USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 787 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 35 GLN : amide:sc= -6.43! C(o=-6.9!,f=-7.1!) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= -0.493 USER MOD Set 2.1: A 19 THR OG1 : rot -112:sc= 0.603 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.621 USER MOD Set 3.1: A 37 TYR OH : rot -130:sc= 1.36 USER MOD Set 3.2: A 47 THR OG1 : rot -87:sc= 1.28 USER MOD Set 4.1: A 28 SER OG : rot 171:sc= -0.152 USER MOD Set 4.2: A 32 ASN : amide:sc= -4.94! C(o=-5.1!,f=-7.8!) USER MOD Set 5.1: A 13 SER OG : rot -150:sc= 0.367 USER MOD Set 5.2: A 16 LYS NZ :NH3+ -173:sc= 0.534 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -0.33 K(o=-0.33,f=-1) USER MOD Single : A 1 ASN N :NH3+ -179:sc= -0.952 (180deg=-1.04) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 6 GLN : amide:sc= -12.5! C(o=-13!,f=-12!) USER MOD Single : A 8 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=0.013) USER MOD Single : A 9 SER OG : rot -38:sc= 0.00561! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.144 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 25 SER OG : rot -171:sc= 0.442 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.53! C(o=-2.5!,f=-9.2!) USER MOD Single : A 39 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.2!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.558 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 62:sc= 0.131 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 54 GLN : amide:sc= -8.75! K(o=-8.7!,f=-3.9) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=0.000733 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 102:sc= -0.0328! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -24:sc= -0.308! USER MOD Single : A 90 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 92 GLN : amide:sc= 1.1 K(o=1.1,f=-1) USER MOD Single : A 93 SER OG : rot -1:sc= -1.31! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0366 USER MOD Single : A 98 ASN : amide:sc= -4.23! K(o=-4.2!,f=-0.97) USER MOD Single : A 99 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 106 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 107 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.05) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 82.265 20.209 9.074 1.00 0.00 N ATOM 2 CA ASN A 1 82.832 19.284 10.095 1.00 0.00 C ATOM 3 C ASN A 1 82.555 17.847 9.663 1.00 0.00 C ATOM 4 O ASN A 1 83.112 16.904 10.225 1.00 0.00 O ATOM 5 CB ASN A 1 82.188 19.565 11.455 1.00 0.00 C ATOM 6 CG ASN A 1 80.731 19.975 11.263 1.00 0.00 C ATOM 7 OD1 ASN A 1 80.452 21.118 10.904 1.00 0.00 O ATOM 8 ND2 ASN A 1 79.784 19.098 11.453 1.00 0.00 N ATOM 0 H1 ASN A 1 82.462 21.192 9.349 1.00 0.00 H new ATOM 0 H2 ASN A 1 82.699 20.014 8.149 1.00 0.00 H new ATOM 0 H3 ASN A 1 81.237 20.067 9.010 1.00 0.00 H new ATOM 0 HA ASN A 1 83.908 19.434 10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 1 82.245 18.677 12.085 1.00 0.00 H new ATOM 0 HB3 ASN A 1 82.733 20.357 11.969 1.00 0.00 H new ATOM 0 HD21 ASN A 1 78.809 19.359 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 1 80.018 18.151 11.751 1.00 0.00 H new ATOM 17 N PHE A 2 81.595 17.686 8.757 1.00 0.00 N ATOM 18 CA PHE A 2 81.203 16.360 8.296 1.00 0.00 C ATOM 19 C PHE A 2 82.430 15.616 7.776 1.00 0.00 C ATOM 20 O PHE A 2 83.216 16.164 7.003 1.00 0.00 O ATOM 21 CB PHE A 2 80.131 16.466 7.203 1.00 0.00 C ATOM 22 CG PHE A 2 79.413 17.790 7.308 1.00 0.00 C ATOM 23 CD1 PHE A 2 79.974 18.932 6.724 1.00 0.00 C ATOM 24 CD2 PHE A 2 78.209 17.883 8.016 1.00 0.00 C ATOM 25 CE1 PHE A 2 79.338 20.172 6.863 1.00 0.00 C ATOM 26 CE2 PHE A 2 77.555 19.117 8.120 1.00 0.00 C ATOM 27 CZ PHE A 2 78.132 20.265 7.566 1.00 0.00 C ATOM 0 H PHE A 2 81.077 18.454 8.330 1.00 0.00 H new ATOM 0 HA PHE A 2 80.779 15.803 9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 2 80.592 16.370 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 2 79.418 15.648 7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 2 80.896 18.857 6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 2 77.785 17.005 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 2 79.779 21.057 6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 2 76.604 19.183 8.628 1.00 0.00 H new ATOM 0 HZ PHE A 2 77.646 21.223 7.681 1.00 0.00 H new ATOM 37 N MET A 3 82.617 14.385 8.241 1.00 0.00 N ATOM 38 CA MET A 3 83.735 13.561 7.792 1.00 0.00 C ATOM 39 C MET A 3 83.277 12.116 7.625 1.00 0.00 C ATOM 40 O MET A 3 82.158 11.778 8.006 1.00 0.00 O ATOM 41 CB MET A 3 84.880 13.629 8.809 1.00 0.00 C ATOM 42 CG MET A 3 86.231 13.566 8.092 1.00 0.00 C ATOM 43 SD MET A 3 87.571 13.736 9.296 1.00 0.00 S ATOM 44 CE MET A 3 88.848 14.211 8.105 1.00 0.00 C ATOM 0 H MET A 3 82.010 13.936 8.927 1.00 0.00 H new ATOM 0 HA MET A 3 84.090 13.938 6.833 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.809 14.551 9.386 1.00 0.00 H new ATOM 0 HB3 MET A 3 84.797 12.804 9.516 1.00 0.00 H new ATOM 0 HG2 MET A 3 86.326 12.620 7.559 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.296 14.360 7.348 1.00 0.00 H new ATOM 0 HE1 MET A 3 89.791 14.374 8.628 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.974 13.416 7.370 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.550 15.129 7.599 1.00 0.00 H new ATOM 54 N LEU A 4 84.127 11.282 7.031 1.00 0.00 N ATOM 55 CA LEU A 4 83.816 9.870 6.846 1.00 0.00 C ATOM 56 C LEU A 4 84.954 9.022 7.407 1.00 0.00 C ATOM 57 O LEU A 4 86.004 8.883 6.780 1.00 0.00 O ATOM 58 CB LEU A 4 83.600 9.608 5.348 1.00 0.00 C ATOM 59 CG LEU A 4 82.180 9.101 5.067 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.859 9.298 3.581 1.00 0.00 C ATOM 61 CD2 LEU A 4 82.034 7.630 5.482 1.00 0.00 C ATOM 0 H LEU A 4 85.039 11.562 6.669 1.00 0.00 H new ATOM 0 HA LEU A 4 82.905 9.600 7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.778 10.526 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 4 84.326 8.874 4.997 1.00 0.00 H new ATOM 0 HG LEU A 4 81.467 9.674 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.850 8.939 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.925 10.357 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.573 8.738 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 4 81.019 7.292 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.742 7.021 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.238 7.531 6.548 1.00 0.00 H new ATOM 73 N THR A 5 84.747 8.445 8.588 1.00 0.00 N ATOM 74 CA THR A 5 85.775 7.620 9.215 1.00 0.00 C ATOM 75 C THR A 5 85.545 6.146 8.897 1.00 0.00 C ATOM 76 O THR A 5 84.510 5.575 9.242 1.00 0.00 O ATOM 77 CB THR A 5 85.767 7.824 10.734 1.00 0.00 C ATOM 78 OG1 THR A 5 84.431 8.016 11.174 1.00 0.00 O ATOM 79 CG2 THR A 5 86.609 9.043 11.113 1.00 0.00 C ATOM 0 H THR A 5 83.885 8.532 9.126 1.00 0.00 H new ATOM 0 HA THR A 5 86.744 7.922 8.817 1.00 0.00 H new ATOM 0 HB THR A 5 86.192 6.942 11.212 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.422 8.145 12.145 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.593 9.174 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.636 8.893 10.781 1.00 0.00 H new ATOM 0 HG23 THR A 5 86.199 9.932 10.634 1.00 0.00 H new ATOM 87 N GLN A 6 86.532 5.529 8.253 1.00 0.00 N ATOM 88 CA GLN A 6 86.446 4.123 7.868 