USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot 156:sc= 1.21 USER MOD Set 1.2: A 38 CYS SG : rot -153:sc= 1.75! USER MOD Set 1.3: A 41 CYS SG : rot 57:sc= 1.84! USER MOD Set 2.1: A 9 CYS SG : rot 71:sc= -0.142 USER MOD Set 2.2: A 14 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 135:sc= 0.128 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 0.0184 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.107) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.295 K(o=-0.3,f=-2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -150:sc= -0.305 (180deg=-1.37) USER MOD Single : A 82 THR OG1 : rot 105:sc= -0.69 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 12:sc= 0.788 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 74:sc= 0.627 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -8.134 8.638 12.285 1.00 0.00 N ATOM 29 CA GLU A 3 -7.282 7.397 11.965 1.00 0.00 C ATOM 30 C GLU A 3 -7.887 6.424 10.910 1.00 0.00 C ATOM 31 O GLU A 3 -9.060 6.408 10.575 1.00 0.00 O ATOM 32 CB GLU A 3 -6.865 6.587 13.319 1.00 0.00 C ATOM 33 CG GLU A 3 -7.847 5.734 14.143 1.00 0.00 C ATOM 34 CD GLU A 3 -8.757 6.636 15.031 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.337 7.616 15.638 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.044 6.112 15.114 1.00 0.00 O ATOM 0 HA GLU A 3 -6.388 7.807 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.046 5.925 13.039 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.455 7.329 14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.464 5.134 13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.292 5.039 14.773 1.00 0.00 H new ATOM 44 N GLY A 4 -6.963 5.623 10.358 1.00 0.00 N ATOM 45 CA GLY A 4 -7.060 4.641 9.236 1.00 0.00 C ATOM 46 C GLY A 4 -6.359 3.418 9.896 1.00 0.00 C ATOM 47 O GLY A 4 -6.291 3.186 11.113 1.00 0.00 O ATOM 0 H GLY A 4 -6.011 5.641 10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.091 4.429 8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.547 4.982 8.337 1.00 0.00 H new ATOM 51 N GLN A 5 -5.960 2.457 9.027 1.00 0.00 N ATOM 52 CA GLN A 5 -5.554 1.069 9.465 1.00 0.00 C ATOM 53 C GLN A 5 -4.549 0.534 8.413 1.00 0.00 C ATOM 54 O GLN A 5 -4.629 0.818 7.194 1.00 0.00 O ATOM 55 CB GLN A 5 -6.834 0.220 9.645 1.00 0.00 C ATOM 56 CG GLN A 5 -7.686 -0.262 8.410 1.00 0.00 C ATOM 57 CD GLN A 5 -8.927 0.596 8.052 1.00 0.00 C ATOM 58 OE1 GLN A 5 -8.787 1.682 7.476 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.138 0.320 8.599 1.00 0.00 N ATOM 0 H GLN A 5 -5.906 2.602 8.019 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.047 1.041 10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.545 -0.674 10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.504 0.791 10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.033 -0.299 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.019 -1.282 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.290 -0.566 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.896 0.998 8.528 1.00 0.00 H new ATOM 68 N VAL A 6 -3.698 -0.322 9.000 1.00 0.00 N ATOM 69 CA VAL A 6 -2.666 -1.157 8.399 1.00 0.00 C ATOM 70 C VAL A 6 -3.041 -2.610 8.834 1.00 0.00 C ATOM 71 O VAL A 6 -3.038 -2.991 10.029 1.00 0.00 O ATOM 72 CB VAL A 6 -1.328 -0.674 8.895 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.156 -1.549 8.234 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.987 0.780 8.500 1.00 0.00 C ATOM 0 H VAL A 6 -3.725 -0.454 10.011 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.602 -1.118 7.312 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.396 -0.756 9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.810 -1.196 8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.285 -2.596 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.195 -1.450 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.007 1.045 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.973 0.868 7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.739 1.454 8.909 1.00 0.00 H new ATOM 84 N ILE A 7 -3.202 -3.427 7.810 1.00 0.00 N ATOM 85 CA ILE A 7 -3.641 -4.810 7.833 1.00 0.00 C ATOM 86 C ILE A 7 -2.634 -5.747 6.960 1.00 0.00 C ATOM 87 O ILE A 7 -2.251 -5.424 5.831 1.00 0.00 O ATOM 88 CB ILE A 7 -5.117 -4.809 7.234 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.016 -5.987 7.657 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.229 -4.610 5.709 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.515 -7.382 7.289 1.00 0.00 C ATOM 0 H ILE A 7 -3.012 -3.113 6.858 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.634 -5.222 8.842 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.500 -3.908 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.150 -5.945 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.999 -5.846 7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.279 -4.627 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.791 -3.650 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.696 -5.412 5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.229 -8.129 7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.410 -7.457 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.548 -7.557 7.760 1.00 0.00 H new ATOM 103 N ALA A 8 -2.229 -6.836 7.633 1.00 0.00 N ATOM 104 CA ALA A 8 -1.401 -7.966 7.130 1.00 0.00 C ATOM 105 C ALA A 8 -2.058 -8.974 6.104 1.00 0.00 C ATOM 106 O ALA A 8 -3.015 -9.722 6.441 1.00 0.00 O ATOM 107 CB ALA A 8 -0.814 -8.667 8.392 1.00 0.00 C ATOM 0 H ALA A 8 -2.484 -6.968 8.612 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.632 -7.542 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.194 -9.509 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.208 -7.956 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.629 -9.027 9.021 1.00 0.00 H new ATOM 113 N CYS A 9 -1.470 -9.040 4.875 1.00 0.00 N ATOM 114 CA CYS A 9 -1.906 -9.644 3.621 1.00 0.00 C ATOM 115 C CYS A 9 -0.798 -10.709 3.146 1.00 0.00 C ATOM 116 O CYS A 9 0.449 -10.614 3.282 1.00 0.00 O ATOM 117 CB CYS A 9 -2.111 -8.529 2.615 1.00 0.00 C ATOM 118 SG CYS A 9 -3.436 -7.342 3.088 1.00 0.00 S ATOM 0 H CYS A 9 -0.556 -8.606 4.745 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.847 -10.182 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.174 -7.985 2.493 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.355 -8.965 1.646 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.035 -6.623 4.094 1.00 0.00 H new ATOM 124 N HIS A 10 -1.338 -11.862 2.734 1.00 0.00 N ATOM 125 CA HIS A 10 -0.612 -13.147 2.495 1.00 0.00 C ATOM 126 C HIS A 10 -1.038 -14.058 1.304 1.00 0.00 C ATOM 127 O HIS A 10 -0.356 -15.006 0.992 1.00 0.00 O ATOM 128 CB HIS A 10 -0.514 -13.923 3.815 1.00 0.00 C ATOM 129 CG HIS A 10 0.641 -13.613 4.747 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.851 -14.216 4.508 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.663 -12.865 5.923 1.00 0.00 C ATOM 132 CE1 HIS A 10 2.534 -13.751 5.680 1.00 0.00 C ATOM 133 NE2 HIS A 10 1.868 -12.948 6.601 1.00 0.00 N ATOM 0 H HIS A 10 -2.337 -11.945 2.545 1.00 0.00 H new ATOM 0 HA HIS A 10 0.364 -12.823 2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.440 -13.759 4.367 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.471 -14.985 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.175 -12.280 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.565 -14.024 5.848 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.170 -12.549 7.490 1.00 0.00 H new ATOM 141 N THR A 11 -2.298 -13.958 0.850 1.00 0.00 N ATOM 142 CA THR A 11 -3.004 -14.993 0.034 1.00 0.00 C ATOM 143 C THR A 11 -3.989 -14.318 -0.930 1.00 0.00 C ATOM 144 O THR A 11 -4.007 -13.098 -1.094 1.00 0.00 O ATOM 145 CB THR A 11 -3.707 -16.034 0.971 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.801 -15.454 1.741 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.845 -16.798 1.940 1.00 0.00 C ATOM 0 H THR A 11 -2.879 -13.141 1.038 1.00 0.00 H new ATOM 0 HA THR A 11 -2.280 -15.541 -0.570 1.00 0.00 H new ATOM 0 HB THR A 11 -4.057 -16.751 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.577 -16.051 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.467 -17.480 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.097 -17.369 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.346 -16.100 2.612 1.00 0.00 H new ATOM 155 N VAL A 12 -4.915 -15.131 -1.546 1.00 0.00 N ATOM 156 CA VAL A 12 -6.151 -14.620 -2.297 1.00 0.00 C ATOM 157 C VAL A 12 -7.149 -13.734 -1.491 1.00 0.00 C ATOM 158 O VAL A 12 -8.012 -12.960 -1.979 1.00 0.00 O ATOM 159 CB VAL A 12 -6.842 -15.824 -3.076 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.449 -16.900 -2.165 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.811 -15.340 -4.169 1.00 0.00 C ATOM 0 H VAL A 12 -4.840 -16.148 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.777 -13.893 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.027 -16.334 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.899 -17.683 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.667 -17.332 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.213 -16.451 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.255 -16.201 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.599 -14.738 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.267 -14.738 -4.897 1.00 0.00 H new ATOM 171 N ASP A 13 -7.171 -13.884 -0.141 1.00 0.00 N ATOM 172 CA ASP A 13 -7.826 -12.945 0.775 1.00 0.00 C ATOM 173 C ASP A 13 -7.570 -11.388 0.674 1.00 0.00 C ATOM 174 O ASP A 13 -8.488 -10.593 0.838 1.00 0.00 O ATOM 175 CB ASP A 13 -7.552 -13.440 2.207 1.00 0.00 C ATOM 176 CG ASP A 13 -8.363 -14.713 2.600 1.00 0.00 C ATOM 177 OD1 ASP A 13 -9.584 -14.690 2.787 1.00 0.00 O ATOM 178 OD2 ASP A 13 -7.605 -15.886 2.539 1.00 0.00 O ATOM 0 H ASP A 13 -6.728 -14.670 0.335 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.868 -12.975 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.488 -13.652 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.787 -12.640 2.909 1.00 0.00 H new ATOM 184 N THR A 14 -6.296 -11.057 0.326 1.00 0.00 N ATOM 185 CA THR A 14 -5.877 -9.733 -0.236 1.00 0.00 C ATOM 186 C THR A 14 -6.521 -9.320 -1.602 1.00 0.00 C ATOM 187 O THR A 14 -6.797 -8.180 -1.819 1.00 0.00 O ATOM 188 CB THR A 14 -4.320 -9.478 -0.107 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.184 -8.138 0.188 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.511 -9.741 -1.356 1.00 0.00 C ATOM 0 H THR A 14 -5.517 -11.708 0.428 1.00 0.00 H new ATOM 0 HA THR A 14 -6.343 -9.003 0.426 1.00 0.00 H new ATOM 0 HB THR A 14 -3.941 -10.169 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.236 -8.010 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.459 -9.535 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.628 -10.783 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.862 -9.094 -2.160 1.00 0.00 H new ATOM 198 N TRP A 15 -6.601 -10.255 -2.587 1.00 0.00 N ATOM 199 CA TRP A 15 -7.437 -10.054 -3.849 1.00 0.00 C ATOM 200 C TRP A 15 -8.852 -9.487 -3.687 1.00 0.00 C ATOM 201 O TRP A 15 -9.248 -8.503 -4.366 1.00 0.00 O ATOM 202 CB TRP A 15 -7.410 -11.355 -4.763 1.00 0.00 C ATOM 203 CG TRP A 15 -6.203 -11.489 -5.758 1.00 0.00 C ATOM 204 CD1 TRP A 15 -4.832 -11.777 -5.398 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.221 -11.120 -7.019 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.026 -11.772 -6.620 1.00 0.00 N ATOM 207 CE2 TRP A 15 -4.921 -11.340 -7.559 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.316 -10.665 -7.948 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.623 -10.970 -8.898 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -6.928 -10.260 -9.245 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.617 -10.503 -9.734 1.00 0.00 C ATOM 0 H TRP A 15 -6.112 -11.150 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.929 -9.233 -4.355 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.414 -12.229 -4.112 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.333 -11.384 -5.341 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.466 -11.964 -4.399 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.046 -12.026 -6.740 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.350 -10.649 -7.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.611 -11.055 -9.