 H new ATOM 1175 N ASN A 75 171.479 6.841 4.257 1.00 0.00 N ATOM 1176 CA ASN A 75 172.045 8.091 4.751 1.00 0.00 C ATOM 1177 C ASN A 75 172.939 7.853 5.965 1.00 0.00 C ATOM 1178 O ASN A 75 174.153 8.030 5.895 1.00 0.00 O ATOM 1179 CB ASN A 75 170.927 9.070 5.114 1.00 0.00 C ATOM 1180 CG ASN A 75 170.261 9.665 3.890 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.632 10.747 3.430 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.273 8.961 3.351 1.00 0.00 N ATOM 0 H ASN A 75 170.459 6.812 4.256 1.00 0.00 H new ATOM 0 HA ASN A 75 172.656 8.518 3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.179 8.556 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.336 9.872 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.789 9.311 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.998 8.070 3.764 1.00 0.00 H new ATOM 1189 N GLU A 76 172.330 7.454 7.079 1.00 0.00 N ATOM 1190 CA GLU A 76 173.073 7.195 8.311 1.00 0.00 C ATOM 1191 C GLU A 76 174.321 6.356 8.040 1.00 0.00 C ATOM 1192 O GLU A 76 175.354 6.535 8.681 1.00 0.00 O ATOM 1193 CB GLU A 76 172.176 6.487 9.330 1.00 0.00 C ATOM 1194 CG GLU A 76 171.925 7.303 10.588 1.00 0.00 C ATOM 1195 CD GLU A 76 172.078 6.486 11.855 1.00 0.00 C ATOM 1196 OE1 GLU A 76 173.221 6.091 12.172 1.00 0.00 O ATOM 1197 OE2 GLU A 76 171.057 6.240 12.532 1.00 0.00 O ATOM 0 H GLU A 76 171.324 7.303 7.155 1.00 0.00 H new ATOM 0 HA GLU A 76 173.392 8.154 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.220 6.254 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.634 5.538 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.619 8.143 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.919 7.722 10.550 1.00 0.00 H new ATOM 1204 N LEU A 77 174.211 5.439 7.084 1.00 0.00 N ATOM 1205 CA LEU A 77 175.323 4.569 6.721 1.00 0.00 C ATOM 1206 C LEU A 77 176.528 5.382 6.242 1.00 0.00 C ATOM 1207 O LEU A 77 177.627 5.260 6.786 1.00 0.00 O ATOM 1208 CB LEU A 77 174.876 3.583 5.636 1.00 0.00 C ATOM 1209 CG LEU A 77 176.000 2.942 4.818 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.584 1.564 4.328 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.379 3.836 3.646 1.00 0.00 C ATOM 0 H LEU A 77 173.360 5.279 6.545 1.00 0.00 H new ATOM 0 HA LEU A 77 175.630 4.013 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 77 174.297 2.789 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.205 4.103 4.952 1.00 0.00 H new ATOM 0 HG LEU A 77 176.873 2.827 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.395 1.124 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 77 175.361 0.926 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.697 1.653 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.179 3.366 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.511 3.981 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.719 4.802 4.020 1.00 0.00 H new ATOM 1223 N ILE A 78 176.314 6.203 5.218 1.00 0.00 N ATOM 1224 CA ILE A 78 177.384 7.024 4.662 1.00 0.00 C ATOM 1225 C ILE A 78 178.010 7.921 5.730 1.00 0.00 C ATOM 1226 O ILE A 78 179.222 8.138 5.736 1.00 0.00 O ATOM 1227 CB ILE A 78 176.882 7.883 3.477 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.009 8.099 2.468 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.330 9.223 3.955 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.523 6.814 1.853 1.00 0.00 C ATOM 0 H ILE A 78 175.411 6.317 4.757 1.00 0.00 H new ATOM 0 HA ILE A 78 178.149 6.341 4.292 1.00 0.00 H new ATOM 0 HB ILE A 78 176.069 7.344 2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.654 8.756 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.834 8.612 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.986 9.802 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.496 9.051 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 78 177.114 9.775 