1.00 0.00 C ATOM 89 C GLN A 6 87.833 3.491 7.952 1.00 0.00 C ATOM 90 O GLN A 6 88.843 4.193 7.900 1.00 0.00 O ATOM 91 CB GLN A 6 85.855 3.993 6.456 1.00 0.00 C ATOM 92 CG GLN A 6 85.619 5.364 5.818 1.00 0.00 C ATOM 93 CD GLN A 6 85.045 5.193 4.415 1.00 0.00 C ATOM 94 OE1 GLN A 6 84.516 6.143 3.837 1.00 0.00 O ATOM 95 NE2 GLN A 6 85.138 4.034 3.824 1.00 0.00 N ATOM 0 H GLN A 6 87.405 5.983 7.986 1.00 0.00 H new ATOM 0 HA GLN A 6 85.782 3.594 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.531 3.411 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 6 84.914 3.446 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.933 5.947 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 6 86.556 5.919 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 6 85.577 3.249 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.772 3.912 2.880 1.00 0.00 H new ATOM 104 N PRO A 7 87.910 2.190 7.878 1.00 0.00 N ATOM 105 CA PRO A 7 89.210 1.476 8.006 1.00 0.00 C ATOM 106 C PRO A 7 90.240 2.029 7.026 1.00 0.00 C ATOM 107 O PRO A 7 89.893 2.476 5.933 1.00 0.00 O ATOM 108 CB PRO A 7 88.874 0.008 7.707 1.00 0.00 C ATOM 109 CG PRO A 7 87.402 -0.062 7.441 1.00 0.00 C ATOM 110 CD PRO A 7 86.782 1.247 7.937 1.00 0.00 C ATOM 0 HA PRO A 7 89.656 1.598 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.438 -0.348 6.845 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.144 -0.628 8.550 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.211 -0.198 6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 7 86.960 -0.915 7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.955 1.567 7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.390 1.150 8.949 1.00 0.00 H new ATOM 118 N HIS A 8 91.496 2.055 7.459 1.00 0.00 N ATOM 119 CA HIS A 8 92.568 2.612 6.643 1.00 0.00 C ATOM 120 C HIS A 8 92.957 1.647 5.526 1.00 0.00 C ATOM 121 O HIS A 8 92.988 2.030 4.358 1.00 0.00 O ATOM 122 CB HIS A 8 93.781 2.921 7.526 1.00 0.00 C ATOM 123 CG HIS A 8 93.943 1.839 8.557 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.943 0.883 8.483 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.256 1.574 9.717 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.808 0.071 9.545 1.00 0.00 C ATOM 127 NE2 HIS A 8 93.815 0.465 10.347 1.00 0.00 N ATOM 0 H HIS A 8 91.796 1.698 8.366 1.00 0.00 H new ATOM 0 HA HIS A 8 92.214 3.535 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.680 2.992 6.914 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.651 3.887 8.015 1.00 0.00 H new ATOM 0 HD2 HIS A 8 92.412 2.139 10.084 1.00 0.00 H new ATOM 0 HE1 HIS A 8 95.427 -0.795 9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.528 0.044 11.231 1.00 0.00 H new ATOM 135 N SER A 9 93.232 0.395 5.881 1.00 0.00 N ATOM 136 CA SER A 9 93.605 -0.608 4.890 1.00 0.00 C ATOM 137 C SER A 9 93.373 -2.016 5.430 1.00 0.00 C ATOM 138 O SER A 9 93.534 -2.264 6.625 1.00 0.00 O ATOM 139 CB SER A 9 95.075 -0.443 4.501 1.00 0.00 C ATOM 140 OG SER A 9 95.376 0.940 4.403 1.00 0.00 O ATOM 0 H SER A 9 93.204 0.053 6.841 1.00 0.00 H new ATOM 0 HA SER A 9 92.979 -0.464 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.716 -0.916 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.270 -0.939 3.550 1.00 0.00 H new ATOM 0 HG SER A 9 94.617 1.412 4.002 1.00 0.00 H new ATOM 146 N VAL A 10 93.094 -2.955 4.531 1.00 0.00 N ATOM 147 CA VAL A 10 92.899 -4.343 4.932 1.00 0.00 C ATOM 148 C VAL A 10 93.051 -5.271 3.732 1.00 0.00 C ATOM 149 O VAL A 10 92.878 -4.850 2.590 1.00 0.00 O ATOM 150 CB VAL A 10 91.517 -4.510 5.567 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.436 -3.992 4.615 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.256 -5.982 5.899 1.00 0.00 C ATOM 0 H VAL A 10 92.999 -2.782 3.530 1.00 0.00 H new ATOM 0 HA VAL A 10 93.659 -4.609 5.667 1.00 0.00 H new ATOM 0 HB VAL A 10 91.487 -3.932 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.456 -4.115 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.609 -2.936 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.472 -4.555 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.269 -6.084 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.300 -6.574 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.013 -6.337 6.599 1.00 0.00 H new ATOM 162 N SER A 11 93.395 -6.529 3.990 1.00 0.00 N ATOM 163 CA SER A 11 93.572 -7.509 2.924 1.00 0.00 C ATOM 164 C SER A 11 92.941 -8.839 3.322 1.00 0.00 C ATOM 165 O SER A 11 92.866 -9.167 4.506 1.00 0.00 O ATOM 166 CB SER A 11 95.065 -7.711 2.655 1.00 0.00 C ATOM 167 OG SER A 11 95.707 -8.163 3.838 1.00 0.00 O ATOM 0 H SER A 11 93.557 -6.894 4.929 1.00 0.00 H new ATOM 0 HA SER A 11 93.085 -7.141 2.021 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.205 -8.436 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.514 -6.776 2.321 1.00 0.00 H new ATOM 0 HG SER A 11 96.662 -8.293 3.662 1.00 0.00 H new ATOM 173 N GLU A 12 92.523 -9.621 2.330 1.00 0.00 N ATOM 174 CA GLU A 12 91.947 -10.941 2.573 1.00 0.00 C ATOM 175 C GLU A 12 92.401 -11.920 1.497 1.00 0.00 C ATOM 176 O GLU A 12 92.982 -11.534 0.483 1.00 0.00 O ATOM 177 CB GLU A 12 90.416 -10.857 2.570 1.00 0.00 C ATOM 178 CG GLU A 12 89.867 -10.631 3.980 1.00 0.00 C ATOM 179 CD GLU A 12 90.135 -9.197 4.419 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.072 -8.317 3.576 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.396 -9.000 5.594 1.00 0.00 O ATOM 0 H GLU A 12 92.573 -9.361 1.345 1.00 0.00 H new ATOM 0 HA GLU A 12 92.288 -11.293 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.096 -10.044 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.000 -11.777 2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.796 -10.832 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.334 -11.327 4.677 1.00 0.00 H new ATOM 188 N SER A 13 92.256 -13.206 1.801 1.00 0.00 N ATOM 189 CA SER A 13 92.717 -14.252 0.894 1.00 0.00 C ATOM 190 C SER A 13 91.579 -14.674 -0.035 1.00 0.00 C ATOM 191 O SER A 13 90.418 -14.688 0.374 1.00 0.00 O ATOM 192 CB SER A 13 93.247 -15.452 1.688 1.00 0.00 C ATOM 193 OG SER A 13 93.633 -15.021 2.986 1.00 0.00 O ATOM 0 H SER A 13 91.827 -13.547 2.661 1.00 0.00 H new ATOM 0 HA SER A 13 93.534 -13.861 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.479 -16.222 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 13 94.098 -15.897 1.172 1.00 0.00 H new ATOM 0 HG SER A 13 94.364 -15.585 3.314 1.00 0.00 H new ATOM 199 N PRO A 14 91.878 -15.125 -1.223 1.00 0.00 N ATOM 200 CA PRO A 14 90.826 -15.558 -2.186 1.00 0.00 C ATOM 201 C PRO A 14 89.915 -16.616 -1.565 1.00 0.00 C ATOM 202 O PRO A 14 90.336 -17.758 -1.387 1.00 0.00 O ATOM 203 CB PRO A 14 91.601 -16.115 -3.389 1.00 0.00 C ATOM 204 CG PRO A 14 93.061 -15.979 -3.088 1.00 0.00 C ATOM 205 CD PRO A 14 93.212 -15.102 -1.843 1.00 0.00 C ATOM 0 HA PRO A 14 90.168 -14.739 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.341 -17.159 -3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.344 -15.568 -4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.507 -16.959 -2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.584 -15.532 -3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.972 -15.496 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.513 -14.087 -2.104 1.00 0.00 H new ATOM 213 N