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.643 -9.755 -9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.395 -10.320 -10.775 1.00 0.00 H new ATOM 222 N LYS A 16 -9.625 -10.133 -2.778 1.00 0.00 N ATOM 223 CA LYS A 16 -10.910 -9.637 -2.172 1.00 0.00 C ATOM 224 C LYS A 16 -10.854 -8.220 -1.418 1.00 0.00 C ATOM 225 O LYS A 16 -11.735 -7.411 -1.594 1.00 0.00 O ATOM 226 CB LYS A 16 -11.418 -10.772 -1.268 1.00 0.00 C ATOM 227 CG LYS A 16 -11.826 -12.098 -1.996 1.00 0.00 C ATOM 228 CD LYS A 16 -12.527 -13.216 -1.198 1.00 0.00 C ATOM 229 CE LYS A 16 -11.546 -13.893 -0.245 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.118 -14.855 0.658 1.00 0.00 N ATOM 0 H LYS A 16 -9.368 -11.055 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.601 -9.407 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.642 -11.005 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.280 -10.407 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.481 -11.828 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.922 -12.524 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.361 -12.799 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.943 -13.954 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.777 -14.390 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.048 -13.122 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.475 -15.002 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.033 -14.503 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.261 -15.757 0.160 1.00 0.00 H new ATOM 243 N GLU A 17 -9.772 -7.926 -0.675 1.00 0.00 N ATOM 244 CA GLU A 17 -9.500 -6.641 -0.011 1.00 0.00 C ATOM 245 C GLU A 17 -9.084 -5.563 -1.020 1.00 0.00 C ATOM 246 O GLU A 17 -9.782 -4.580 -1.163 1.00 0.00 O ATOM 247 CB GLU A 17 -8.345 -6.642 1.078 1.00 0.00 C ATOM 248 CG GLU A 17 -8.743 -7.212 2.415 1.00 0.00 C ATOM 249 CD GLU A 17 -7.681 -7.092 3.553 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.507 -6.060 4.215 1.00 0.00 O ATOM 251 OE2 GLU A 17 -6.966 -8.298 3.628 1.00 0.00 O ATOM 0 H GLU A 17 -9.031 -8.609 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.451 -6.441 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.500 -7.212 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.999 -5.618 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.656 -6.714 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.985 -8.266 2.281 1.00 0.00 H new ATOM 259 N HIS A 18 -7.935 -5.639 -1.768 1.00 0.00 N ATOM 260 CA HIS A 18 -7.454 -4.641 -2.769 1.00 0.00 C ATOM 261 C HIS A 18 -8.363 -4.085 -3.887 1.00 0.00 C ATOM 262 O HIS A 18 -8.761 -2.943 -4.008 1.00 0.00 O ATOM 263 CB HIS A 18 -6.066 -5.208 -3.295 1.00 0.00 C ATOM 264 CG HIS A 18 -5.375 -4.360 -4.346 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.384 -4.613 -5.659 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.615 -3.207 -4.147 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.665 -3.555 -6.190 1.00 0.00 C ATOM 268 NE2 HIS A 18 -4.084 -2.635 -5.262 1.00 0.00 N ATOM 0 H HIS A 18 -7.298 -6.431 -1.682 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.401 -3.698 -2.224 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.394 -5.322 -2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.232 -6.204 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.457 -2.791 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.548 -3.430 -7.256 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.478 -1.825 -5.392 1.00 0.00 H new ATOM 276 N PHE A 19 -8.804 -5.056 -4.682 1.00 0.00 N ATOM 277 CA PHE A 19 -9.794 -4.940 -5.783 1.00 0.00 C ATOM 278 C PHE A 19 -11.296 -4.536 -5.415 1.00 0.00 C ATOM 279 O PHE A 19 -11.878 -3.607 -5.952 1.00 0.00 O ATOM 280 CB PHE A 19 -9.747 -6.233 -6.719 1.00 0.00 C ATOM 281 CG PHE A 19 -9.714 -6.038 -8.268 1.00 0.00 C ATOM 282 CD1 PHE A 19 -10.920 -5.953 -8.972 1.00 0.00 C ATOM 283 CD2 PHE A 19 -8.504 -6.084 -9.017 1.00 0.00 C ATOM 284 CE1 PHE A 19 -10.890 -5.996 -10.360 1.00 0.00 C ATOM 285 CE2 PHE A 19 -8.516 -6.136 -10.375 1.00 0.00 C ATOM 286 CZ PHE A 19 -9.711 -6.111 -11.046 1.00 0.00 C ATOM 0 H PHE A 19 -8.466 -6.013 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.454 -4.055 -6.320 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.866 -6.811 -6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.618 -6.844 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.858 -5.856 -8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.558 -6.077 -8.496 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.817 -5.937 -10.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.588 -6.197 -10.923 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.722 -6.183 -12.124 1.00 0.00 H new ATOM 296 N GLU A 20 -11.864 -5.307 -4.536 1.00 0.00 N ATOM 297 CA GLU A 20 -13.248 -5.069 -3.950 1.00 0.00 C ATOM 298 C GLU A 20 -13.446 -3.773 -3.178 1.00 0.00 C ATOM 299 O GLU A 20 -14.461 -3.077 -3.414 1.00 0.00 O ATOM 300 CB GLU A 20 -14.109 -6.186 -3.354 1.00 0.00 C ATOM 301 CG GLU A 20 -14.103 -7.657 -3.919 1.00 0.00 C ATOM 302 CD GLU A 20 -14.937 -7.991 -5.118 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.026 -8.598 -5.097 1.00 0.00 O ATOM 304 OE2 GLU A 20 -14.389 -7.361 -6.183 1.00 0.00 O ATOM 0 H GLU A 20 -11.413 -6.145 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.673 -5.002 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.841 -6.257 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.142 -5.840 -3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.070 -7.910 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.414 -8.319 -3.110 1.00 0.00 H new ATOM 312 N LYS A 21 -12.508 -3.326 -2.300 1.00 0.00 N ATOM 313 CA LYS A 21 -12.363 -1.942 -1.739 1.00 0.00 C ATOM 314 C LYS A 21 -12.145 -0.736 -2.695 1.00 0.00 C ATOM 315 O LYS A 21 -13.018 0.115 -2.883 1.00 0.00 O ATOM 316 CB LYS A 21 -11.497 -1.980 -0.431 1.00 0.00 C ATOM 317 CG LYS A 21 -11.886 -2.967 0.722 1.00 0.00 C ATOM 318 CD LYS A 21 -13.211 -2.570 1.477 1.00 0.00 C ATOM 319 CE LYS A 21 -13.678 -3.554 2.531 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.775 -3.499 3.695 1.00 0.00 N ATOM 0 H LYS A 21 -11.788 -3.953 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.379 -1.651 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.472 -2.207 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.493 -0.974 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.001 -3.968 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.068 -3.012 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.062 -1.600 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.006 -2.447 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.697 -3.318 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.695 -4.563 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.097 -4.175 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.809 -3.745 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.780 -2.538 4.093 1.00 0.00 H new ATOM 333 N GLY A 22 -11.007 -0.808 -3.382 1.00 0.00 N ATOM 334 CA GLY A 22 -10.627 0.213 -4.408 1.00 0.00 C ATOM 335 C GLY A 22 -11.761 0.629 -5.466 1.00 0.00 C ATOM 336 O GLY A 22 -12.384 1.702 -5.361 1.00 0.00 O ATOM 0 H GLY A 22 -10.321 -1.553 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.301 1.113 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.767 -0.165 -4.962 1.00 0.00 H new ATOM 340 N LYS A 23 -12.071 -0.336 -6.301 1.00 0.00 N ATOM 341 CA LYS A 23 -13.368 -0.417 -7.054 1.00 0.00 C ATOM 342 C LYS A 23 -14.479 -1.072 -6.165 1.00 0.00 C ATOM 343 O LYS A 23 -14.721 -2.325 -6.179 1.00 0.00 O ATOM 344 CB LYS A 23 -13.180 -1.238 -8.328 1.00 0.00 C ATOM 345 CG LYS A 23 -14.365 -1.148 -9.316 1.00 0.00 C ATOM 346 CD LYS A 23 -14.784 -2.557 -9.858 1.00 0.00 C ATOM 347 CE LYS A 23 -13.847 -3.295 -10.797 1.00 0.00 C ATOM 348 NZ LYS A 23 -13.705 -2.593 -12.049 1.00 0.00 N ATOM 0 H LYS A 23 -11.441 -1.113 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.679 0.594 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.274 -0.904 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.026 -2.282 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.216 -0.682 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.092 -0.504 -10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.961 -3.201 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.739 -2.441 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.870 -3.407 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.229 -4.299 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.975 -3.222 -12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.321 -1.755 -12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.716 -2.295 -12.170 1.00 0.00 H new ATOM 361 N GLY A 24 -15.063 -0.149 -5.477 1.00 0.00 N ATOM 362 CA GLY A 24 -16.290 -0.385 -4.707 1.00 0.00 C ATOM 363 C GLY A 24 -16.765 0.736 -3.741 1.00 0.00 C ATOM 364 O GLY A 24 -17.936 1.144 -3.665 1.00 0.00 O ATOM 0 H GLY A 24 -14.717 0.809 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.096 -0.582 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.149 -1.294 -4.122 1.00 0.00 H new ATOM 368 N SER A 25 -15.788 1.393 -3.152 1.00 0.00 N ATOM 369 CA SER A 25 -15.832 2.356 -2.013 1.00 0.00 C ATOM 370 C SER A 25 -15.258 3.674 -2.582 1.00 0.00 C ATOM 371 O SER A 25 -14.201 3.810 -3.137 1.00 0.00 O ATOM 372 CB SER A 25 -15.013 1.908 -0.785 1.00 0.00 C ATOM 373 OG SER A 25 -15.469 0.741 -0.339 1.00 0.00 O ATOM 0 H SER A 25 -14.829 1.269 -3.477 1.00 0.00 H new ATOM 0 HA SER A 25 -16.854 2.447 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.960 1.819 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.080 2.659 0.002 1.00 0.00 H new ATOM 0 HG SER A 25 -14.944 0.461 0.440 1.00 0.00 H new ATOM 379 N GLN A 26 -15.921 4.724 -2.157 1.00 0.00 N ATOM 380 CA GLN A 26 -15.466 6.169 -2.246 1.00 0.00 C ATOM 381 C GLN A 26 -14.319 6.448 -1.227 1.00 0.00 C ATOM 382 O GLN A 26 -14.496 7.097 -0.190 1.00 0.00 O ATOM 383 CB GLN A 26 -16.744 7.054 -2.072 1.00 0.00 C ATOM 384 CG GLN A 26 -17.758 7.198 -3.238 1.00 0.00 C ATOM 385 CD GLN A 26 -18.847 6.070 -3.314 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.848 6.116 -2.590 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.619 5.143 -4.235 1.00 0.00 N ATOM 0 H GLN A 26 -16.836 4.635 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 26 -15.019 6.412 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.292 6.666 -1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.409 8.057 -1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -18.260 8.161 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.207 7.214 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.765 5.177 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.297 4.396 -4.386 1.00 0.00 H new ATOM 396 N LYS A 27 -13.053 6.033 -1.642 1.00 0.00 N ATOM 397 CA LYS A 27 -11.759 6.172 -0.943 1.00 0.00 C ATOM 398 C LYS A 27 -10.558 5.846 -1.926 1.00 0.00 C ATOM 399 O LYS A 27 -10.673 5.364 -3.095 1.00 0.00 O ATOM 400 CB LYS A 27 -11.679 5.432 0.401 1.00 0.00 C ATOM 401 CG LYS A 27 -12.024 3.888 0.496 1.00 0.00 C ATOM 402 CD LYS A 27 -11.886 3.143 1.850 1.00 0.00 C ATOM 403 CE LYS A 27 -12.535 3.764 3.121 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.378 2.992 4.389 1.00 0.00 N ATOM 0 H LYS A 27 -12.935 5.564 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.670 7.218 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.663 5.557 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.341 5.952 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.054 3.765 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.392 3.370 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.304 2.145 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.822 3.019 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.112 4.757 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.600 3.897 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.849 3.500 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.809 2.052 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.367 2.886 4.608 1.00 0.00 H new ATOM 417 N LEU A 28 -9.421 6.278 -1.464 1.00 0.00 N ATOM 418 CA LEU A 28 -8.090 5.868 -1.851 1.00 0.00 C ATOM 419 C LEU A 28 -7.672 4.594 -1.006 1.00 0.00 C ATOM 420 O LEU A 28 -8.077 4.414 0.184 1.00 0.00 O ATOM 421 CB LEU A 28 -7.073 7.114 -1.672 1.00 0.00 C ATOM 422 CG LEU A 28 -5.588 6.926 -2.100 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.495 6.451 -3.537 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.874 8.333 -1.778 1.00 0.00 C ATOM 0 H LEU A 28 -9.393 6.994 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.057 5.580 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.477 7.955 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.082 7.401 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.069 6.139 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.448 6.327 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.012 5.497 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.958 7.187 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.821 8.278 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.358 9.126 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.959 8.549 -0.713 1.00 0.00 H new ATOM 436 N ILE A 29 -6.960 3.661 -1.651 1.00 0.00 N ATOM 437 CA ILE A 29 -6.579 2.296 -1.126 1.00 0.00 C ATOM 438 C ILE A 29 -5.165 2.082 -1.755 1.00 0.00 C ATOM 439 O ILE A 29 -4.884 2.279 -2.910 1.00 0.00 O ATOM 440 CB ILE A 29 -7.593 1.125 -1.253 1.00 0.00 C ATOM 441 CG1 ILE A 29 -7.704 0.329 -2.558 1.00 0.00 C ATOM 442 CG2 ILE A 29 -9.042 1.597 -0.925 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.722 -0.793 -2.779 1.00 0.00 C ATOM 0 H ILE A 29 -6.607 3.820 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.580 2.279 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.145 0.437 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.709 -0.089 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.606 1.029 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.729 0.757 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.078 1.979 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.333 2.386 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.920 -1.265 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.707 -0.395 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.828 -1.531 -1.984 1.00 0.00 H new ATOM 455 N VAL A 30 -4.232 1.774 -0.856 1.00 0.00 N ATOM 456 CA VAL A 30 -2.755 1.691 -0.981 1.00 0.00 C ATOM 457 C VAL A 30 -2.138 0.397 -0.456 1.00 0.00 C ATOM 458 O VAL A 30 -2.698 -0.183 0.511 1.00 0.00 O ATOM 459 CB VAL A 30 -2.057 2.925 -0.256 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.538 3.116 -0.602 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.827 4.264 -0.625 1.00 0.00 C ATOM 0 H VAL A 30 -4.515 1.547 0.097 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.570 1.711 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.109 2.702 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.148 3.979 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.017 2.224 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.427 3.277 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.348 5.108 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.798 4.415 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.864 4.190 -0.296 1.00 0.00 H new ATOM 471 N VAL A 31 -1.015 -0.030 -0.985 1.00 0.00 N ATOM 472 CA VAL A 31 -0.380 -1.330 -0.744 1.00 0.00 C ATOM 473 C VAL A 31 1.120 -1.191 -1.048 1.00 0.00 C ATOM 474 O VAL A 31 1.562 -1.120 -2.188 1.00 0.00 O ATOM 475 CB VAL A 31 -1.004 -2.580 -1.473 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.302 -2.464 -2.971 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.272 -3.925 -1.247 1.00 0.00 C ATOM 0 H VAL A 31 -0.479 0.545 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.567 -1.563 0.304 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.960 -2.580 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.727 -3.401 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.013 -1.655 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.378 -2.254 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.786 -4.715 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.755 -3.845 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.268 -4.163 -0.183 1.00 0.00 H new ATOM 487 N ASP A 32 1.869 -1.507 0.005 1.00 0.00 N ATOM 488 CA ASP A 32 3.245 -1.934 -0.039 1.00 0.00 C ATOM 489 C ASP A 32 3.502 -3.486 -0.369 1.00 0.00 C ATOM 490 O ASP A 32 3.244 -4.306 0.444 1.00 0.00 O ATOM 491 CB ASP A 32 3.837 -1.571 1.374 1.00 0.00 C ATOM 492 CG ASP A 32 5.380 -1.348 1.358 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.047 -0.774 2.168 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.048 -1.925 0.332 1.00 0.00 O ATOM 0 H ASP A 32 1.504 -1.467 0.957 1.00 0.00 H new ATOM 0 HA ASP A 32 3.729 -1.427 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.350 -0.668 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.600 -2.371 2.076 1.00 0.00 H new ATOM 500 N PHE A 33 4.012 -3.779 -1.582 1.00 0.00 N ATOM 501 CA PHE A 33 4.562 -5.058 -2.083 1.00 0.00 C ATOM 502 C PHE A 33 6.089 -5.058 -1.626 1.00 0.00 C ATOM 503 O PHE A 33 6.901 -4.343 -2.198 1.00 0.00 O ATOM 504 CB PHE A 33 4.328 -5.140 -3.597 1.00 0.00 C ATOM 505 CG PHE A 33 2.823 -5.405 -4.009 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.269 -6.692 -3.844 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.034 -4.393 -4.448 1.00 0.00 C ATOM 508 CE1 PHE A 33 0.912 -6.876 -4.301 1.00 0.00 C ATOM 509 CE2 PHE A 33 0.720 -4.535 -4.856 1.00 0.00 C ATOM 510 CZ PHE A 33 0.138 -5.788 -4.702 1.00 0.00 C ATOM 0 H PHE A 33 4.054 -3.060 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 33 4.084 -5.952 -1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.659 -4.208 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.950 -5.936 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.832 -7.499 -3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.464 -3.403 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.491 -7.870 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.169 -3.707 -5.277 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.917 -5.919 -4.894 1.00 0.00 H new ATOM 520 N THR A 34 6.344 -5.808 -0.580 1.00 0.00 N ATOM 521 CA THR A 34 7.657 -5.770 0.175 1.00 0.00 C ATOM 522 C THR A 34 7.783 -7.210 0.747 1.00 0.00 C ATOM 523 O THR A 34 6.870 -7.890 1.109 1.00 0.00 O ATOM 524 CB THR A 34 7.643 -4.613 1.220 1.00 0.00 C ATOM 525 OG1 THR A 34 8.918 -4.563 1.741 1.00 0.00 O ATOM 526 CG2 THR A 34 6.615 -4.764 2.339 1.00 0.00 C ATOM 0 H THR A 34 5.673 -6.474 -0.197 1.00 0.00 H new ATOM 0 HA THR A 34 8.538 -5.538 -0.424 1.00 0.00 H new ATOM 0 HB THR A 34 7.345 -3.693 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.092 -3.666 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.684 -3.911 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.614 -4.808 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.813 -5.681 2.893 1.00 0.00 H new ATOM 534 N ALA A 35 9.016 -7.606 0.763 1.00 0.00 N ATOM 535 CA ALA A 35 9.525 -8.913 1.324 1.00 0.00 C ATOM 536 C ALA A 35 9.545 -9.016 2.864 1.00 0.00 C ATOM 537 O ALA A 35 9.744 -8.048 3.593 1.00 0.00 O ATOM 538 CB ALA A 35 10.897 -8.996 0.608 1.00 0.00 C ATOM 0 H ALA A 35 9.767 -7.033 0.378 1.00 0.00 H new ATOM 0 HA ALA A 35 8.879 -9.770 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.411 -9.908 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.744 -9.007 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.502 -8.131 0.880 1.00 0.00 H new ATOM 544 N SER A 36 9.408 -10.214 3.447 1.00 0.00 N ATOM 545 CA SER A 36 9.951 -10.540 4.829 1.00 0.00 C ATOM 546 C SER A 36 11.451 -10.335 5.089 1.00 0.00 C ATOM 547 O SER A 36 11.829 -9.806 6.113 1.00 0.00 O ATOM 548 CB SER A 36 9.497 -12.058 5.137 1.00 0.00 C ATOM 549 OG SER A 36 9.771 -12.386 6.507 1.00 0.00 O ATOM 0 H SER A 36 8.927 -10.996 3.003 1.00 0.00 H new ATOM 0 HA SER A 36 9.530 -9.802 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.433 -12.176 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.027 -12.745 4.477 1.00 0.00 H new ATOM 0 HG SER A 36 9.491 -13.308 6.685 1.00 0.00 H new ATOM 555 N TRP A 37 12.269 -10.689 4.097 1.00 0.00 N ATOM 556 CA TRP A 37 13.696 -10.266 3.887 1.00 0.00 C ATOM 557 C TRP A 37 13.882 -8.733 3.554 1.00 0.00 C ATOM 558 O TRP A 37 14.246 -8.305 2.431 1.00 0.00 O ATOM 559 CB TRP A 37 14.357 -11.239 2.797 1.00 0.00 C ATOM 560 CG TRP A 37 13.697 -11.430 1.472 1.00 0.00 C ATOM 561 CD1 TRP A 37 12.848 -12.549 1.206 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.024 -10.857 0.216 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.447 -12.532 -0.095 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.165 -11.504 -0.703 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.093 -10.003 -0.246 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.436 -11.351 -2.048 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.322 -9.883 -1.599 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.454 -10.494 -2.501 1.00 0.00 C ATOM 0 H TRP A 37 11.953 -11.319 3.360 1.00 0.00 H new ATOM 0 HA TRP A 37 14.225 -10.370 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.367 -10.875 2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.454 -12.223 3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.566 -13.298 1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.761 -13.146 -0.535 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.706 -9.464 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.852 -11.903 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.170 -9.318 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.564 -10.307 -3.559 1.00 0.00 H new ATOM 579 N CYS A 38 13.418 -7.902 4.589 1.00 0.00 N ATOM 580 CA CYS A 38 13.333 -6.439 4.434 1.00 0.00 C ATOM 581 C CYS A 38 13.375 -5.757 5.795 1.00 0.00 C ATOM 582 O CYS A 38 12.353 -5.380 6.320 1.00 0.00 O ATOM 583 CB CYS A 38 12.136 -5.994 3.541 1.00 0.00 C ATOM 584 SG CYS A 38 12.371 -4.156 3.202 1.00 0.00 S ATOM 0 H CYS A 38 13.114 -8.246 5.500 1.00 0.00 H new ATOM 0 HA CYS A 38 14.213 -6.105 3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.116 -6.560 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.187 -6.177 4.046 1.00 0.00 H new ATOM 0 HG CYS A 38 11.214 -3.602 2.991 1.00 0.00 H new ATOM 590 N PRO A 39 14.569 -5.558 6.464 1.00 0.00 N ATOM 591 CA PRO A 39 14.874 -4.608 7.602 1.00 0.00 C ATOM 592 C PRO A 39 14.469 -3.114 7.330 1.00 0.00 C ATOM 593 O PRO A 39 13.838 -2.590 8.269 1.00 0.00 O ATOM 594 CB PRO A 39 16.396 -4.731 7.858 1.00 0.00 C ATOM 595 CG PRO A 39 16.869 -5.935 7.039 1.00 0.00 C ATOM 596 CD PRO A 39 15.794 -6.168 5.980 1.00 0.00 C ATOM 0 HA PRO A 39 14.276 -4.886 8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 39 16.917 -3.823 7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.602 -4.876 8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 39 17.836 -5.738 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.991 -6.814 7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.091 -5.729 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.650 -7.235 5.808 1.00 0.00 H new ATOM 604 N PRO A 40 14.776 -2.393 6.182 1.00 0.00 N ATOM 605 CA PRO A 40 14.175 -1.070 5.825 1.00 0.00 C ATOM 606 C PRO A 40 12.640 -0.879 5.997 1.00 0.00 C ATOM 607 O PRO A 40 12.136 0.121 6.518 1.00 0.00 O ATOM 608 CB PRO A 40 14.775 -0.772 4.484 1.00 0.00 C ATOM 609 CG PRO A 40 16.118 -1.465 4.389 1.00 0.00 C ATOM 610 CD PRO A 40 15.853 -2.764 5.251 1.00 0.00 C ATOM 0 HA PRO A 40 14.425 -0.308 6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.114 -1.118 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.895 0.304 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.387 -1.702 3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.925 -0.857 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.557 -3.602 4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.750 -3.070 5.788 1.00 0.00 H new ATOM 618 N CYS A 41 11.922 -1.789 5.456 1.00 0.00 N ATOM 619 CA CYS A 41 10.475 -1.983 5.731 1.00 0.00 C ATOM 620 C CYS A 41 9.971 -2.555 7.114 1.00 0.00 C ATOM 621 O CYS A 41 8.857 -2.210 7.485 1.00 0.00 O ATOM 622 CB CYS A 41 9.686 -2.624 4.622 1.00 0.00 C ATOM 623 SG CYS A 41 10.151 -1.958 3.062 1.00 0.00 S ATOM 0 H CYS A 41 12.297 -2.459 4.785 1.00 0.00 H new ATOM 0 HA CYS A 41 10.264 -0.916 5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.852 -3.701 4.627 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.621 -2.465 4.788 1.00 0.00 H new ATOM 0 HG CYS A 41 11.429 -2.118 2.885 1.00 0.00 H new ATOM 629 N LYS A 42 10.778 -3.264 7.875 1.00 0.00 N ATOM 630 CA LYS A 42 10.538 -3.527 9.271 1.00 0.00 C ATOM 631 C LYS A 42 10.520 -2.221 10.173 1.00 0.00 C ATOM 632 O LYS A 42 9.705 -2.129 11.056 1.00 0.00 O ATOM 633 CB LYS A 42 11.504 -4.723 9.642 1.00 0.00 C ATOM 634 CG LYS A 42 11.317 -5.441 10.978 1.00 0.00 C ATOM 635 CD LYS A 42 12.394 -6.589 11.251 1.00 0.00 C ATOM 636 CE LYS A 42 12.518 -7.190 12.629 1.00 0.00 C ATOM 637 NZ LYS A 42 11.242 -7.756 13.041 1.00 0.00 N ATOM 0 H LYS A 42 11.641 -3.683 7.527 1.00 0.00 H new ATOM 0 HA LYS A 42 9.523 -3.857 9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.420 -5.470 8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.525 -4.342 9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.369 -4.709 11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.319 -5.878 11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.182 -7.404 10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.371 -6.188 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.286 -7.964 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.834 -6.427 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.336 -8.168 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.520 -7.008 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.958 -8.497 12.369 1.00 0.00 H new ATOM 650 N MET A 43 11.311 -1.152 9.934 1.00 0.00 N ATOM 651 CA MET A 43 11.065 0.360 10.355 1.00 0.00 C ATOM 652 C MET A 43 9.876 1.113 9.651 1.00 0.00 C ATOM 653 O MET A 43 9.067 1.767 10.314 1.00 0.00 O ATOM 654 CB MET A 43 12.482 1.109 10.399 1.00 0.00 C ATOM 655 CG MET A 43 13.273 1.255 9.097 1.00 0.00 C ATOM 656 SD MET A 43 14.846 2.102 9.320 1.00 0.00 S ATOM 657 CE MET A 43 14.574 3.350 8.006 1.00 0.00 C ATOM 0 H MET A 43 12.189 -1.258 9.426 1.00 0.00 H new ATOM 0 HA MET A 43 10.649 0.369 11.362 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.316 2.109 10.799 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.114 0.581 11.113 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.456 0.266 8.677 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.671 1.803 8.372 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.438 4.012 7.949 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.438 2.847 