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.321 7.042 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.908 6.164 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 78 177.710 6.310 1.331 1.00 0.00 H new ATOM 1242 N ASN A 79 177.179 8.436 6.632 1.00 0.00 N ATOM 1243 CA ASN A 79 177.656 9.306 7.702 1.00 0.00 C ATOM 1244 C ASN A 79 178.738 8.611 8.524 1.00 0.00 C ATOM 1245 O ASN A 79 179.788 9.190 8.803 1.00 0.00 O ATOM 1246 CB ASN A 79 176.495 9.721 8.609 1.00 0.00 C ATOM 1247 CG ASN A 79 176.224 11.212 8.555 1.00 0.00 C ATOM 1248 OD1 ASN A 79 177.107 12.024 8.831 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.999 11.579 8.198 1.00 0.00 N ATOM 0 H ASN A 79 176.173 8.266 6.643 1.00 0.00 H new ATOM 0 HA ASN A 79 178.086 10.198 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.596 9.180 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.718 9.432 9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 79 174.759 12.569 8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.298 10.871 7.978 1.00 0.00 H new ATOM 1256 N LYS A 80 178.474 7.365 8.903 1.00 0.00 N ATOM 1257 CA LYS A 80 179.425 6.589 9.689 1.00 0.00 C ATOM 1258 C LYS A 80 180.759 6.472 8.959 1.00 0.00 C ATOM 1259 O LYS A 80 181.814 6.786 9.514 1.00 0.00 O ATOM 1260 CB LYS A 80 178.863 5.196 9.978 1.00 0.00 C ATOM 1261 CG LYS A 80 177.513 5.216 10.677 1.00 0.00 C ATOM 1262 CD LYS A 80 177.650 5.585 12.145 1.00 0.00 C ATOM 1263 CE LYS A 80 177.763 7.089 12.338 1.00 0.00 C ATOM 1264 NZ LYS A 80 176.799 7.594 13.353 1.00 0.00 N ATOM 0 H LYS A 80 177.610 6.872 8.679 1.00 0.00 H new ATOM 0 HA LYS A 80 179.590 7.107 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 80 178.768 4.650 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.574 4.648 10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 80 176.856 5.931 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 177.042 4.237 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 80 176.787 5.211 12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 80 178.531 5.097 12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 80 178.778 7.340 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.585 7.591 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 176.909 8.623 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.829 7.378 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.985 7.134 14.267 1.00 0.00 H new ATOM 1278 N LEU A 81 180.707 6.022 7.709 1.00 0.00 N ATOM 1279 CA LEU A 81 181.915 5.869 6.907 1.00 0.00 C ATOM 1280 C LEU A 81 182.554 7.223 6.619 1.00 0.00 C ATOM 1281 O LEU A 81 183.770 7.324 6.458 1.00 0.00 O ATOM 1282 CB LEU A 81 181.601 5.153 5.589 1.00 0.00 C ATOM 1283 CG LEU A 81 181.337 3.647 5.701 1.00 0.00 C ATOM 1284 CD1 LEU A 81 181.376 3.002 4.325 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.348 2.985 6.626 1.00 0.00 C ATOM 0 H LEU A 81 179.845 5.758 7.232 1.00 0.00 H new ATOM 0 HA LEU A 81 182.620 5.266 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.727 5.625 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 81 182.435 5.308 4.904 1.00 0.00 H new ATOM 0 HG LEU A 81 180.344 3.505 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.187 1.933 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 81 180.612 3.451 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.357 3.159 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 81 182.139 1.917 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.354 3.136 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.276 3.428 7.620 1.00 0.00 H new ATOM 1297 N GLU A 82 181.728 8.264 6.555 1.00 0.00 N ATOM 1298 CA GLU A 82 182.219 9.613 6.286 1.00 0.00 C ATOM 1299 C GLU A 82 183.287 10.014 7.296 1.00 0.00 C ATOM 1300 O GLU A 82 184.384 10.426 6.923 1.00 0.00 O ATOM 1301 CB GLU A 82 181.065 10.618 6.323 1.00 0.00 C ATOM 1302 