GLY A 15 88.628 -16.298 -1.436 1.00 0.00 N ATOM 214 CA GLY A 15 87.639 -17.251 -0.938 1.00 0.00 C ATOM 215 C GLY A 15 87.206 -16.923 0.489 1.00 0.00 C ATOM 216 O GLY A 15 86.679 -17.783 1.194 1.00 0.00 O ATOM 0 H GLY A 15 88.245 -15.382 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.768 -17.246 -1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.056 -18.258 -0.969 1.00 0.00 H new ATOM 220 N LYS A 16 87.614 -15.754 0.975 1.00 0.00 N ATOM 221 CA LYS A 16 87.250 -15.312 2.318 1.00 0.00 C ATOM 222 C LYS A 16 86.073 -14.342 2.264 1.00 0.00 C ATOM 223 O LYS A 16 85.591 -13.984 1.189 1.00 0.00 O ATOM 224 CB LYS A 16 88.462 -14.649 2.982 1.00 0.00 C ATOM 225 CG LYS A 16 89.273 -15.696 3.751 1.00 0.00 C ATOM 226 CD LYS A 16 90.555 -15.072 4.303 1.00 0.00 C ATOM 227 CE LYS A 16 91.214 -16.067 5.258 1.00 0.00 C ATOM 228 NZ LYS A 16 92.521 -15.524 5.722 1.00 0.00 N ATOM 0 H LYS A 16 88.197 -15.095 0.459 1.00 0.00 H new ATOM 0 HA LYS A 16 86.946 -16.177 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.088 -14.175 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.131 -13.863 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.676 -16.100 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.520 -16.530 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.235 -14.823 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.328 -14.142 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.562 -16.253 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.363 -17.023 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 93.021 -16.249 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 93.098 -15.257 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 92.358 -14.686 6.317 1.00 0.00 H new ATOM 242 N THR A 17 85.676 -13.855 3.436 1.00 0.00 N ATOM 243 CA THR A 17 84.615 -12.860 3.551 1.00 0.00 C ATOM 244 C THR A 17 85.133 -11.618 4.268 1.00 0.00 C ATOM 245 O THR A 17 85.716 -11.698 5.351 1.00 0.00 O ATOM 246 CB THR A 17 83.431 -13.445 4.329 1.00 0.00 C ATOM 247 OG1 THR A 17 83.914 -14.027 5.531 1.00 0.00 O ATOM 248 CG2 THR A 17 82.711 -14.521 3.507 1.00 0.00 C ATOM 0 H THR A 17 86.079 -14.138 4.329 1.00 0.00 H new ATOM 0 HA THR A 17 84.287 -12.582 2.549 1.00 0.00 H new ATOM 0 HB THR A 17 82.725 -12.644 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 17 84.673 -13.505 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.875 -14.920 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.338 -14.083 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.407 -15.326 3.273 1.00 0.00 H new ATOM 256 N VAL A 18 84.916 -10.470 3.636 1.00 0.00 N ATOM 257 CA VAL A 18 85.374 -9.193 4.177 1.00 0.00 C ATOM 258 C VAL A 18 84.207 -8.222 4.332 1.00 0.00 C ATOM 259 O VAL A 18 83.323 -8.140 3.479 1.00 0.00 O ATOM 260 CB VAL A 18 86.442 -8.577 3.266 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.884 -8.432 1.845 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.891 -7.209 3.808 1.00 0.00 C ATOM 0 H VAL A 18 84.424 -10.396 2.745 1.00 0.00 H new ATOM 0 HA VAL A 18 85.808 -9.379 5.159 1.00 0.00 H new ATOM 0 HB VAL A 18 87.311 -9.235 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.644 -7.994 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.604 -9.413 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.007 -7.785 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.649 -6.787 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.034 -6.536 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.308 -7.333 4.807 1.00 0.00 H new ATOM 272 N THR A 19 84.221 -7.481 5.434 1.00 0.00 N ATOM 273 CA THR A 19 83.179 -6.503 5.733 1.00 0.00 C ATOM 274 C THR A 19 83.816 -5.142 5.990 1.00 0.00 C ATOM 275 O THR A 19 84.752 -5.022 6.781 1.00 0.00 O ATOM 276 CB THR A 19 82.425 -6.960 6.988 1.00 0.00 C ATOM 277 OG1 THR A 19 81.819 -8.217 6.722 1.00 0.00 O ATOM 278 CG2 THR A 19 81.330 -5.977 7.422 1.00 0.00 C ATOM 0 H THR A 19 84.951 -7.540 6.144 1.00 0.00 H new ATOM 0 HA THR A 19 82.491 -6.422 4.892 1.00 0.00 H new ATOM 0 HB THR A 19 83.152 -7.020 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.845 -8.113 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.833 -6.357 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.777 -5.007 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.600 -5.868 6.620 1.00 0.00 H new ATOM 286 N ILE A 20 83.251 -4.111 5.369 1.00 0.00 N ATOM 287 CA ILE A 20 83.730 -2.744 5.531 1.00 0.00 C ATOM 288 C ILE A 20 82.685 -1.902 6.260 1.00 0.00 C ATOM 289 O ILE A 20 81.484 -2.080 6.054 1.00 0.00 O ATOM 290 CB ILE A 20 84.051 -2.136 4.160 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.445 -3.231 3.161 1.00 0.00 C ATOM 292 CG2 ILE A 20 85.204 -1.141 4.305 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.688 -2.656 1.763 1.00 0.00 C ATOM 0 H ILE A 20 82.451 -4.200 4.742 1.00 0.00 H new ATOM 0 HA ILE A 20 84.641 -2.755 6.129 1.00 0.00 H new ATOM 0 HB ILE A 20 83.163 -1.626 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.346 -3.735 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.657 -3.983 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 20 85.435 -0.707 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.916 -0.349 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 20 86.084 -1.657 4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 20 84.965 -3.461 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 20 83.778 -2.174 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.494 -1.923 1.806 1.00 0.00 H new ATOM 305 N SER A 21 83.143 -1.009 7.132 1.00 0.00 N ATOM 306 CA SER A 21 82.253 -0.118 7.871 1.00 0.00 C ATOM 307 C SER A 21 82.531 1.340 7.508 1.00 0.00 C ATOM 308 O SER A 21 83.675 1.791 7.577 1.00 0.00 O ATOM 309 CB SER A 21 82.483 -0.353 9.367 1.00 0.00 C ATOM 310 OG SER A 21 82.716 -1.738 9.592 1.00 0.00 O ATOM 0 H SER A 21 84.132 -0.882 7.346 1.00 0.00 H new ATOM 0 HA SER A 21 81.215 -0.328 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.335 0.232 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.616 -0.020 9.937 1.00 0.00 H new ATOM 0 HG SER A 21 82.866 -1.893 10.548 1.00 0.00 H new ATOM 316 N CYS A 22 81.478 2.100 7.206 1.00 0.00 N ATOM 317 CA CYS A 22 81.597 3.516 6.855 1.00 0.00 C ATOM 318 C CYS A 22 80.802 4.342 7.872 1.00 0.00 C ATOM 319 O CYS A 22 79.713 3.941 8.286 1.00 0.00 O ATOM 320 CB CYS A 22 81.109 3.740 5.409 1.00 0.00 C ATOM 321 SG CYS A 22 82.517 3.657 4.259 1.00 0.00 S ATOM 0 H CYS A 22 80.519 1.752 7.198 1.00 0.00 H new ATOM 0 HA CYS A 22 82.638 3.838 6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.368 2.985 5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.619 4.710 5.328 1.00 0.00 H new ATOM 326 N THR A 23 81.472 5.298 8.518 1.00 0.00 N ATOM 327 CA THR A 23 80.840 6.145 9.528 1.00 0.00 C ATOM 328 C THR A 23 80.954 7.594 9.074 1.00 0.00 C ATOM 329 O THR A 23 82.060 8.059 8.799 1.00 0.00 O ATOM 330 CB THR A 23 81.526 5.997 10.890 1.00 0.00 C ATOM 331 OG1 THR A 23 81.359 4.661 11.340 1.00 0.00 O ATOM 332 CG2 THR A 23 80.917 6.953 11.925 1.00 0.00 C ATOM 0 H THR A 23 82.458 5.505 8.357 1.00 0.00 H new ATOM 0 HA THR A 23 79.798 5.844 9.637 1.00 0.00 H new ATOM 0 HB THR A 23 82.583 6.240 10.778 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.795 4.552 