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.684 3.935 8.238 1.00 0.00 H new ATOM 667 N ILE A 44 9.791 1.058 8.269 1.00 0.00 N ATOM 668 CA ILE A 44 8.599 1.586 7.483 1.00 0.00 C ATOM 669 C ILE A 44 7.191 1.137 7.902 1.00 0.00 C ATOM 670 O ILE A 44 6.274 1.916 7.831 1.00 0.00 O ATOM 671 CB ILE A 44 8.901 1.609 5.945 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.770 3.010 5.347 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.163 0.652 5.013 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.834 3.955 5.802 1.00 0.00 C ATOM 0 H ILE A 44 10.523 0.659 7.682 1.00 0.00 H new ATOM 0 HA ILE A 44 8.501 2.624 7.802 1.00 0.00 H new ATOM 0 HB ILE A 44 9.926 1.240 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.801 2.937 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.795 3.419 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.500 0.810 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.371 -0.376 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.091 0.838 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.678 4.929 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.790 4.058 6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.812 3.568 5.514 1.00 0.00 H new ATOM 686 N ALA A 45 6.988 -0.136 8.344 1.00 0.00 N ATOM 687 CA ALA A 45 5.714 -0.614 9.028 1.00 0.00 C ATOM 688 C ALA A 45 5.119 0.335 10.140 1.00 0.00 C ATOM 689 O ALA A 45 4.115 0.995 9.864 1.00 0.00 O ATOM 690 CB ALA A 45 6.005 -2.126 9.313 1.00 0.00 C ATOM 0 H ALA A 45 7.689 -0.870 8.245 1.00 0.00 H new ATOM 0 HA ALA A 45 4.814 -0.544 8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.145 -2.575 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.192 -2.644 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.881 -2.213 9.956 1.00 0.00 H new ATOM 696 N PRO A 46 5.753 0.541 11.281 1.00 0.00 N ATOM 697 CA PRO A 46 5.494 1.765 12.071 1.00 0.00 C ATOM 698 C PRO A 46 5.372 3.169 11.472 1.00 0.00 C ATOM 699 O PRO A 46 4.423 3.928 11.775 1.00 0.00 O ATOM 700 CB PRO A 46 6.596 1.628 13.135 1.00 0.00 C ATOM 701 CG PRO A 46 6.972 0.191 13.310 1.00 0.00 C ATOM 702 CD PRO A 46 6.792 -0.262 11.885 1.00 0.00 C ATOM 0 HA PRO A 46 4.446 1.764 12.372 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.471 2.207 12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.249 2.038 14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.993 0.062 13.669 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.320 -0.335 14.007 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.725 -0.154 11.332 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.523 -1.318 11.853 1.00 0.00 H new ATOM 710 N ILE A 47 6.234 3.567 10.526 1.00 0.00 N ATOM 711 CA ILE A 47 6.041 4.805 9.690 1.00 0.00 C ATOM 712 C ILE A 47 4.619 4.874 8.952 1.00 0.00 C ATOM 713 O ILE A 47 3.715 5.674 9.234 1.00 0.00 O ATOM 714 CB ILE A 47 7.267 5.119 8.777 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.551 5.335 9.605 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.111 6.217 7.727 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.578 6.541 10.510 1.00 0.00 C ATOM 0 H ILE A 47 7.088 3.056 10.304 1.00 0.00 H new ATOM 0 HA ILE A 47 6.002 5.636 10.395 1.00 0.00 H new ATOM 0 HB ILE A 47 7.344 4.212 8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.715 4.447 10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.392 5.408 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.042 6.323 7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.306 5.953 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.874 7.160 8.219 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.532 6.580 11.036 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.454 7.446 9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.767 6.470 11.235 1.00 0.00 H new ATOM 729 N PHE A 48 4.416 3.926 8.063 1.00 0.00 N ATOM 730 CA PHE A 48 3.134 3.665 7.372 1.00 0.00 C ATOM 731 C PHE A 48 1.928 3.532 8.346 1.00 0.00 C ATOM 732 O PHE A 48 0.843 3.974 7.925 1.00 0.00 O ATOM 733 CB PHE A 48 3.329 2.333 6.582 1.00 0.00 C ATOM 734 CG PHE A 48 2.344 1.821 5.497 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.899 2.625 4.385 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.880 0.521 5.599 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.317 2.020 3.316 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.275 -0.073 4.518 1.00 0.00 C ATOM 739 CZ PHE A 48 1.004 0.680 3.352 1.00 0.00 C ATOM 0 H PHE A 48 5.155 3.283 7.779 1.00 0.00 H new ATOM 0 HA PHE A 48 2.895 4.508 6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.304 2.403 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.399 1.542 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.027 3.697 4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.993 -0.024 6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.098 2.596 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.006 -1.118 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.553 0.205 2.493 1.00 0.00 H new ATOM 749 N ALA A 49 2.051 3.104 9.614 1.00 0.00 N ATOM 750 CA ALA A 49 1.097 3.197 10.741 1.00 0.00 C ATOM 751 C ALA A 49 0.901 4.655 11.321 1.00 0.00 C ATOM 752 O ALA A 49 -0.259 5.064 11.462 1.00 0.00 O ATOM 753 CB ALA A 49 1.356 2.145 11.807 1.00 0.00 C ATOM 0 H ALA A 49 2.908 2.636 9.909 1.00 0.00 H new ATOM 0 HA ALA A 49 0.124 2.962 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.629 2.256 12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.263 1.152 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.362 2.272 12.207 1.00 0.00 H new ATOM 759 N GLU A 50 1.914 5.455 11.637 1.00 0.00 N ATOM 760 CA GLU A 50 1.839 6.922 11.924 1.00 0.00 C ATOM 761 C GLU A 50 1.068 7.731 10.881 1.00 0.00 C ATOM 762 O GLU A 50 0.172 8.503 11.216 1.00 0.00 O ATOM 763 CB GLU A 50 3.220 7.432 12.330 1.00 0.00 C ATOM 764 CG GLU A 50 3.202 8.633 13.332 1.00 0.00 C ATOM 765 CD GLU A 50 3.222 10.090 12.818 1.00 0.00 C ATOM 766 OE1 GLU A 50 4.017 10.539 12.020 1.00 0.00 O ATOM 767 OE2 GLU A 50 2.139 10.804 13.262 1.00 0.00 O ATOM 0 H GLU A 50 2.868 5.100 11.709 1.00 0.00 H new ATOM 0 HA GLU A 50 1.198 7.089 12.790 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.779 6.610 12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.760 7.733 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.310 8.523 13.949 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.062 8.514 13.991 1.00 0.00 H new ATOM 775 N LEU A 51 1.540 7.625 9.610 1.00 0.00 N ATOM 776 CA LEU A 51 0.832 8.052 8.446 1.00 0.00 C ATOM 777 C LEU A 51 -0.627 7.565 8.318 1.00 0.00 C ATOM 778 O LEU A 51 -1.436 8.420 7.970 1.00 0.00 O ATOM 779 CB LEU A 51 1.688 7.578 7.248 1.00 0.00 C ATOM 780 CG LEU A 51 1.287 7.788 5.746 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.628 6.512 5.175 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.434 9.061 5.546 1.00 0.00 C ATOM 0 H LEU A 51 2.453 7.224 9.397 1.00 0.00 H new ATOM 0 HA LEU A 51 0.710 9.134 8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.666 8.043 7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.827 6.505 7.379 1.00 0.00 H new ATOM 0 HG LEU A 51 2.196 7.959 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.357 6.678 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.329 5.680 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.268 6.277 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.179 9.166 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.480 8.982 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.001 9.933 5.871 1.00 0.00 H new ATOM 794 N ALA A 52 -0.978 6.301 8.489 1.00 0.00 N ATOM 795 CA ALA A 52 -2.401 5.909 8.630 1.00 0.00 C ATOM 796 C ALA A 52 -3.350 6.696 9.620 1.00 0.00 C ATOM 797 O ALA A 52 -4.442 7.079 9.243 1.00 0.00 O ATOM 798 CB ALA A 52 -2.373 4.431 8.990 1.00 0.00 C ATOM 0 H ALA A 52 -0.318 5.525 8.535 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.869 6.168 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.393 4.067 9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.880 3.872 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.825 4.294 9.922 1.00 0.00 H new ATOM 804 N LYS A 53 -2.846 6.876 10.869 1.00 0.00 N ATOM 805 CA LYS A 53 -3.449 7.842 11.858 1.00 0.00 C ATOM 806 C LYS A 53 -3.564 9.318 11.360 1.00 0.00 C ATOM 807 O LYS A 53 -4.604 9.916 11.687 1.00 0.00 O ATOM 808 CB LYS A 53 -2.692 7.855 13.271 1.00 0.00 C ATOM 809 CG LYS A 53 -2.987 6.566 14.137 1.00 0.00 C ATOM 810 CD LYS A 53 -2.083 6.343 15.397 1.00 0.00 C ATOM 811 CE LYS A 53 -0.680 5.722 15.223 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.063 5.401 16.504 1.00 0.00 N ATOM 0 H LYS A 53 -2.031 6.375 11.224 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.458 7.447 11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.618 7.935 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.993 8.740 13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.025 6.607 14.466 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.892 5.693 13.491 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.955 7.310 15.883 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.637 5.710 16.089 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.756 4.817 14.620 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.041 6.416 14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.877 4.987 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.034 6.268 17.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.659 4.719 17.015 1.00 0.00 H new ATOM 825 N LYS A 54 -2.567 9.924 10.722 1.00 0.00 N ATOM 826 CA LYS A 54 -2.642 11.191 10.031 1.00 0.00 C ATOM 827 C LYS A 54 -3.778 11.417 8.861 1.00 0.00 C ATOM 828 O LYS A 54 -4.317 12.489 8.565 1.00 0.00 O ATOM 829 CB LYS A 54 -1.214 11.411 9.594 1.00 0.00 C ATOM 830 CG LYS A 54 -0.849 12.898 9.256 1.00 0.00 C ATOM 831 CD LYS A 54 0.636 13.178 8.948 1.00 0.00 C ATOM 832 CE LYS A 54 1.638 13.131 10.087 1.00 0.00 C ATOM 833 NZ LYS A 54 2.969 13.340 9.532 1.00 0.00 N ATOM 0 H LYS A 54 -1.634 9.513 10.675 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.038 11.954 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.550 11.059 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.019 10.796 8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.443 13.210 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.149 13.525 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.958 12.460 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.699 14.167 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.410 13.899 10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.586 12.170 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.673 13.312 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.178 12.591 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.007 14.266 9.061 1.00 0.00 H new ATOM 846 N PHE A 55 -4.118 10.239 8.278 1.00 0.00 N ATOM 847 CA PHE A 55 -4.738 10.117 6.956 1.00 0.00 C ATOM 848 C PHE A 55 -5.883 9.069 7.060 1.00 0.00 C ATOM 849 O PHE A 55 -5.633 7.929 6.716 1.00 0.00 O ATOM 850 CB PHE A 55 -3.606 9.870 5.944 1.00 0.00 C ATOM 851 CG PHE A 55 -3.156 11.258 5.305 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.832 11.975 4.327 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.887 11.748 5.760 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.386 13.179 3.838 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.425 12.983 5.204 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.202 13.689 4.267 1.00 0.00 C ATOM 0 H PHE A 55 -3.962 9.338 8.731 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.241 11.010 6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.759 9.393 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.944 9.190 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.751 11.567 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.305 11.208 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.976 13.720 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.467 13.379 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.856 14.639 3.888 1.00 0.00 H new ATOM 866 N PRO A 56 -7.099 9.414 7.607 1.00 0.00 N ATOM 867 CA PRO A 56 -8.409 8.681 7.487 1.00 0.00 C ATOM 868 C PRO A 56 -9.229 8.429 6.143 1.00 0.00 C ATOM 869 O PRO A 56 -10.087 7.518 6.116 1.00 0.00 O ATOM 870 CB PRO A 56 -9.255 9.340 8.585 1.00 0.00 C ATOM 871 CG PRO A 56 -8.846 10.784 8.481 1.00 0.00 C ATOM 872 CD PRO A 56 -7.345 10.788 8.163 1.00 0.00 C ATOM 0 HA PRO A 56 -8.137 7.628 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.323 9.206 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.038 8.926 9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.410 11.292 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.047 11.313 9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.090 11.564 7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.746 10.973 9.055 1.00 0.00 H new ATOM 880 N ASN A 57 -8.976 9.197 5.122 1.00 0.00 N ATOM 881 CA ASN A 57 -9.535 9.063 3.703 1.00 0.00 C ATOM 882 C ASN A 57 -9.111 7.760 2.888 1.00 0.00 C ATOM 883 O ASN A 57 -9.602 7.512 1.797 1.00 0.00 O