CG GLU A 82 181.230 11.769 5.343 1.00 0.00 C ATOM 1303 CD GLU A 82 179.911 12.432 4.997 1.00 0.00 C ATOM 1304 OE1 GLU A 82 179.255 11.983 4.035 1.00 0.00 O ATOM 1305 OE2 GLU A 82 179.535 13.402 5.690 1.00 0.00 O ATOM 0 H GLU A 82 180.718 8.200 6.685 1.00 0.00 H new ATOM 0 HA GLU A 82 182.664 9.617 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.133 10.097 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.977 11.021 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.905 12.511 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 82 181.698 11.400 4.430 1.00 0.00 H new ATOM 1312 N ARG A 83 182.959 9.890 8.578 1.00 0.00 N ATOM 1313 CA ARG A 83 183.895 10.239 9.641 1.00 0.00 C ATOM 1314 C ARG A 83 185.094 9.299 9.635 1.00 0.00 C ATOM 1315 O ARG A 83 186.230 9.724 9.851 1.00 0.00 O ATOM 1316 CB ARG A 83 183.197 10.192 11.002 1.00 0.00 C ATOM 1317 CG ARG A 83 182.521 8.863 11.297 1.00 0.00 C ATOM 1318 CD ARG A 83 182.126 8.750 12.761 1.00 0.00 C ATOM 1319 NE ARG A 83 182.447 7.436 13.315 1.00 0.00 N ATOM 1320 CZ ARG A 83 183.687 6.970 13.448 1.00 0.00 C ATOM 1321 NH1 ARG A 83 184.725 7.709 13.073 1.00 0.00 N ATOM 1322 NH2 ARG A 83 183.890 5.764 13.960 1.00 0.00 N ATOM 0 H ARG A 83 182.054 9.551 8.906 1.00 0.00 H new ATOM 0 HA ARG A 83 184.251 11.254 9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 83 183.929 10.398 11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.452 10.986 11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.635 8.758 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.194 8.046 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.639 9.521 13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.057 8.935 12.863 1.00 0.00 H new ATOM 0 HE ARG A 83 181.676 6.841 13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 83 184.574 8.638 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 83 185.673 7.347 13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.096 5.194 14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 83 184.840 5.407 14.062 1.00 0.00 H new ATOM 1336 N GLN A 84 184.835 8.019 9.388 1.00 0.00 N ATOM 1337 CA GLN A 84 185.896 7.019 9.355 1.00 0.00 C ATOM 1338 C GLN A 84 186.898 7.323 8.245 1.00 0.00 C ATOM 1339 O GLN A 84 188.105 7.360 8.477 1.00 0.00 O ATOM 1340 CB GLN A 84 185.304 5.623 9.155 1.00 0.00 C ATOM 1341 CG GLN A 84 184.579 5.090 10.380 1.00 0.00 C ATOM 1342 CD GLN A 84 184.439 3.581 10.363 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.415 3.090 9.673 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 185.242 2.863 10.960 1.00 0.00 N flip ATOM 0 H GLN A 84 183.901 7.650 9.208 1.00 0.00 H new ATOM 0 HA GLN A 84 186.420 7.051 10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 84 184.610 5.648 8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 84 186.104 4.933 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.120 5.391 11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.589 5.543 10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 84 186.014 3.282 11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 84 185.135 1.849 10.937 1.00 0.00 H new ATOM 1353 N LEU A 85 186.386 7.543 7.038 1.00 0.00 N ATOM 1354 CA LEU A 85 187.236 7.845 5.890 1.00 0.00 C ATOM 1355 C LEU A 85 188.047 9.114 6.134 1.00 0.00 C ATOM 1356 O LEU A 85 189.196 9.220 5.705 1.00 0.00 O ATOM 1357 CB LEU A 85 186.386 7.997 4.625 1.00 0.00 C ATOM 1358 CG LEU A 85 186.382 6.774 3.702 1.00 0.00 C ATOM 1359 CD1 LEU A 85 184.956 6.334 3.400 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.131 7.077 2.411 1.00 0.00 C ATOM 0 H LEU A 85 185.388 7.518 6.829 1.00 0.00 H new ATOM 0 HA LEU A 85 187.930 7.016 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.359 8.216 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.748 8.858 4.063 1.00 0.00 H new ATOM 0 HG LEU A 85 