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.424 6.825 12.881 1.00 0.00 H new ATOM 0 HG22 THR A 23 81.037 7.982 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.856 6.732 12.044 1.00 0.00 H new ATOM 340 N ARG A 24 79.903 8.364 9.329 1.00 0.00 N ATOM 341 CA ARG A 24 79.987 9.810 9.181 1.00 0.00 C ATOM 342 C ARG A 24 80.196 10.470 10.541 1.00 0.00 C ATOM 343 O ARG A 24 79.501 10.146 11.505 1.00 0.00 O ATOM 344 CB ARG A 24 78.698 10.314 8.527 1.00 0.00 C ATOM 345 CG ARG A 24 78.909 11.732 7.991 1.00 0.00 C ATOM 346 CD ARG A 24 77.594 12.298 7.448 1.00 0.00 C ATOM 347 NE ARG A 24 77.359 11.810 6.094 1.00 0.00 N ATOM 348 CZ ARG A 24 76.156 11.891 5.534 1.00 0.00 C ATOM 349 NH1 ARG A 24 75.792 12.980 4.914 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.333 10.883 5.618 1.00 0.00 N ATOM 0 H ARG A 24 78.994 8.016 9.635 1.00 0.00 H new ATOM 0 HA ARG A 24 80.838 10.068 8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.407 9.648 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.884 10.307 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.289 12.375 8.785 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.661 11.721 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.768 12.006 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 24 77.630 13.387 7.449 1.00 0.00 H new ATOM 0 HE ARG A 24 78.130 11.400 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.431 13.773 4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 24 74.868 13.038 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.613 10.036 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.409 10.942 5.190 1.00 0.00 H new ATOM 364 N SER A 25 80.972 11.549 10.551 1.00 0.00 N ATOM 365 CA SER A 25 81.192 12.337 11.761 1.00 0.00 C ATOM 366 C SER A 25 79.877 12.907 12.284 1.00 0.00 C ATOM 367 O SER A 25 79.879 13.834 13.095 1.00 0.00 O ATOM 368 CB SER A 25 82.185 13.472 11.493 1.00 0.00 C ATOM 369 OG SER A 25 81.485 14.670 11.188 1.00 0.00 O ATOM 0 H SER A 25 81.463 11.900 9.729 1.00 0.00 H new ATOM 0 HA SER A 25 81.611 11.676 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.820 13.624 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.841 13.204 10.665 1.00 0.00 H new ATOM 0 HG SER A 25 82.119 15.350 10.878 1.00 0.00 H new ATOM 375 N SER A 26 78.792 12.540 11.607 1.00 0.00 N ATOM 376 CA SER A 26 77.469 13.075 11.908 1.00 0.00 C ATOM 377 C SER A 26 76.648 12.029 12.659 1.00 0.00 C ATOM 378 O SER A 26 75.602 12.336 13.233 1.00 0.00 O ATOM 379 CB SER A 26 76.787 13.467 10.593 1.00 0.00 C ATOM 380 OG SER A 26 76.194 14.749 10.735 1.00 0.00 O ATOM 0 H SER A 26 78.805 11.868 10.840 1.00 0.00 H new ATOM 0 HA SER A 26 77.553 13.957 12.543 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.515 13.478 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.028 12.730 10.330 1.00 0.00 H new ATOM 0 HG SER A 26 75.759 15.003 9.895 1.00 0.00 H new ATOM 386 N GLY A 27 77.089 10.778 12.578 1.00 0.00 N ATOM 387 CA GLY A 27 76.374 9.680 13.217 1.00 0.00 C ATOM 388 C GLY A 27 75.068 9.378 12.489 1.00 0.00 C ATOM 389 O GLY A 27 74.131 8.842 13.081 1.00 0.00 O ATOM 0 H GLY A 27 77.934 10.500 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.003 8.790 13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.164 9.934 14.256 1.00 0.00 H new ATOM 393 N SER A 28 74.999 9.744 11.212 1.00 0.00 N ATOM 394 CA SER A 28 73.793 9.546 10.412 1.00 0.00 C ATOM 395 C SER A 28 74.071 8.648 9.209 1.00 0.00 C ATOM 396 O SER A 28 74.799 9.033 8.293 1.00 0.00 O ATOM 397 CB SER A 28 73.281 10.892 9.895 1.00 0.00 C ATOM 398 OG SER A 28 72.391 10.670 8.811 1.00 0.00 O ATOM 0 H SER A 28 75.769 10.182 10.706 1.00 0.00 H new ATOM 0 HA SER A 28 73.048 9.073 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 28 72.772 11.432 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 28 74.117 11.513 9.573 1.00 0.00 H new ATOM 0 HG SER A 28 71.950 11.512 8.572 1.00 0.00 H new ATOM 404 N ILE A 29 73.610 7.401 9.290 1.00 0.00 N ATOM 405 CA ILE A 29 73.865 6.410 8.249 1.00 0.00 C ATOM 406 C ILE A 29 72.606 5.623 7.899 1.00 0.00 C ATOM 407 O ILE A 29 72.028 5.800 6.826 1.00 0.00 O ATOM 408 CB ILE A 29 74.918 5.417 8.752 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.603 4.990 10.201 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.330 6.017 8.632 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.114 3.543 10.327 1.00 0.00 C ATOM 0 H ILE A 29 73.055 7.053 10.071 1.00 0.00 H new ATOM 0 HA ILE A 29 74.207 6.941 7.361 1.00 0.00 H new ATOM 0 HB ILE A 29 74.887 4.524 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.499 5.115 10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.844 5.657 10.610 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.063 5.297 8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.538 6.253 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.390 6.927 9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.913 3.317 11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.200 3.416 9.747 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.880 2.866 9.950 1.00 0.00 H new ATOM 423 N ALA A 30 72.101 4.867 8.868 1.00 0.00 N ATOM 424 CA ALA A 30 70.881 4.104 8.636 1.00 0.00 C ATOM 425 C ALA A 30 69.762 5.112 8.419 1.00 0.00 C ATOM 426 O ALA A 30 68.604 4.768 8.181 1.00 0.00 O ATOM 427 CB ALA A 30 70.548 3.248 9.858 1.00 0.00 C ATOM 0 H ALA A 30 72.505 4.767 9.799 1.00 0.00 H new ATOM 0 HA ALA A 30 71.003 3.445 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.634 2.684 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.368 2.556 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.404 3.892 10.725 1.00 0.00 H new ATOM 433 N SER A 31 70.158 6.370 8.574 1.00 0.00 N ATOM 434 CA SER A 31 69.241 7.498 8.412 1.00 0.00 C ATOM 435 C SER A 31 69.355 8.122 7.024 1.00 0.00 C ATOM 436 O SER A 31 68.420 8.764 6.545 1.00 0.00 O ATOM 437 CB SER A 31 69.503 8.553 9.487 1.00 0.00 C ATOM 438 OG SER A 31 69.608 7.915 10.751 1.00 0.00 O ATOM 0 H SER A 31 71.113 6.638 8.813 1.00 0.00 H new ATOM 0 HA SER A 31 68.226 7.117 8.523 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.421 9.097 9.264 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.694 9.284 9.501 1.00 0.00 H new ATOM 0 HG SER A 31 69.778 8.587 11.444 1.00 0.00 H new ATOM 444 N ASN A 32 70.496 7.919 6.371 1.00 0.00 N ATOM 445 CA ASN A 32 70.765 8.547 5.081 1.00 0.00 C ATOM 446 C ASN A 32 71.155 7.481 4.064 1.00 0.00 C ATOM 447 O ASN A 32 71.640 6.410 4.429 1.00 0.00 O ATOM 448 CB ASN A 32 71.909 9.557 5.202 1.00 0.00 C ATOM 449 CG ASN A 32 71.456 10.787 5.981 1.00 0.00 C ATOM 450 OD1 ASN A 32 70.353 10.804 6.528 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.201 11.859 5.986 1.00 0.00 N ATOM 0 H ASN A 32 71.250 7.324 6.715 1.00 0.00 H new ATOM 0 HA ASN A 32 69.863 9.065 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.759 9.094 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.247 9.853 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 32 71.869 12.709 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.115 11.847 5.533 1.00 0.00 H new ATOM 458 N TYR A 33 70.934 7.782 2.788 1.00 0.00 N ATOM 459 CA TYR A 33 71.244 6.828 1.730 1.00 0.00 C ATOM 460 C TYR A 33 72.754 6.730 1.540 1.00 0.00 C ATOM 461 O TYR A 33 73.432 7.741 1.358 