ATOM 884 CB ASN A 57 -9.458 10.384 2.882 1.00 0.00 C ATOM 885 CG ASN A 57 -8.060 10.735 2.294 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.634 10.235 1.235 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.435 11.699 2.940 1.00 0.00 N ATOM 0 H ASN A 57 -8.345 9.994 5.206 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.595 8.878 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.172 10.321 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.779 11.206 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.558 12.071 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.828 12.073 3.804 1.00 0.00 H new ATOM 894 N VAL A 58 -8.177 6.930 3.556 1.00 0.00 N ATOM 895 CA VAL A 58 -7.274 6.055 2.827 1.00 0.00 C ATOM 896 C VAL A 58 -7.032 4.742 3.655 1.00 0.00 C ATOM 897 O VAL A 58 -6.415 4.785 4.682 1.00 0.00 O ATOM 898 CB VAL A 58 -6.139 7.026 2.331 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.393 7.982 3.313 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.148 6.260 1.481 1.00 0.00 C ATOM 0 H VAL A 58 -8.075 6.889 4.570 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.600 5.563 1.911 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.730 7.759 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.651 8.562 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.110 8.658 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.895 7.395 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.364 6.935 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.705 5.458 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.661 5.834 0.619 1.00 0.00 H new ATOM 910 N THR A 59 -7.521 3.548 3.243 1.00 0.00 N ATOM 911 CA THR A 59 -6.995 2.278 3.715 1.00 0.00 C ATOM 912 C THR A 59 -5.523 2.003 3.218 1.00 0.00 C ATOM 913 O THR A 59 -5.057 2.485 2.164 1.00 0.00 O ATOM 914 CB THR A 59 -7.910 1.081 3.209 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.233 1.262 3.743 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.573 -0.375 3.554 1.00 0.00 C ATOM 0 H THR A 59 -8.288 3.455 2.577 1.00 0.00 H new ATOM 0 HA THR A 59 -6.990 2.339 4.803 1.00 0.00 H new ATOM 0 HB THR A 59 -7.763 1.164 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.811 0.532 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.320 -1.035 3.114 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.589 -0.625 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.570 -0.501 4.637 1.00 0.00 H new ATOM 924 N PHE A 60 -4.812 1.177 4.009 1.00 0.00 N ATOM 925 CA PHE A 60 -3.449 0.647 3.900 1.00 0.00 C ATOM 926 C PHE A 60 -3.275 -0.841 4.285 1.00 0.00 C ATOM 927 O PHE A 60 -3.814 -1.354 5.311 1.00 0.00 O ATOM 928 CB PHE A 60 -2.399 1.569 4.633 1.00 0.00 C ATOM 929 CG PHE A 60 -2.351 3.066 4.293 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.672 3.635 3.230 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.215 3.878 5.087 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.703 4.989 2.981 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.231 5.238 4.849 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.613 5.783 3.750 1.00 0.00 C ATOM 0 H PHE A 60 -5.249 0.819 4.858 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.243 0.669 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.577 1.481 5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.409 1.157 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.099 2.996 2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.839 3.441 5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.064 5.436 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.742 5.889 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.813 6.806 3.467 1.00 0.00 H new ATOM 944 N LEU A 61 -2.604 -1.532 3.356 1.00 0.00 N ATOM 945 CA LEU A 61 -2.413 -3.017 3.289 1.00 0.00 C ATOM 946 C LEU A 61 -0.918 -3.350 2.895 1.00 0.00 C ATOM 947 O LEU A 61 -0.220 -2.495 2.317 1.00 0.00 O ATOM 948 CB LEU A 61 -3.607 -3.615 2.592 1.00 0.00 C ATOM 949 CG LEU A 61 -3.675 -3.749 1.030 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.934 -4.931 0.442 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.158 -3.853 0.585 1.00 0.00 C ATOM 0 H LEU A 61 -2.146 -1.058 2.577 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.449 -3.560 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.740 -4.617 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.475 -3.029 2.896 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.179 -2.854 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.046 -4.928 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.877 -4.861 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.345 -5.856 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.207 -3.946 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.615 -4.729 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.695 -2.957 0.897 1.00 0.00 H new ATOM 963 N LYS A 62 -0.470 -4.572 3.243 1.00 0.00 N ATOM 964 CA LYS A 62 1.013 -4.824 3.252 1.00 0.00 C ATOM 965 C LYS A 62 1.084 -6.348 3.005 1.00 0.00 C ATOM 966 O LYS A 62 0.938 -7.282 3.829 1.00 0.00 O ATOM 967 CB LYS A 62 1.819 -4.382 4.565 1.00 0.00 C ATOM 968 CG LYS A 62 1.332 -4.817 6.006 1.00 0.00 C ATOM 969 CD LYS A 62 2.314 -4.464 7.174 1.00 0.00 C ATOM 970 CE LYS A 62 1.844 -5.053 8.530 1.00 0.00 C ATOM 971 NZ LYS A 62 2.802 -4.746 9.537 1.00 0.00 N ATOM 0 H LYS A 62 -1.056 -5.364 3.508 1.00 0.00 H new ATOM 0 HA LYS A 62 1.512 -4.205 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.840 -4.746 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.866 -3.293 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.370 -4.345 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.164 -5.894 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.308 -4.845 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.400 -3.381 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.872 -4.641 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.721 -6.133 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.488 -5.140 10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.721 -5.159 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.898 -3.714 9.622 1.00 0.00 H new ATOM 984 N VAL A 63 1.469 -6.536 1.732 1.00 0.00 N ATOM 985 CA VAL A 63 1.822 -7.866 1.128 1.00 0.00 C ATOM 986 C VAL A 63 3.256 -8.290 1.490 1.00 0.00 C ATOM 987 O VAL A 63 4.211 -7.597 1.133 1.00 0.00 O ATOM 988 CB VAL A 63 1.503 -7.844 -0.362 1.00 0.00 C ATOM 989 CG1 VAL A 63 2.086 -9.003 -1.233 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.042 -7.781 -0.667 1.00 0.00 C ATOM 0 H VAL A 63 1.550 -5.766 1.069 1.00 0.00 H new ATOM 0 HA VAL A 63 1.205 -8.655 1.559 1.00 0.00 H new ATOM 0 HB VAL A 63 2.013 -6.926 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.784 -8.866 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.174 -8.995 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.708 -9.958 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.200 -7.768 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.533 -8.655 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.463 -6.877 -0.228 1.00 0.00 H new ATOM 1000 N ASP A 64 3.360 -9.394 2.246 1.00 0.00 N ATOM 1001 CA ASP A 64 4.572 -10.307 2.104 1.00 0.00 C ATOM 1002 C ASP A 64 4.502 -10.987 0.682 1.00 0.00 C ATOM 1003 O ASP A 64 3.753 -11.921 0.418 1.00 0.00 O ATOM 1004 CB ASP A 64 4.602 -11.352 3.235 1.00 0.00 C ATOM 1005 CG ASP A 64 5.792 -12.308 3.249 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.952 -12.069 2.792 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.479 -13.460 3.940 1.00 0.00 O ATOM 0 H ASP A 64 2.672 -9.692 2.938 1.00 0.00 H new ATOM 0 HA ASP A 64 5.495 -9.733 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.578 -10.824 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.689 -11.945 3.176 1.00 0.00 H new ATOM 1013 N VAL A 65 5.372 -10.470 -0.123 1.00 0.00 N ATOM 1014 CA VAL A 65 5.688 -10.878 -1.535 1.00 0.00 C ATOM 1015 C VAL A 65 6.281 -12.279 -1.882 1.00 0.00 C ATOM 1016 O VAL A 65 6.195 -12.712 -3.056 1.00 0.00 O ATOM 1017 CB VAL A 65 6.358 -9.605 -2.146 1.00 0.00 C ATOM 1018 CG1 VAL A 65 7.898 -9.530 -2.075 1.00 0.00 C ATOM 1019 CG2 VAL A 65 5.982 -9.477 -3.644 1.00 0.00 C ATOM 0 H VAL A 65 5.950 -9.684 0.174 1.00 0.00 H new ATOM 0 HA VAL A 65 4.765 -11.168 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 65 5.973 -8.799 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.238 -8.601 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.216 -9.560 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.329 -10.376 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.453 -8.587 -4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.329 -10.359 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.900 -9.395 -3.742 1.00 0.00 H new ATOM 1029 N ASP A 66 6.774 -13.006 -0.887 1.00 0.00 N ATOM 1030 CA ASP A 66 7.107 -14.450 -1.018 1.00 0.00 C ATOM 1031 C ASP A 66 5.940 -15.292 -1.595 1.00 0.00 C ATOM 1032 O ASP A 66 6.100 -15.888 -2.625 1.00 0.00 O ATOM 1033 CB ASP A 66 7.642 -15.059 0.305 1.00 0.00 C ATOM 1034 CG ASP A 66 8.895 -14.473 0.890 1.00 0.00 C ATOM 1035 OD1 ASP A 66 9.743 -13.694 0.394 1.00 0.00 O ATOM 1036 OD2 ASP A 66 8.939 -14.845 2.212 1.00 0.00 O ATOM 0 H ASP A 66 6.960 -12.626 0.041 1.00 0.00 H new ATOM 0 HA ASP A 66 7.916 -14.495 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.854 -14.979 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.816 -16.122 0.138 1.00 0.00 H new ATOM 1042 N GLU A 67 4.717 -15.344 -0.975 1.00 0.00 N ATOM 1043 CA GLU A 67 3.438 -15.923 -1.527 1.00 0.00 C ATOM 1044 C GLU A 67 2.802 -15.201 -2.825 1.00 0.00 C ATOM 1045 O GLU A 67 1.962 -15.893 -3.428 1.00 0.00 O ATOM 1046 CB GLU A 67 2.455 -15.787 -0.311 1.00 0.00 C ATOM 1047 CG GLU A 67 2.717 -16.741 0.933 1.00 0.00 C ATOM 1048 CD GLU A 67 2.178 -18.118 0.769 1.00 0.00 C ATOM 1049 OE1 GLU A 67 0.963 -18.368 0.698 1.00 0.00 O ATOM 1050 OE2 GLU A 67 3.104 -19.088 0.551 1.00 0.00 O ATOM 0 H GLU A 67 4.587 -14.968 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 67 3.627 -16.931 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.489 -14.755 0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.442 -15.969 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.791 -16.802 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.272 -16.292 1.821 1.00 0.00 H new ATOM 1058 N LEU A 68 3.138 -13.935 -3.160 1.00 0.00 N ATOM 1059 CA LEU A 68 2.370 -13.008 -3.996 1.00 0.00 C ATOM 1060 C LEU A 68 3.275 -12.050 -4.871 1.00 0.00 C ATOM 1061 O LEU A 68 2.884 -10.897 -5.175 1.00 0.00 O ATOM 1062 CB LEU A 68 1.303 -12.269 -3.109 1.00 0.00 C ATOM 1063 CG LEU A 68 0.123 -13.003 -2.433 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -0.725 -11.915 -1.802 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.719 -13.751 -3.337 1.00 0.00 C ATOM 0 H LEU A 68 4.007 -13.516 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 68 1.830 -13.582 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.854 -11.769 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.867 -11.489 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 68 0.532 -13.732 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.583 -12.366 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.129 -11.366 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.073 -11.231 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.519 -14.232 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.150 -13.075 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.124 -14.511 -3.844 1.00 0.00 H new ATOM 1077 N LYS A 69 4.374 -12.638 -5.423 1.00 0.00 N ATOM 1078 CA LYS A 69 5.204 -12.111 -6.541 1.00 0.00 C ATOM 1079 C LYS A 69 4.477 -11.955 -7.954 1.00 0.00 C ATOM 1080 O LYS A 69 4.673 -10.984 -8.632 1.00 0.00 O ATOM 1081 CB LYS A 69 6.599 -12.807 -6.565 1.00 0.00 C ATOM 1082 CG LYS A 69 6.544 -14.287 -6.797 1.00 0.00 C ATOM 1083 CD LYS A 69 7.960 -14.882 -6.789 1.00 0.00 C ATOM 1084 CE LYS A 69 8.096 -16.369 -7.132 1.00 0.00 C ATOM 1085 NZ LYS A 69 7.640 -17.254 -6.017 1.00 0.00 N ATOM 0 H LYS A 69 4.720 -13.535 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 69 5.381 -11.059 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.207 -12.351 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.103 -12.618 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.939 -14.761 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.061 -14.494 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.569 -14.316 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.388 -14.723 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.514 -16.587 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.137 -16.591 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.751 -18.250 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.212 -17.066 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.639 -17.063 -5.809 1.00 0.00 H new ATOM 1098 N ALA A 70 3.846 -12.994 -8.531 1.00 0.00 N ATOM 1099 CA ALA A 70 3.075 -12.968 -9.876 1.00 0.00 C ATOM 1100 C ALA A 70 2.215 -11.671 -10.051 1.00 0.00 