186.892 5.958 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 85 184.975 5.464 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.450 6.075 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 85 184.420 7.147 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.118 6.197 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 85 186.649 7.909 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.163 7.342 2.642 1.00 0.00 H new ATOM 1372 N ASN A 86 187.441 10.075 6.824 1.00 0.00 N ATOM 1373 CA ASN A 86 188.109 11.337 7.124 1.00 0.00 C ATOM 1374 C ASN A 86 189.380 11.099 7.931 1.00 0.00 C ATOM 1375 O ASN A 86 190.429 11.677 7.641 1.00 0.00 O ATOM 1376 CB ASN A 86 187.167 12.264 7.896 1.00 0.00 C ATOM 1377 CG ASN A 86 186.471 13.264 6.992 1.00 0.00 C ATOM 1378 OD1 ASN A 86 187.110 13.936 6.183 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.153 13.368 7.128 1.00 0.00 N ATOM 0 H ASN A 86 186.490 10.004 7.186 1.00 0.00 H new ATOM 0 HA ASN A 86 188.382 11.810 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 86 186.419 11.666 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.733 12.800 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.631 14.025 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 86 184.664 12.791 7.812 1.00 0.00 H new ATOM 1386 N LYS A 87 189.279 10.247 8.945 1.00 0.00 N ATOM 1387 CA LYS A 87 190.419 9.928 9.797 1.00 0.00 C ATOM 1388 C LYS A 87 191.552 9.306 8.982 1.00 0.00 C ATOM 1389 O LYS A 87 192.660 9.839 8.935 1.00 0.00 O ATOM 1390 CB LYS A 87 189.982 8.983 10.925 1.00 0.00 C ATOM 1391 CG LYS A 87 191.098 8.108 11.481 1.00 0.00 C ATOM 1392 CD LYS A 87 192.293 8.934 11.925 1.00 0.00 C ATOM 1393 CE LYS A 87 193.547 8.081 12.035 1.00 0.00 C ATOM 1394 NZ LYS A 87 194.469 8.581 13.093 1.00 0.00 N ATOM 0 H LYS A 87 188.417 9.764 9.198 1.00 0.00 H new ATOM 0 HA LYS A 87 190.793 10.853 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 87 189.563 9.576 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 87 189.183 8.340 10.555 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.721 7.531 12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 87 191.412 7.393 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 87 192.462 9.743 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 87 192.080 9.396 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 87 193.267 7.051 12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 87 194.065 8.073 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 195.311 7.972 13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 194.757 9.555 12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 193.983 8.565 14.013 1.00 0.00 H new ATOM 1408 N LEU A 88 191.268 8.171 8.350 1.00 0.00 N ATOM 1409 CA LEU A 88 192.267 7.473 7.544 1.00 0.00 C ATOM 1410 C LEU A 88 192.914 8.414 6.525 1.00 0.00 C ATOM 1411 O LEU A 88 194.042 8.184 6.086 1.00 0.00 O ATOM 1412 CB LEU A 88 191.628 6.263 6.844 1.00 0.00 C ATOM 1413 CG LEU A 88 191.481 6.364 5.322 1.00 0.00 C ATOM 1414 CD1 LEU A 88 192.816 6.102 4.636 1.00 0.00 C ATOM 1415 CD2 LEU A 88 190.423 5.391 4.823 1.00 0.00 C ATOM 0 H LEU A 88 190.356 7.715 8.380 1.00 0.00 H new ATOM 0 HA LEU A 88 193.055 7.117 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 88 192.224 5.380 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.640 6.101 7.274 1.00 0.00 H new ATOM 0 HG LEU A 88 191.162 7.376 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 88 192.691 6.178 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 88 193.547 6.838 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 88 193.166 5.102 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 88 190.332 5.476 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.713 4.373 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 88 189.465 5.626 5.287 1.00 0.00 H new