1.00 0.00 O ATOM 462 CB TYR A 33 70.586 7.267 0.420 1.00 0.00 C ATOM 463 CG TYR A 33 69.086 7.221 0.576 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.406 6.012 0.394 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.372 8.391 0.862 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.013 5.965 0.522 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.979 8.344 0.994 1.00 0.00 C ATOM 468 CZ TYR A 33 66.297 7.138 0.791 1.00 0.00 C ATOM 469 OH TYR A 33 64.921 7.104 0.875 1.00 0.00 O ATOM 0 H TYR A 33 70.546 8.668 2.465 1.00 0.00 H new ATOM 0 HA TYR A 33 70.856 5.850 2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.905 8.276 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.899 6.613 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.956 5.114 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.895 9.328 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.491 5.026 0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.431 9.238 1.252 1.00 0.00 H new ATOM 0 HH TYR A 33 64.583 8.003 1.069 1.00 0.00 H new ATOM 479 N VAL A 34 73.281 5.509 1.618 1.00 0.00 N ATOM 480 CA VAL A 34 74.716 5.273 1.487 1.00 0.00 C ATOM 481 C VAL A 34 75.007 4.350 0.309 1.00 0.00 C ATOM 482 O VAL A 34 74.165 3.558 -0.111 1.00 0.00 O ATOM 483 CB VAL A 34 75.277 4.650 2.770 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.749 4.264 2.571 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.126 5.636 3.933 1.00 0.00 C ATOM 0 H VAL A 34 72.731 4.664 1.772 1.00 0.00 H new ATOM 0 HA VAL A 34 75.198 6.235 1.313 1.00 0.00 H new ATOM 0 HB VAL A 34 74.717 3.745 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.137 3.822 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 34 76.829 3.541 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.328 5.154 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.526 5.189 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.673 6.551 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.071 5.870 4.077 1.00 0.00 H new ATOM 495 N GLN A 35 76.157 4.559 -0.320 1.00 0.00 N ATOM 496 CA GLN A 35 76.534 3.770 -1.485 1.00 0.00 C ATOM 497 C GLN A 35 78.025 3.464 -1.452 1.00 0.00 C ATOM 498 O GLN A 35 78.769 4.016 -0.643 1.00 0.00 O ATOM 499 CB GLN A 35 76.207 4.563 -2.751 1.00 0.00 C ATOM 500 CG GLN A 35 76.622 6.030 -2.586 1.00 0.00 C ATOM 501 CD GLN A 35 75.431 6.904 -2.203 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.555 7.793 -1.361 1.00 0.00 O ATOM 503 NE2 GLN A 35 74.287 6.729 -2.805 1.00 0.00 N ATOM 0 H GLN A 35 76.841 5.264 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 35 75.980 2.831 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.724 4.126 -3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.139 4.502 -2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.394 6.108 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 35 77.058 6.394 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 35 74.185 5.992 -3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.494 7.329 -2.578 1.00 0.00 H new ATOM 512 N TRP A 36 78.455 2.580 -2.346 1.00 0.00 N ATOM 513 CA TRP A 36 79.855 2.184 -2.420 1.00 0.00 C ATOM 514 C TRP A 36 80.347 2.259 -3.862 1.00 0.00 C ATOM 515 O TRP A 36 79.565 2.122 -4.803 1.00 0.00 O ATOM 516 CB TRP A 36 80.011 0.759 -1.887 1.00 0.00 C ATOM 517 CG TRP A 36 79.607 0.724 -0.447 1.00 0.00 C ATOM 518 CD1 TRP A 36 78.333 0.710 0.004 1.00 0.00 C ATOM 519 CD2 TRP A 36 80.462 0.671 0.735 1.00 0.00 C ATOM 520 NE1 TRP A 36 78.347 0.649 1.385 1.00 0.00 N ATOM 521 CE2 TRP A 36 79.633 0.578 1.881 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.853 0.632 0.926 1.00 0.00 C ATOM 523 CZ2 TRP A 36 80.171 0.538 3.172 1.00 0.00 C ATOM 524 CZ3 TRP A 36 82.396 0.633 2.218 1.00 0.00 C ATOM 525 CH2 TRP A 36 81.560 0.533 3.338 1.00 0.00 C ATOM 0 H TRP A 36 77.852 2.124 -3.030 1.00 0.00 H new ATOM 0 HA TRP A 36 80.452 2.864 -1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 36 79.394 0.072 -2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 36 81.044 0.429 -1.995 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.448 0.741 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.509 0.656 1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 36 82.510 0.601 0.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.519 0.511 4.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 83.465 0.711 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.987 0.452 4.327 1.00 0.00 H new ATOM 536 N TYR A 37 81.619 2.611 -4.023 1.00 0.00 N ATOM 537 CA TYR A 37 82.233 2.736 -5.341 1.00 0.00 C ATOM 538 C TYR A 37 83.577 2.016 -5.330 1.00 0.00 C ATOM 539 O TYR A 37 84.326 2.097 -4.356 1.00 0.00 O ATOM 540 CB TYR A 37 82.421 4.220 -5.684 1.00 0.00 C ATOM 541 CG TYR A 37 81.301 4.719 -6.566 1.00 0.00 C ATOM 542 CD1 TYR A 37 80.114 5.180 -5.984 1.00 0.00 C ATOM 543 CD2 TYR A 37 81.408 4.617 -7.958 1.00 0.00 C ATOM 544 CE1 TYR A 37 79.075 5.644 -6.800 1.00 0.00 C ATOM 545 CE2 TYR A 37 80.383 5.114 -8.774 1.00 0.00 C ATOM 546 CZ TYR A 37 79.208 5.606 -8.194 1.00 0.00 C ATOM 547 OH TYR A 37 78.200 6.095 -9.001 1.00 0.00 O ATOM 0 H TYR A 37 82.250 2.817 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 37 81.591 2.285 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.455 4.807 -4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.377 4.362 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 37 80.000 5.178 -4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 37 82.278 4.156 -8.402 1.00 0.00 H new ATOM 0 HE1 TYR A 37 78.171 6.031 -6.354 1.00 0.00 H new ATOM 0 HE2 TYR A 37 80.499 5.117 -9.848 1.00 0.00 H new ATOM 0 HH TYR A 37 77.972 5.427 -9.681 1.00 0.00 H new ATOM 557 N GLN A 38 83.953 1.483 -6.488 1.00 0.00 N ATOM 558 CA GLN A 38 85.232 0.799 -6.646 1.00 0.00 C ATOM 559 C GLN A 38 85.952 1.413 -7.841 1.00 0.00 C ATOM 560 O GLN A 38 85.385 1.533 -8.927 1.00 0.00 O ATOM 561 CB GLN A 38 85.054 -0.712 -6.860 1.00 0.00 C ATOM 562 CG GLN A 38 83.644 -1.173 -6.488 1.00 0.00 C ATOM 563 CD GLN A 38 83.488 -1.253 -4.973 1.00 0.00 C ATOM 564 OE1 GLN A 38 83.011 -0.310 -4.342 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.839 -2.342 -4.347 1.00 0.00 N ATOM 0 H GLN A 38 83.386 1.512 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 38 85.815 0.924 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.254 -0.958 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.784 -1.253 -6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.909 -0.481 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.446 -2.149 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 38 84.234 -3.125 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.718 -2.411 -3.337 1.00 0.00 H new ATOM 574 N GLN A 39 87.244 1.674 -7.669 1.00 0.00 N ATOM 575 CA GLN A 39 88.057 2.242 -8.738 1.00 0.00 C ATOM 576 C GLN A 39 89.331 1.426 -8.901 1.00 0.00 C ATOM 577 O GLN A 39 89.929 0.966 -7.928 1.00 0.00 O ATOM 578 CB GLN A 39 88.400 3.702 -8.418 1.00 0.00 C ATOM 579 CG GLN A 39 88.657 4.494 -9.703 1.00 0.00 C ATOM 580 CD GLN A 39 89.969 4.039 -10.330 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.985 3.942 -9.640 1.00 0.00 O ATOM 582 NE2 GLN A 39 90.008 3.756 -11.603 1.00 0.00 N ATOM 0 H GLN A 39 87.750 1.501 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 