C ATOM 1101 O ALA A 70 2.524 -10.897 -10.917 1.00 0.00 O ATOM 1102 CB ALA A 70 2.210 -14.176 -10.184 1.00 0.00 C ATOM 0 H ALA A 70 3.833 -13.917 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 70 3.890 -12.988 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.724 -14.039 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.832 -15.071 -10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.452 -14.288 -9.409 1.00 0.00 H new ATOM 1108 N VAL A 71 1.273 -11.366 -9.109 1.00 0.00 N ATOM 1109 CA VAL A 71 0.483 -10.103 -8.949 1.00 0.00 C ATOM 1110 C VAL A 71 1.309 -8.844 -8.686 1.00 0.00 C ATOM 1111 O VAL A 71 1.223 -7.916 -9.420 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.670 -10.433 -7.937 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.163 -10.606 -6.510 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.616 -9.217 -7.895 1.00 0.00 C ATOM 0 H VAL A 71 1.027 -12.045 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 71 0.039 -9.797 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.143 -11.357 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.001 -10.833 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.557 -11.424 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.318 -9.685 -6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.431 -9.414 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.063 -8.337 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.024 -9.039 -8.890 1.00 0.00 H new ATOM 1124 N ALA A 72 2.271 -8.897 -7.704 1.00 0.00 N ATOM 1125 CA ALA A 72 3.276 -7.788 -7.495 1.00 0.00 C ATOM 1126 C ALA A 72 3.890 -7.159 -8.762 1.00 0.00 C ATOM 1127 O ALA A 72 3.645 -6.026 -9.139 1.00 0.00 O ATOM 1128 CB ALA A 72 4.429 -8.170 -6.594 1.00 0.00 C ATOM 0 H ALA A 72 2.373 -9.678 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 72 2.636 -7.041 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.107 -7.323 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.047 -8.449 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.965 -9.014 -7.027 1.00 0.00 H new ATOM 1134 N GLU A 73 4.452 -8.052 -9.517 1.00 0.00 N ATOM 1135 CA GLU A 73 5.005 -7.831 -10.856 1.00 0.00 C ATOM 1136 C GLU A 73 3.893 -7.303 -11.859 1.00 0.00 C ATOM 1137 O GLU A 73 4.093 -6.211 -12.302 1.00 0.00 O ATOM 1138 CB GLU A 73 5.674 -9.158 -11.411 1.00 0.00 C ATOM 1139 CG GLU A 73 6.903 -9.593 -10.697 1.00 0.00 C ATOM 1140 CD GLU A 73 7.369 -11.026 -11.051 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.267 -11.952 -10.229 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.888 -11.180 -12.330 1.00 0.00 O ATOM 0 H GLU A 73 4.553 -9.021 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 73 5.774 -7.063 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.941 -9.963 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.917 -9.011 -12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.708 -8.895 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.725 -9.536 -9.623 1.00 0.00 H new ATOM 1150 N GLU A 74 2.679 -7.946 -12.056 1.00 0.00 N ATOM 1151 CA GLU A 74 1.542 -7.460 -12.958 1.00 0.00 C ATOM 1152 C GLU A 74 1.078 -5.995 -12.718 1.00 0.00 C ATOM 1153 O GLU A 74 1.062 -5.247 -13.684 1.00 0.00 O ATOM 1154 CB GLU A 74 0.366 -8.505 -13.010 1.00 0.00 C ATOM 1155 CG GLU A 74 -0.908 -8.460 -12.167 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.008 -9.536 -12.364 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.258 -10.504 -11.607 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -2.814 -9.211 -13.414 1.00 0.00 O ATOM 0 H GLU A 74 2.456 -8.826 -11.590 1.00 0.00 H new ATOM 0 HA GLU A 74 1.968 -7.404 -13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.033 -8.523 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.822 -9.473 -12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.605 -8.494 -11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.372 -7.488 -12.333 1.00 0.00 H new ATOM 1166 N TRP A 75 0.742 -5.458 -11.486 1.00 0.00 N ATOM 1167 CA TRP A 75 0.547 -4.024 -11.185 1.00 0.00 C ATOM 1168 C TRP A 75 1.739 -3.072 -11.487 1.00 0.00 C ATOM 1169 O TRP A 75 1.511 -2.021 -12.133 1.00 0.00 O ATOM 1170 CB TRP A 75 -0.080 -3.680 -9.821 1.00 0.00 C ATOM 1171 CG TRP A 75 -1.158 -4.607 -9.261 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -1.043 -5.051 -7.919 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.341 -5.194 -9.701 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -2.061 -5.949 -7.544 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.858 -6.046 -8.682 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.947 -5.184 -10.988 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.956 -6.862 -8.908 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.132 -5.962 -11.208 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.651 -6.725 -10.163 1.00 0.00 C ATOM 0 H TRP A 75 0.600 -6.048 -10.666 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.212 -3.816 -11.939 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.726 -3.628 -9.089 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.508 -2.680 -9.895 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.255 -4.733 -7.252 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.186 -6.419 -6.647 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.521 -4.598 -11.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.280 -7.578 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.617 -5.957 -12.173 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.598 -7.226 -10.297 1.00 0.00 H new ATOM 1190 N ASN A 76 2.940 -3.507 -11.073 1.00 0.00 N ATOM 1191 CA ASN A 76 4.203 -3.193 -11.820 1.00 0.00 C ATOM 1192 C ASN A 76 5.328 -3.097 -10.735 1.00 0.00 C ATOM 1193 O ASN A 76 5.608 -1.981 -10.217 1.00 0.00 O ATOM 1194 CB ASN A 76 4.249 -2.014 -12.752 1.00 0.00 C ATOM 1195 CG ASN A 76 5.462 -1.952 -13.660 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.514 -2.652 -14.665 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.547 -1.312 -13.329 1.00 0.00 N ATOM 0 H ASN A 76 3.079 -4.072 -10.236 1.00 0.00 H new ATOM 0 HA ASN A 76 4.320 -4.000 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.352 -2.026 -13.372 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.213 -1.101 -12.158 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.388 -1.406 -13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.555 -0.716 -12.501 1.00 0.00 H new ATOM 1204 N VAL A 77 6.002 -4.207 -10.431 1.00 0.00 N ATOM 1205 CA VAL A 77 6.964 -4.373 -9.292 1.00 0.00 C ATOM 1206 C VAL A 77 8.048 -5.375 -9.804 1.00 0.00 C ATOM 1207 O VAL A 77 8.070 -6.562 -9.586 1.00 0.00 O ATOM 1208 CB VAL A 77 6.293 -4.832 -7.931 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.280 -4.927 -6.744 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.192 -3.935 -7.497 1.00 0.00 C ATOM 0 H VAL A 77 5.903 -5.060 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 77 7.399 -3.410 -9.024 1.00 0.00 H new ATOM 0 HB VAL A 77 5.911 -5.824 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.744 -5.247 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.061 -5.650 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.731 -3.951 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.772 -4.301 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.580 -2.927 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.414 -3.918 -8.261 1.00 0.00 H new ATOM 1220 N GLU A 78 8.984 -4.775 -10.466 1.00 0.00 N ATOM 1221 CA GLU A 78 10.401 -5.255 -10.694 1.00 0.00 C ATOM 1222 C GLU A 78 11.462 -5.072 -9.557 1.00 0.00 C ATOM 1223 O GLU A 78 12.641 -5.359 -9.761 1.00 0.00 O ATOM 1224 CB GLU A 78 10.900 -4.565 -11.996 1.00 0.00 C ATOM 1225 CG GLU A 78 10.827 -3.009 -12.182 1.00 0.00 C ATOM 1226 CD GLU A 78 11.786 -2.103 -11.358 1.00 0.00 C ATOM 1227 OE1 GLU A 78 11.402 -1.411 -10.428 1.00 0.00 O ATOM 1228 OE2 GLU A 78 13.082 -2.262 -11.640 1.00 0.00 O ATOM 0 H GLU A 78 8.816 -3.872 -10.911 1.00 0.00 H new ATOM 0 HA GLU A 78 10.324 -6.341 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.944 -4.850 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.344 -5.009 -12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.999 -2.796 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.807 -2.699 -11.956 1.00 0.00 H new ATOM 1236 N ALA A 79 10.977 -4.529 -8.367 1.00 0.00 N ATOM 1237 CA ALA A 79 11.874 -4.084 -7.303 1.00 0.00 C ATOM 1238 C ALA A 79 11.191 -3.972 -5.899 1.00 0.00 C ATOM 1239 O ALA A 79 10.193 -3.312 -5.706 1.00 0.00 O ATOM 1240 CB ALA A 79 12.549 -2.715 -7.636 1.00 0.00 C ATOM 0 H ALA A 79 9.986 -4.407 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 79 12.628 -4.869 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.207 -2.425 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.131 -2.810 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.781 -1.954 -7.772 1.00 0.00 H new ATOM 1246 N MET A 80 11.878 -4.600 -4.945 1.00 0.00 N ATOM 1247 CA MET A 80 11.806 -4.248 -3.517 1.00 0.00 C ATOM 1248 C MET A 80 12.334 -2.748 -3.251 1.00 0.00 C ATOM 1249 O MET A 80 13.509 -2.489 -3.462 1.00 0.00 O ATOM 1250 CB MET A 80 12.336 -5.276 -2.530 1.00 0.00 C ATOM 1251 CG MET A 80 11.376 -6.415 -2.334 1.00 0.00 C ATOM 1252 SD MET A 80 10.581 -7.141 -3.867 1.00 0.00 S ATOM 1253 CE MET A 80 9.006 -6.246 -3.970 1.00 0.00 C ATOM 0 H MET A 80 12.509 -5.377 -5.139 1.00 0.00 H new ATOM 0 HA MET A 80 10.741 -4.270 -3.288 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.290 -5.663 -2.887 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.527 -4.794 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.904 -7.216 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.581 -6.076 -1.670 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.256 -6.883 -4.438 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.676 -5.974 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.139 -5.343 -4.566 1.00 0.00 H new ATOM 1263 N PRO A 81 11.537 -1.682 -2.745 1.00 0.00 N ATOM 1264 CA PRO A 81 10.044 -1.850 -2.496 1.00 0.00 C ATOM 1265 C PRO A 81 8.896 -0.713 -2.546 1.00 0.00 C ATOM 1266 O PRO A 81 9.132 0.453 -2.491 1.00 0.00 O ATOM 1267 CB PRO A 81 10.283 -2.308 -0.964 1.00 0.00 C ATOM 1268 CG PRO A 81 11.236 -1.146 -0.565 1.00 0.00 C ATOM 1269 CD PRO A 81 12.040 -0.720 -1.786 1.00 0.00 C ATOM 0 HA PRO A 81 9.594 -2.422 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.366 -2.333 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.745 -3.291 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.661 -0.303 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.906 -1.466 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.841 0.310 -2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.116 -0.805 -1.631 1.00 0.00 H new ATOM 1277 N THR A 82 7.742 -1.196 -3.050 1.00 0.00 N ATOM 1278 CA THR A 82 6.910 -0.475 -4.022 1.00 0.00 C ATOM 1279 C THR A 82 5.437 -0.546 -3.549 1.00 0.00 C ATOM 1280 O THR A 82 4.757 -1.594 -3.420 1.00 0.00 O ATOM 1281 CB THR A 82 7.076 -1.036 -5.419 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.454 -0.891 -5.738 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.335 -0.245 -6.493 1.00 0.00 C ATOM 0 H THR A 82 7.362 -2.106 -2.788 1.00 0.00 H new ATOM 0 HA THR A 82 7.226 0.567 -4.074 1.00 0.00 H new ATOM 0 HB THR A 82 6.691 -2.056 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.896 -1.764 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.502 -0.708 -7.466 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.268 -0.241 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.705 0.780 -6.510 1.00 0.00 H new ATOM 1291 N PHE A 83 4.986 0.743 -3.490 1.00 0.00 N ATOM 1292 CA PHE A 83 3.717 1.277 -2.997 1.00 0.00 C ATOM 1293 C PHE A 83 2.901 1.620 -4.309 1.00 0.00 C ATOM 1294 O PHE A 83 3.452 2.147 -5.293 1.00 0.00 O ATOM 1295 CB PHE A 83 4.018 2.625 -2.231 1.00 0.00 C ATOM 1296 CG PHE A 83 4.671 2.399 -0.882 1.00 0.00 C ATOM 1297 CD1 PHE A 83 3.925 2.249 0.292 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.070 2.432 -0.811 1.00 0.00 C ATOM 1299 CE1 PHE A 83 4.537 2.161 1.569 1.00 0.00 C ATOM 1300 CE2 PHE A 83 6.666 2.347 0.420 1.00 0.00 C ATOM 1301 CZ PHE A 83 5.956 2.249 1.627 1.00 0.00 C ATOM 0 H PHE A 83 5.581 1.499 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 83 3.189 0.591 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.668 3.249 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.087 3.174 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.848 2.199 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.666 2.522 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.947 2.032 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.745 2.356 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.473 2.241 2.575 1.00 0.00 H new ATOM 1311 N ILE A 84 1.682 1.175 -4.353 1.00 0.00 N ATOM 1312 CA ILE A 84 0.779 1.099 -5.519 1.00 0.00 C ATOM 1313 C ILE A 84 -0.587 1.663 -4.923 1.00 0.00 C ATOM 1314 O ILE A 84 -0.929 1.500 -3.733 1.00 0.00 O ATOM 1315 CB ILE A 84 0.735 -0.334 -6.200 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.698 -0.507 -7.452 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.667 -0.802 -6.478 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.657 -1.758 -7.320 1.00 0.00 C ATOM 0 H ILE A 84 1.230 0.818 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 84 1.100 1.683 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 84 1.149 -1.004 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.097 -0.610 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.299 0.395 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.636 -1.787 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.223 -0.860 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.159 -0.098 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.291 -1.825 -8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.281 -1.646 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.060 -2.666 -7.231 1.00 0.00 H new ATOM 1330 N PHE A 85 -1.267 2.408 -5.832 1.00 0.00 N ATOM 1331 CA PHE A 85 -2.227 3.488 -5.441 1.00 0.00 C ATOM 1332 C PHE A 85 -3.416 3.202 -6.464 1.00 0.00 C ATOM 1333 O PHE A 85 -3.240 3.328 -7.711 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.722 4.903 -5.503 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.611 5.347 -4.529 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.736 5.181 -4.832 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.974 5.945 -3.324 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.736 5.386 -3.875 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.034 6.201 -2.368 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.337 5.880 -2.619 1.00 0.00 C ATOM 0 H PHE A 85 -1.173 2.285 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.486 3.443 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.360 5.078 -6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.576 5.563 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.018 4.886 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.006 6.208 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.773 5.174 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.324 6.644 -1.427 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.071 6.018 -1.839 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.552 2.855 -5.889 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.861 2.434 -6.515 1.00 0.00 C ATOM 1352 C LEU A 86 -6.889 3.340 -5.846 1.00 0.00 C ATOM 1353 O LEU A 86 -7.133 3.391 -4.640 1.00 0.00 O ATOM 1354 CB LEU A 86 -6.028 0.906 -6.066 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.760 -0.066 -7.027 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -8.100 0.431 -7.430 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.820 -0.349 -8.192 1.00 0.00 C ATOM 0 H LEU A 86 -4.624 2.849 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.945 2.512 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.032 0.503 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.559 0.895 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.986 -1.006 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.568 -0.288 -8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.723 0.558 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.995 1.389 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.303 -1.032 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.582 0.584 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.902 -0.802 -7.817 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.635 3.932 -6.791 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.823 4.799 -6.638 1.00 0.00 C ATOM 1371 C LYS A 87 -10.145 4.042 -6.795 1.00 0.00 C ATOM 1372 O LYS A 87 -10.218 3.019 -7.407 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.694 5.997 -7.684 1.00 0.00 C ATOM 1374 CG LYS A 87 -9.115 7.413 -7.216 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.163 8.074 -6.130 1.00 0.00 C ATOM 1376 CE LYS A 87 -8.601 9.492 -5.835 1.00 0.00 C ATOM 1377 NZ LYS A 87 -7.668 10.273 -4.958 1.00 0.00 N ATOM 0 H LYS A 87 -7.403 3.807 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.848 5.189 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.655 6.047 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.291 5.743 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.158 8.068 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.124 7.359 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.181 7.483 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.134 8.072 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.719 10.024 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.582 9.462 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.049 11.230 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.572 9.794 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.736 10.338 -5.414 1.00 0.00 H new ATOM 1390 N ASP A 88 -11.250 4.640 -6.389 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.597 4.486 -7.120 1.00 0.00 C ATOM 1392 C ASP A 88 -12.608 5.076 -8.623 1.00 0.00 C ATOM 1393 O ASP A 88 -13.481 5.852 -8.997 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.792 4.940 -6.213 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.914 6.442 -5.898 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.495 7.236 -6.643 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -13.225 6.864 -4.795 1.00 0.00 O ATOM 0 H ASP A 88 -11.292 5.243 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.746 3.420 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.718 4.620 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.720 4.403 -5.267 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.672 4.669 -9.410 1.00 0.00 N ATOM 1404 CA GLY A 89 -11.487 4.947 -10.866 1.00 0.00 C ATOM 1405 C GLY A 89 -10.265 4.235 -11.560 1.00 0.00 C ATOM 1406 O GLY A 89 -9.702 4.859 -12.465 1.00 0.00 O ATOM 0 H GLY A 89 -10.925 4.073 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.397 4.653 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.377 6.023 -10.998 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.938 2.958 -11.127 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.762 2.054 -11.592 1.00 0.00 C ATOM 1412 C LYS A 90 -7.334 2.618 -11.046 1.00 0.00 C ATOM 1413 O LYS A 90 -7.324 3.617 -10.327 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.733 1.733 -13.098 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.848 0.750 -13.572 1.00 0.00 C ATOM 1416 CD LYS A 90 -11.309 1.357 -13.797 1.00 0.00 C ATOM 1417 CE LYS A 90 -12.241 0.205 -14.037 1.00 0.00 C ATOM 1418 NZ LYS A 90 -13.580 0.630 -14.372 1.00 0.00 N ATOM 0 H LYS A 90 -10.500 2.494 -10.413 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.949 1.085 -11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.826 2.664 -13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.761 1.307 -13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.523 0.296 -14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.925 -0.053 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.625 1.931 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.315 2.039 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.848 -0.413 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.276 -0.421 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.181 -0.205 -14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.970 1.197 -13.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.555 1.204 -15.239 1.00 0.00 H new ATOM 1431 N LEU A 91 -6.286 1.768 -11.384 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.830 2.022 -11.127 1.00 0.00 C ATOM 1433 C LEU A 91 -4.407 3.464 -11.522 1.00 0.00 C ATOM 1434 O LEU A 91 -4.104 3.764 -12.740 1.00 0.00 O ATOM 1435 CB LEU A 91 -4.150 0.824 -11.828 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.599 0.809 -11.521 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -2.240 0.318 -10.078 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.937 -0.061 -12.588 1.00 0.00 C ATOM 0 H LEU A 91 -6.448 0.875 -11.850 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.523 2.041 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.603 -0.108 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.313 0.885 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.226 1.833 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.158 0.337 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.707 0.975 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.605 -0.700 -9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.862 -0.098 -12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.347 -1.070 -12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.129 0.363 -13.574 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.342 4.366 -10.526 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.810 5.756 -10.608 1.00 0.00 C ATOM 1452 C VAL A 92 -2.251 5.792 -10.767 1.00 0.00 C ATOM 1453 O VAL A 92 -1.757 6.189 -11.863 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.464 6.711 -9.608 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.935 7.027 -10.039 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.334 6.531 -7.998 1.00 0.00 C ATOM 0 H VAL A 92 -4.675 4.142 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.136 6.198 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.780 7.554 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.387 7.708 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.933 7.492 -11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.510 6.102 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.882 7.329 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.749 5.567 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.284 6.576 -7.710 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.453 5.455 -9.712 1.00 0.00 N ATOM 1467 CA ASP A 93 -0.019 5.778 -9.605 1.00 0.00 C ATOM 1468 C ASP A 93 0.806 4.793 -8.709 1.00 0.00 C ATOM 1469 O ASP A 93 0.330 3.763 -8.278 1.00 0.00 O ATOM 1470 CB ASP A 93 0.151 7.339 -9.300 1.00 0.00 C ATOM 1471 CG ASP A 93 1.468 8.051 -9.648 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.450 8.151 -8.932 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.264 8.787 -10.689 1.00 0.00 O ATOM 0 H ASP A 93 -1.806 4.942 -8.904 1.00 0.00 H new ATOM 0 HA ASP A 93 0.456 5.599 -10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.648 7.861 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.023 7.482 -8.233 1.00 0.00 H new ATOM 1479 N LYS A 94 2.167 5.034 -8.628 1.00 0.00 N ATOM 1480 CA LYS A 94 3.204 4.148 -7.910 1.00 0.00 C ATOM 1481 C LYS A 94 4.543 4.878 -7.672 1.00 0.00 C ATOM 1482 O LYS A 94 4.862 5.855 -8.361 1.00 0.00 O ATOM 1483 CB LYS A 94 3.356 2.798 -8.656 1.00 0.00 C ATOM 1484 CG LYS A 94 3.748 2.842 -10.154 1.00 0.00 C ATOM 1485 CD LYS A 94 4.001 1.507 -10.847 1.00 0.00 C ATOM 1486 CE LYS A 94 4.174 1.691 -12.393 1.00 0.00 C ATOM 1487 NZ LYS A 94 2.938 1.241 -13.209 1.00 0.00 N ATOM 0 H LYS A 94 2.592 5.854 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 94 2.834 3.925 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.106 2.207 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.411 2.261 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.956 3.359 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.648 3.449 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.896 1.043 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.170 0.830 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.378 2.740 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.044 1.124 -12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.118 1.389 -14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.755 0.232 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.109 1.799 -12.920 1.00 0.00 H new ATOM 1500 N THR A 95 5.319 4.351 -6.696 1.00 0.00 N ATOM 1501 CA THR A 95 6.603 4.940 -6.283 1.00 0.00 C ATOM 1502 C THR A 95 7.314 3.757 -5.552 1.00 0.00 C ATOM 1503 O THR A 95 6.897 3.160 -4.551 1.00 0.00 O ATOM 1504 CB THR A 95 6.574 6.292 -5.502 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.096 7.293 -6.404 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.973 6.738 -4.884 1.00 0.00 C ATOM 0 H THR A 95 5.069 3.509 -6.178 1.00 0.00 H new ATOM 0 HA THR A 95 7.152 5.308 -7.150 1.00 0.00 H new ATOM 0 HB THR A 95 5.921 6.159 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.732 6.864 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.854 7.687 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.320 5.979 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.704 6.854 -5.684 1.00 0.00 H new ATOM 1514 N VAL A 96 8.562 3.588 -5.917 1.00 0.00 N ATOM 1515 CA VAL A 96 9.519 2.532 -5.538 1.00 0.00 C ATOM 1516 C VAL A 96 10.699 3.217 -4.650 1.00 0.00 C ATOM 1517 O VAL A 96 11.573 3.904 -5.183 1.00 0.00 O ATOM 1518 CB VAL A 96 9.854 1.657 -6.774 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.131 2.496 -8.041 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.917 0.590 -6.559 1.00 0.00 C ATOM 0 H VAL A 96 8.997 4.252 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 96 9.131 1.770 