39 87.494 2.213 -9.671 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.582 4.159 -7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.282 3.741 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.836 4.345 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.698 5.561 -9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 39 89.164 3.838 -12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.883 3.453 -12.031 1.00 0.00 H new ATOM 591 N ARG A 40 89.752 1.290 -10.152 1.00 0.00 N ATOM 592 CA ARG A 40 90.940 0.510 -10.477 1.00 0.00 C ATOM 593 C ARG A 40 91.669 1.174 -11.644 1.00 0.00 C ATOM 594 O ARG A 40 91.028 1.769 -12.510 1.00 0.00 O ATOM 595 CB ARG A 40 90.566 -0.942 -10.817 1.00 0.00 C ATOM 596 CG ARG A 40 89.106 -1.243 -10.463 1.00 0.00 C ATOM 597 CD ARG A 40 88.733 -2.631 -10.984 1.00 0.00 C ATOM 598 NE ARG A 40 87.340 -2.922 -10.673 1.00 0.00 N ATOM 599 CZ ARG A 40 86.733 -3.990 -11.178 1.00 0.00 C ATOM 600 NH1 ARG A 40 86.898 -4.305 -12.434 1.00 0.00 N ATOM 601 NH2 ARG A 40 86.010 -4.754 -10.408 1.00 0.00 N ATOM 0 H ARG A 40 89.289 1.709 -10.958 1.00 0.00 H new ATOM 0 HA ARG A 40 91.601 0.481 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 40 90.728 -1.121 -11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 40 91.221 -1.624 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.965 -1.198 -9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.451 -0.490 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 40 88.891 -2.679 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 40 89.380 -3.384 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 40 86.822 -2.295 -10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 40 87.494 -3.730 -13.030 1.00 0.00 H new ATOM 0 HH12 ARG A 40 86.431 -5.126 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.910 -4.532 -9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.544 -5.574 -10.796 1.00 0.00 H new ATOM 615 N PRO A 41 92.937 0.911 -11.812 1.00 0.00 N ATOM 616 CA PRO A 41 93.712 1.478 -12.949 1.00 0.00 C ATOM 617 C PRO A 41 93.004 1.204 -14.274 1.00 0.00 C ATOM 618 O PRO A 41 92.657 0.062 -14.575 1.00 0.00 O ATOM 619 CB PRO A 41 95.075 0.775 -12.874 1.00 0.00 C ATOM 620 CG PRO A 41 95.028 -0.161 -11.706 1.00 0.00 C ATOM 621 CD PRO A 41 93.820 0.230 -10.852 1.00 0.00 C ATOM 0 HA PRO A 41 93.815 2.562 -12.891 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.278 0.230 -13.796 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.877 1.503 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 41 94.940 -1.193 -12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.947 -0.094 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 41 93.339 -0.643 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 41 94.104 0.887 -10.030 1.00 0.00 H new ATOM 629 N GLY A 42 92.848 2.241 -15.089 1.00 0.00 N ATOM 630 CA GLY A 42 92.228 2.081 -16.399 1.00 0.00 C ATOM 631 C GLY A 42 90.712 1.975 -16.273 1.00 0.00 C ATOM 632 O GLY A 42 89.974 2.436 -17.146 1.00 0.00 O ATOM 0 H GLY A 42 93.139 3.193 -14.869 1.00 0.00 H new ATOM 0 HA2 GLY A 42 92.486 2.929 -17.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 92.620 1.188 -16.885 1.00 0.00 H new ATOM 636 N SER A 43 90.250 1.383 -15.175 1.00 0.00 N ATOM 637 CA SER A 43 88.817 1.261 -14.931 1.00 0.00 C ATOM 638 C SER A 43 88.241 2.594 -14.466 1.00 0.00 C ATOM 639 O SER A 43 88.983 3.541 -14.204 1.00 0.00 O ATOM 640 CB SER A 43 88.550 0.198 -13.863 1.00 0.00 C ATOM 641 OG SER A 43 87.176 0.226 -13.503 1.00 0.00 O ATOM 0 H SER A 43 90.842 0.984 -14.446 1.00 0.00 H new ATOM 0 HA SER A 43 88.337 0.967 -15.864 1.00 0.00 H new ATOM 0 HB2 SER A 43 88.818 -0.789 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 43 89.171 0.383 -12.986 1.00 0.00 H new ATOM 0 HG SER A 43 87.003 -0.455 -12.820 1.00 0.00 H new ATOM 647 N SER A 44 86.914 2.669 -14.372 1.00 0.00 N ATOM 648 CA SER A 44 86.233 3.879 -13.916 1.00 0.00 C ATOM 649 C SER A 44 85.377 3.575 -12.687 1.00 0.00 C ATOM 650 O SER A 44 84.860 2.466 -12.547 1.00 0.00 O ATOM 651 CB SER A 44 85.366 4.447 -15.045 1.00 0.00 C ATOM 652 OG SER A 44 86.155 5.330 -15.826 1.00 0.00 O ATOM 0 H SER A 44 86.286 1.900 -14.607 1.00 0.00 H new ATOM 0 HA SER A 44 86.980 4.622 -13.639 1.00 0.00 H new ATOM 0 HB2 SER A 44 84.977 3.639 -15.665 1.00 0.00 H new ATOM 0 HB3 SER A 44 84.506 4.974 -14.632 1.00 0.00 H new ATOM 0 HG SER A 44 85.611 5.699 -16.553 1.00 0.00 H new ATOM 658 N PRO A 45 85.088 4.562 -11.878 1.00 0.00 N ATOM 659 CA PRO A 45 84.245 4.376 -10.665 1.00 0.00 C ATOM 660 C PRO A 45 82.927 3.700 -11.034 1.00 0.00 C ATOM 661 O PRO A 45 82.130 4.264 -11.784 1.00 0.00 O ATOM 662 CB PRO A 45 84.024 5.792 -10.114 1.00 0.00 C ATOM 663 CG PRO A 45 84.820 6.741 -10.956 1.00 0.00 C ATOM 664 CD PRO A 45 85.642 5.922 -11.956 1.00 0.00 C ATOM 0 HA PRO A 45 84.715 3.732 -9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 45 82.966 6.052 -10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.339 5.850 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.158 7.429 -11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.476 7.346 -10.330 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.555 6.327 -12.964 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.701 5.932 -11.699 1.00 0.00 H new ATOM 672 N THR A 46 82.629 2.572 -10.392 1.00 0.00 N ATOM 673 CA THR A 46 81.369 1.875 -10.628 1.00 0.00 C ATOM 674 C THR A 46 80.622 1.656 -9.318 1.00 0.00 C ATOM 675 O THR A 46 81.156 1.075 -8.372 1.00 0.00 O ATOM 676 CB THR A 46 81.642 0.524 -11.295 1.00 0.00 C ATOM 677 OG1 THR A 46 82.176 0.760 -12.589 1.00 0.00 O ATOM 678 CG2 THR A 46 80.356 -0.301 -11.426 1.00 0.00 C ATOM 0 H THR A 46 83.240 2.124 -9.709 1.00 0.00 H new ATOM 0 HA THR A 46 80.752 2.489 -11.284 1.00 0.00 H new ATOM 0 HB THR A 46 82.345 -0.036 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.022 1.248 -12.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.582 -1.254 -11.903 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.937 -0.481 -10.436 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.633 0.245 -12.032 1.00 0.00 H new ATOM 686 N THR A 47 79.376 2.113 -9.278 1.00 0.00 N ATOM 687 CA THR A 47 78.557 1.917 -8.089 1.00 0.00 C ATOM 688 C THR A 47 78.295 0.428 -7.895 1.00 0.00 C ATOM 689 O THR A 47 77.579 -0.185 -8.688 1.00 0.00 O ATOM 690 CB THR A 47 77.232 2.673 -8.234 1.00 0.00 C ATOM 691 OG1 THR A 47 77.453 3.841 -9.012 1.00 0.00 O ATOM 692 CG2 THR A 47 76.692 3.069 -6.857 1.00 0.00 C ATOM 0 H THR A 47 78.918 2.613 -10.040 1.00 0.00 H new ATOM 0 HA THR A 47 79.085 2.305 -7.218 1.00 0.00 H new ATOM 0 HB THR A 47 76.501 2.029 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 47 77.732 4.576 -8.427 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.751 3.605 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.526 2.172 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.415 3.712 -6.354 1.00 0.00 H new ATOM 700 N VAL A 48 78.727 -0.108 -6.757 1.00 0.00 N ATOM 701 CA VAL A 48 78.527 -1.533 -6.513 1.00 0.00 C ATOM 702 C VAL A 48 77.277 -1.747 -5.663 1.00 0.00 C ATOM 703 O VAL A 48 76.606 -2.768 -5.807 1.00 0.00 O ATOM 704 CB VAL A 48 79.768 -2.106 -5.809 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.412 -3.231 -4.831 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.760 -2.666 -6.833 1.00 0.00 C ATOM 0 H VAL A 48 79.202 0.402 -6.012 1.00 0.00 H new ATOM 0 HA VAL A 48 78.387 -2.052 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 48 80.213 -1.280 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.321 -3.604 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.736 -2.848 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.925 -4.043 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.631 -3.067 -6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.282 -3.460 -7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.074 -1.870 -7.508 1.00 0.00 H new ATOM 716 N ILE A 49 76.888 -0.747 -4.878 1.00 0.00 N ATOM 717 CA ILE A 49 75.660 -0.813 -4.100 1.00 0.00 C ATOM 718 C ILE A 49 75.042 0.578 -4.061 1.00 0.00 C ATOM 719 O ILE A 49 75.679 1.547 -3.645 1.00 0.00 O ATOM 720 CB ILE A 49 75.958 -1.338 -2.691 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.918 -2.869 -2.697 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.931 -0.818 -1.681 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.510 -3.392 -1.391 1.00 0.00 C ATOM 0 H ILE A 49 77.410 0.122 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 49 74.952 -1.503 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 49 76.947 -0.985 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.891 -3.217 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.481 -3.256 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.167 -1.206 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.960 0.271 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.934 -1.149 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.484 -4.482 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.542 -3.054 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.927 -3.015 -0.551 1.00 0.00 H new ATOM 735 N TYR A 50 73.734 0.603 -4.277 1.00 0.00 N ATOM 736 CA TYR A 50 72.961 1.834 -4.185 1.00 0.00 C ATOM 737 C TYR A 50 71.799 1.642 -3.216 1.00 0.00 C ATOM 738 O TYR A 50 71.535 0.533 -2.753 1.00 0.00 O ATOM 739 CB TYR A 50 72.435 2.194 -5.575 1.00 0.00 C ATOM 740 CG TYR A 50 71.573 3.430 -5.476 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.157 4.647 -5.109 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.202 3.366 -5.751 1.00 0.00 C ATOM 743 CE1 TYR A 50 71.368 5.800 -5.012 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.414 4.521 -5.664 1.00 0.00 C ATOM 745 CZ TYR A 50 70.002 5.740 -5.307 1.00 0.00 C ATOM 746 OH TYR A 50 69.222 6.873 -5.192 1.00 0.00 O ATOM 0 H TYR A 50 73.183 -0.221 -4.519 1.00 0.00 H new ATOM 0 HA TYR A 50 73.593 2.642 -3.815 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.267 2.370 -6.257 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.857 1.365 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.216 4.697 -4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.751 2.425 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 50 71.814 6.736 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.355 4.471 -5.872 1.00 0.00 H new ATOM 0 HH TYR A 50 68.297 6.659 -5.435 1.00 0.00 H new ATOM 756 N GLU A 51 71.223 2.763 -2.801 1.00 0.00 N ATOM 757 CA GLU A 51 70.240 2.791 -1.724 1.00 0.00 C ATOM 758 C GLU A 51 70.697 1.955 -0.533 1.00 0.00 C ATOM 759 O GLU A 51 69.889 1.389 0.203 1.00 0.00 O ATOM 760 CB GLU A 51 68.989 2.116 -2.301 1.00 0.00 C ATOM 761 CG GLU A 51 67.812 2.182 -1.318 1.00 0.00 C ATOM 762 CD GLU A 51 66.572 2.805 -1.955 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.391 2.653 -3.153 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.814 3.424 -1.227 1.00 0.00 O ATOM 0 H GLU A 51 71.424 3.679 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 51 70.079 3.814 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.711 2.601 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.211 1.075 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.574 1.177 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.102 2.764 -0.443 1.00 0.00 H new ATOM 771 N ASP A 52 72.011 1.765 -0.475 1.00 0.00 N ATOM 772 CA ASP A 52 72.671 0.964 0.551 1.00 0.00 C ATOM 773 C ASP A 52 71.876 -0.319 0.764 1.00 0.00 C ATOM 774 O ASP A 52 72.151 -1.070 1.701 1.00 0.00 O ATOM 775 CB ASP A 52 72.695 1.720 1.879 1.00 0.00 C ATOM 776 CG ASP A 52 73.537 0.958 2.898 1.00 0.00 C ATOM 777 OD1 ASP A 52 74.638 0.565 2.550 1.00 0.00 O ATOM 778 OD2 ASP A 52 73.061 0.759 4.003 1.00 0.00 O ATOM 0 H ASP A 52 72.659 2.170 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 52 73.689 0.750 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.105 2.719 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.679 1.844 2.254 1.00 0.00 H new ATOM 783 N ASN A 53 71.019 -0.658 -0.194 1.00 0.00 N ATOM 784 CA ASN A 53 70.345 -1.947 -0.222 1.00 0.00 C ATOM 785 C ASN A 53 70.511 -2.610 -1.582 1.00 0.00 C ATOM 786 O ASN A 53 70.539 -3.836 -1.695 1.00 0.00 O ATOM 787 CB ASN A 53 68.882 -1.696 0.160 1.00 0.00 C ATOM 788 CG ASN A 53 67.933 -2.705 -0.476 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.488 -3.645 0.181 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.502 -2.489 -1.689 1.00 0.00 N ATOM 0 H ASN A 53 70.774 -0.045 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 53 70.781 -2.647 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.780 -1.739 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.597 -0.690 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.794 -3.101 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.873 -1.709 -2.231 1.00 0.00 H new ATOM 797 N GLN A 54 70.272 -1.788 -2.600 1.00 0.00 N ATOM 798 CA GLN A 54 70.066 -2.297 -3.950 1.00 0.00 C ATOM 799 C GLN A 54 71.396 -2.217 -4.686 1.00 0.00 C ATOM 800 O GLN A 54 72.248 -1.411 -4.314 1.00 0.00 O ATOM 801 CB GLN A 54 68.965 -1.528 -4.687 1.00 0.00 C ATOM 802 CG GLN A 54 69.492 -0.245 -5.338 1.00 0.00 C ATOM 803 CD GLN A 54 69.994 -0.503 -6.757 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.214 -0.488 -7.708 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.259 -0.741 -6.967 1.00 0.00 N ATOM 0 H GLN A 54 70.217 -0.773 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 54 69.727 -3.332 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 54 68.527 -2.168 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 54 68.168 -1.277 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.700 0.504 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.301 0.165 -4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.912 -0.755 -6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.595 -0.913 -7.915 1.00 0.00 H new ATOM 814 N ARG A 55 71.601 -3.056 -5.694 1.00 0.00 N ATOM 815 CA ARG A 55 72.849 -2.999 -6.444 1.00 0.00 C ATOM 816 C ARG A 55 72.592 -3.288 -7.920 1.00 0.00 C ATOM 817 O ARG A 55 71.719 -4.094 -8.245 1.00 0.00 O ATOM 818 CB ARG A 55 73.852 -4.001 -5.868 1.00 0.00 C ATOM 819 CG ARG A 55 73.267 -5.417 -5.810 1.00 0.00 C ATOM 820 CD ARG A 55 72.556 -5.678 -4.477 1.00 0.00 C ATOM 821 NE ARG A 55 71.554 -6.726 -4.640 1.00 0.00 N ATOM 822 CZ ARG A 55 70.256 -6.451 -4.737 1.00 0.00 C ATOM 823 NH1 ARG A 55 69.856 -5.408 -5.409 1.00 0.00 N ATOM 824 NH2 ARG A 55 69.389 -7.176 -4.086 1.00 0.00 N ATOM 0 H ARG A 55 70.938 -3.766 