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 96 8.935 1.094 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.360 1.832 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.251 3.092 -8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.978 3.158 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.072 0.038 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.852 1.063 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.590 -0.097 -5.778 1.00 0.00 H new ATOM 1530 N GLY A 97 10.603 3.111 -3.318 1.00 0.00 N ATOM 1531 CA GLY A 97 11.670 3.532 -2.299 1.00 0.00 C ATOM 1532 C GLY A 97 11.285 3.193 -0.815 1.00 0.00 C ATOM 1533 O GLY A 97 10.414 2.400 -0.501 1.00 0.00 O ATOM 0 H GLY A 97 9.772 2.724 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.610 3.038 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.841 4.605 -2.386 1.00 0.00 H new ATOM 1537 N ALA A 98 12.023 3.910 0.104 1.00 0.00 N ATOM 1538 CA ALA A 98 11.918 3.657 1.611 1.00 0.00 C ATOM 1539 C ALA A 98 12.540 4.911 2.372 1.00 0.00 C ATOM 1540 O ALA A 98 13.770 4.995 2.382 1.00 0.00 O ATOM 1541 CB ALA A 98 12.599 2.413 2.112 1.00 0.00 C ATOM 0 H ALA A 98 12.680 4.647 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 98 10.857 3.511 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.462 2.332 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.166 1.540 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.664 2.464 1.884 1.00 0.00 H new ATOM 1547 N ASP A 99 11.640 5.798 2.894 1.00 0.00 N ATOM 1548 CA ASP A 99 12.039 7.146 3.420 1.00 0.00 C ATOM 1549 C ASP A 99 10.910 7.579 4.436 1.00 0.00 C ATOM 1550 O ASP A 99 9.711 7.587 4.118 1.00 0.00 O ATOM 1551 CB ASP A 99 12.330 8.107 2.282 1.00 0.00 C ATOM 1552 CG ASP A 99 13.044 9.354 2.823 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.566 10.478 2.797 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.266 9.096 3.404 1.00 0.00 O ATOM 0 H ASP A 99 10.640 5.608 2.962 1.00 0.00 H new ATOM 0 HA ASP A 99 12.982 7.135 3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.951 7.618 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.401 8.394 1.790 1.00 0.00 H new ATOM 1560 N LYS A 100 11.384 7.962 5.641 1.00 0.00 N ATOM 1561 CA LYS A 100 10.617 8.320 6.867 1.00 0.00 C ATOM 1562 C LYS A 100 9.541 9.491 6.726 1.00 0.00 C ATOM 1563 O LYS A 100 8.334 9.230 6.992 1.00 0.00 O ATOM 1564 CB LYS A 100 11.614 8.493 7.982 1.00 0.00 C ATOM 1565 CG LYS A 100 12.729 9.583 8.014 1.00 0.00 C ATOM 1566 CD LYS A 100 13.819 9.442 9.086 1.00 0.00 C ATOM 1567 CE LYS A 100 14.795 10.594 9.148 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.986 10.237 10.002 1.00 0.00 N ATOM 0 H LYS A 100 12.389 8.037 5.801 1.00 0.00 H new ATOM 0 HA LYS A 100 9.938 7.499 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.028 8.635 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.126 7.536 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.215 9.598 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.249 10.553 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.341 9.336 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.374 8.522 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.126 10.851 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.300 11.475 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.645 11.041 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.667 10.014 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.468 9.409 9.597 1.00 0.00 H new ATOM 1581 N ASP A 101 9.985 10.682 6.378 1.00 0.00 N ATOM 1582 CA ASP A 101 9.129 11.735 5.742 1.00 0.00 C ATOM 1583 C ASP A 101 8.670 11.536 4.257 1.00 0.00 C ATOM 1584 O ASP A 101 7.550 11.793 3.841 1.00 0.00 O ATOM 1585 CB ASP A 101 9.872 13.063 5.844 1.00 0.00 C ATOM 1586 CG ASP A 101 11.320 13.269 5.239 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.227 12.499 5.567 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.409 14.247 4.310 1.00 0.00 O ATOM 0 H ASP A 101 10.952 10.975 6.518 1.00 0.00 H new ATOM 0 HA ASP A 101 8.194 11.685 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.231 13.816 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.939 13.304 6.905 1.00 0.00 H new ATOM 1594 N GLY A 102 9.593 11.116 3.391 1.00 0.00 N ATOM 1595 CA GLY A 102 9.256 10.728 1.957 1.00 0.00 C ATOM 1596 C GLY A 102 7.877 9.993 1.595 1.00 0.00 C ATOM 1597 O GLY A 102 7.073 10.539 0.875 1.00 0.00 O ATOM 0 H GLY A 102 10.582 11.025 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.295 11.641 1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.062 10.084 1.604 1.00 0.00 H new ATOM 1601 N LEU A 103 7.579 8.873 2.268 1.00 0.00 N ATOM 1602 CA LEU A 103 6.268 8.201 2.242 1.00 0.00 C ATOM 1603 C LEU A 103 5.116 9.117 2.768 1.00 0.00 C ATOM 1604 O LEU A 103 4.265 9.300 1.916 1.00 0.00 O ATOM 1605 CB LEU A 103 6.371 6.736 2.836 1.00 0.00 C ATOM 1606 CG LEU A 103 5.024 6.054 3.099 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.390 5.501 1.774 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.198 4.934 4.181 1.00 0.00 C ATOM 0 H LEU A 103 8.258 8.396 2.861 1.00 0.00 H new ATOM 0 HA LEU A 103 5.960 8.035 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.946 6.119 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.931 6.776 3.770 1.00 0.00 H new ATOM 0 HG LEU A 103 4.325 6.795 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.436 5.024 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.229 6.323 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.064 4.771 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.237 4.453 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.914 4.193 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.564 5.377 5.107 1.00 0.00 H new ATOM 1620 N PRO A 104 4.981 9.782 4.008 1.00 0.00 N ATOM 1621 CA PRO A 104 4.015 10.848 4.308 1.00 0.00 C ATOM 1622 C PRO A 104 3.895 12.076 3.260 1.00 0.00 C ATOM 1623 O PRO A 104 2.745 12.476 2.940 1.00 0.00 O ATOM 1624 CB PRO A 104 4.473 11.315 5.689 1.00 0.00 C ATOM 1625 CG PRO A 104 5.260 10.145 6.235 1.00 0.00 C ATOM 1626 CD PRO A 104 5.861 9.418 5.091 1.00 0.00 C ATOM 0 HA PRO A 104 2.999 10.458 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.088 12.212 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.625 11.557 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.037 10.494 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.610 9.483 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.889 9.730 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.880 8.341 5.257 1.00 0.00 H new ATOM 1634 N THR A 105 4.951 12.442 2.633 1.00 0.00 N ATOM 1635 CA THR A 105 4.999 13.460 1.507 1.00 0.00 C ATOM 1636 C THR A 105 4.148 13.031 0.284 1.00 0.00 C ATOM 1637 O THR A 105 3.194 13.718 -0.046 1.00 0.00 O ATOM 1638 CB THR A 105 6.485 13.838 1.120 1.00 0.00 C ATOM 1639 OG1 THR A 105 7.125 14.280 2.335 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.650 14.999 0.188 1.00 0.00 C ATOM 0 H THR A 105 5.870 12.060 2.855 1.00 0.00 H new ATOM 0 HA THR A 105 4.536 14.372 1.883 1.00 0.00 H new ATOM 0 HB THR A 105 6.891 12.952 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.306 13.507 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.710 15.163 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.139 14.787 -0.751 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.221 15.893 0.641 1.00 0.00 H new ATOM 1648 N LEU A 106 4.611 11.912 -0.246 1.00 0.00 N ATOM 1649 CA LEU A 106 3.965 11.194 -1.374 1.00 0.00 C ATOM 1650 C LEU A 106 2.442 10.882 -1.213 1.00 0.00 C ATOM 1651 O LEU A 106 1.638 11.390 -2.009 1.00 0.00 O ATOM 1652 CB LEU A 106 4.779 9.825 -1.542 1.00 0.00 C ATOM 1653 CG LEU A 106 4.193 8.764 -2.580 1.00 0.00 C ATOM 1654 CD1 LEU A 106 4.552 9.139 -4.040 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.707 7.339 -2.224 1.00 0.00 C ATOM 0 H LEU A 106 5.459 11.455 0.088 1.00 0.00 H new ATOM 0 HA LEU A 106 4.001 11.850 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.797 10.070 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.843 9.345 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 106 3.106 8.774 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.137 8.395 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.136 10.118 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.636 9.168 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.304 6.618 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.796 7.323 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.382 7.076 -1.218 1.00 0.00 H new ATOM 1667 N VAL A 107 2.064 10.126 -0.173 1.00 0.00 N ATOM 1668 CA VAL A 107 0.625 9.969 0.256 1.00 0.00 C ATOM 1669 C VAL A 107 -0.181 11.264 0.402 1.00 0.00 C ATOM 1670 O VAL A 107 -1.300 11.374 -0.163 1.00 0.00 O ATOM 1671 CB VAL A 107 0.584 8.989 1.479 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.859 8.758 2.081 1.00 0.00 C ATOM 1673 CG2 VAL A 107 1.201 7.535 1.070 1.00 0.00 C ATOM 0 H VAL A 107 2.722 9.602 0.404 1.00 0.00 H new ATOM 0 HA VAL A 107 0.068 9.519 -0.566 1.00 0.00 H new ATOM 0 HB VAL A 107 1.185 9.476 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.796 8.068 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.268 9.709 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.510 8.337 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.164 6.869 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.616 7.108 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.236 7.656 0.749 1.00 0.00 H new ATOM 1683 N ALA A 108 0.352 12.258 1.143 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.240 13.639 1.291 1.00 0.00 C ATOM 1685 C ALA A 108 -0.592 14.259 -0.086 1.00 0.00 C ATOM 1686 O ALA A 108 -1.685 14.667 -0.367 1.00 0.00 O ATOM 1687 CB ALA A 108 0.585 14.530 2.146 1.00 0.00 C ATOM 0 H ALA A 108 1.218 12.140 1.670 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.182 13.528 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.110 15.509 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.674 14.098 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.577 14.639 1.708 1.00 0.00 H new ATOM 1693 N LYS A 109 0.413 14.277 -0.934 1.00 0.00 N ATOM 1694 CA LYS A 109 0.226 14.544 -2.377 1.00 0.00 C ATOM 1695 C LYS A 109 -0.828 13.783 -3.166 1.00 0.00 C ATOM 1696 O LYS A 109 -1.613 14.451 -3.780 1.00 0.00 O ATOM 1697 CB LYS A 109 1.659 14.656 -3.060 1.00 0.00 C ATOM 1698 CG LYS A 109 2.581 15.817 -2.587 1.00 0.00 C ATOM 1699 CD LYS A 109 4.095 15.746 -3.039 1.00 0.00 C ATOM 1700 CE LYS A 109 4.895 17.010 -2.600 1.00 0.00 C ATOM 1701 NZ LYS A 109 6.270 17.172 -3.097 1.00 0.00 N ATOM 0 H LYS A 109 1.382 14.111 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.296 15.500 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.187 13.717 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.514 14.756 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.161 16.755 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.552 15.854 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.559 14.857 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.145 15.643 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.325 17.887 -2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.932 17.018 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.673 18.055 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.849 16.367 -2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.261 17.209 -4.136 1.00 0.00 H new ATOM 1714 N HIS A 110 -0.910 12.426 -3.112 1.00 0.00 N ATOM 1715 CA HIS A 110 -1.976 11.578 -3.713 1.00 0.00 C ATOM 1716 C HIS A 110 -3.485 11.766 -3.201 1.00 0.00 C ATOM 1717 O HIS A 110 -4.452 11.803 -3.976 1.00 0.00 O ATOM 1718 CB HIS A 110 -1.499 10.076 -3.652 1.00 0.00 C ATOM 1719 CG HIS A 110 -0.443 9.628 -4.681 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -0.486 9.943 -6.051 1.00 0.00 N ATOM 1721 CD2 HIS A 110 0.866 9.156 -4.317 1.00 0.00 C ATOM 1722 CE1 HIS A 110 0.809 9.635 -6.385 1.00 0.00 C ATOM 1723 NE2 HIS A 110 1.675 9.031 -5.500 1.00 0.00 N ATOM 0 H HIS A 110 -0.205 11.870 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.081 11.935 -4.737 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.099 9.889 -2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.375 9.439 -3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -1.252 10.295 -6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 110 1.191 8.931 -3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 110 1.162 9.875 -7.377 1.00 0.00 H new ATOM 1731 N ALA A 111 -3.604 11.806 -1.893 1.00 0.00 N ATOM 1732 CA ALA A 111 -4.856 12.036 -1.126 1.00 0.00 C ATOM 1733 C ALA A 111 -5.567 13.455 -1.261 1.00 0.00 C ATOM 1734 O ALA A 111 -6.770 13.530 -1.584 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.621 11.545 0.353 1.00 0.00 C ATOM 0 H ALA A 111 -2.798 11.674 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.629 11.434 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.527 11.704 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.373 10.484 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.800 12.108 0.797 1.00 0.00 H new