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 55 73.268 -1.997 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 55 74.755 -4.005 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 55 74.146 -3.687 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.564 -5.555 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.065 -6.147 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.283 -5.973 -3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.082 -4.762 -4.123 1.00 0.00 H new ATOM 0 HE ARG A 55 71.858 -7.699 -4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 55 70.539 -4.801 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 55 68.860 -5.199 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 55 69.707 -7.951 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 55 68.393 -6.968 -4.158 1.00 0.00 H new ATOM 838 N PRO A 56 73.326 -2.690 -8.822 1.00 0.00 N ATOM 839 CA PRO A 56 73.147 -2.965 -10.274 1.00 0.00 C ATOM 840 C PRO A 56 73.328 -4.451 -10.574 1.00 0.00 C ATOM 841 O PRO A 56 74.227 -5.097 -10.034 1.00 0.00 O ATOM 842 CB PRO A 56 74.207 -2.114 -10.987 1.00 0.00 C ATOM 843 CG PRO A 56 74.982 -1.375 -9.941 1.00 0.00 C ATOM 844 CD PRO A 56 74.392 -1.707 -8.566 1.00 0.00 C ATOM 0 HA PRO A 56 72.143 -2.712 -10.614 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.870 -2.746 -11.578 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.734 -1.415 -11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 56 76.034 -1.658 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.934 -0.301 -10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.152 -2.117 -7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.995 -0.814 -8.083 1.00 0.00 H new ATOM 852 N SER A 57 72.565 -4.949 -11.541 1.00 0.00 N ATOM 853 CA SER A 57 72.685 -6.343 -11.950 1.00 0.00 C ATOM 854 C SER A 57 74.083 -6.611 -12.497 1.00 0.00 C ATOM 855 O SER A 57 74.545 -7.752 -12.531 1.00 0.00 O ATOM 856 CB SER A 57 71.634 -6.654 -13.017 1.00 0.00 C ATOM 857 OG SER A 57 70.357 -6.726 -12.401 1.00 0.00 O ATOM 0 H SER A 57 71.863 -4.414 -12.052 1.00 0.00 H new ATOM 0 HA SER A 57 72.521 -6.986 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.638 -5.881 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.867 -7.597 -13.511 1.00 0.00 H new ATOM 0 HG SER A 57 69.677 -6.923 -13.079 1.00 0.00 H new ATOM 863 N GLY A 58 74.745 -5.545 -12.931 1.00 0.00 N ATOM 864 CA GLY A 58 76.078 -5.684 -13.503 1.00 0.00 C ATOM 865 C GLY A 58 77.024 -6.297 -12.478 1.00 0.00 C ATOM 866 O GLY A 58 77.895 -7.096 -12.823 1.00 0.00 O ATOM 0 H GLY A 58 74.388 -4.590 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.037 -6.312 -14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.451 -4.709 -13.817 1.00 0.00 H new ATOM 870 N VAL A 59 76.943 -5.810 -11.242 1.00 0.00 N ATOM 871 CA VAL A 59 77.815 -6.305 -10.181 1.00 0.00 C ATOM 872 C VAL A 59 77.129 -7.435 -9.412 1.00 0.00 C ATOM 873 O VAL A 59 75.946 -7.321 -9.096 1.00 0.00 O ATOM 874 CB VAL A 59 78.194 -5.150 -9.248 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.379 -3.881 -10.084 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.102 -4.918 -8.201 1.00 0.00 C ATOM 0 H VAL A 59 76.290 -5.081 -10.953 1.00 0.00 H new ATOM 0 HA VAL A 59 78.727 -6.709 -10.621 1.00 0.00 H new ATOM 0 HB VAL A 59 79.119 -5.400 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.649 -3.051 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.171 -4.040 -10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.449 -3.647 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.392 -4.094 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.165 -4.673 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.970 -5.822 -7.606 1.00 0.00 H new ATOM 886 N PRO A 60 77.831 -8.459 -8.998 1.00 0.00 N ATOM 887 CA PRO A 60 77.200 -9.585 -8.253 1.00 0.00 C ATOM 888 C PRO A 60 76.574 -9.114 -6.941 1.00 0.00 C ATOM 889 O PRO A 60 77.088 -8.207 -6.289 1.00 0.00 O ATOM 890 CB PRO A 60 78.334 -10.590 -8.005 1.00 0.00 C ATOM 891 CG PRO A 60 79.592 -10.010 -8.570 1.00 0.00 C ATOM 892 CD PRO A 60 79.224 -8.758 -9.371 1.00 0.00 C ATOM 0 HA PRO A 60 76.382 -10.030 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 60 78.448 -10.782 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 60 78.108 -11.545 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.288 -9.758 -7.769 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.092 -10.737 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.885 -7.926 -9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.316 -8.935 -10.443 1.00 0.00 H new ATOM 900 N ASP A 61 75.437 -9.699 -6.581 1.00 0.00 N ATOM 901 CA ASP A 61 74.793 -9.380 -5.311 1.00 0.00 C ATOM 902 C ASP A 61 75.672 -9.754 -4.121 1.00 0.00 C ATOM 903 O ASP A 61 75.316 -9.482 -2.975 1.00 0.00 O ATOM 904 CB ASP A 61 73.444 -10.094 -5.213 1.00 0.00 C ATOM 905 CG ASP A 61 73.594 -11.548 -5.641 1.00 0.00 C ATOM 906 OD1 ASP A 61 74.706 -11.936 -5.958 1.00 0.00 O ATOM 907 OD2 ASP A 61 72.593 -12.245 -5.666 1.00 0.00 O ATOM 0 H ASP A 61 74.945 -10.392 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 61 74.636 -8.302 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.070 -10.044 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.711 -9.593 -5.846 1.00 0.00 H new ATOM 912 N ARG A 62 76.829 -10.349 -4.390 1.00 0.00 N ATOM 913 CA ARG A 62 77.707 -10.788 -3.311 1.00 0.00 C ATOM 914 C ARG A 62 77.867 -9.687 -2.269 1.00 0.00 C ATOM 915 O ARG A 62 77.942 -9.947 -1.069 1.00 0.00 O ATOM 916 CB ARG A 62 79.078 -11.176 -3.875 1.00 0.00 C ATOM 917 CG ARG A 62 79.895 -9.947 -4.286 1.00 0.00 C ATOM 918 CD ARG A 62 81.229 -10.397 -4.882 1.00 0.00 C ATOM 919 NE ARG A 62 81.939 -9.245 -5.424 1.00 0.00 N ATOM 920 CZ ARG A 62 83.045 -8.771 -4.858 1.00 0.00 C ATOM 921 NH1 ARG A 62 82.984 -8.156 -3.708 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.196 -8.902 -5.459 1.00 0.00 N ATOM 0 H ARG A 62 77.177 -10.536 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 62 77.258 -11.658 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 62 79.630 -11.746 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 62 78.944 -11.828 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.340 -9.355 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.069 -9.307 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.835 -10.883 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.057 -11.133 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 62 81.577 -8.789 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.085 -8.038 -3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 62 83.835 -7.794 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.248 -9.369 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.043 -8.538 -5.023 1.00 0.00 H new ATOM 936 N PHE A 63 77.986 -8.457 -2.755 1.00 0.00 N ATOM 937 CA PHE A 63 78.174 -7.320 -1.867 1.00 0.00 C ATOM 938 C PHE A 63 76.954 -7.172 -0.969 1.00 0.00 C ATOM 939 O PHE A 63 75.829 -7.332 -1.442 1.00 0.00 O ATOM 940 CB PHE A 63 78.335 -6.042 -2.691 1.00 0.00 C ATOM 941 CG PHE A 63 79.586 -6.131 -3.526 1.00 0.00 C ATOM 942 CD1 PHE A 63 80.806 -5.701 -2.993 1.00 0.00 C ATOM 943 CD2 PHE A 63 79.507 -6.577 -4.849 1.00 0.00 C ATOM 944 CE1 PHE A 63 81.948 -5.689 -3.801 1.00 0.00 C ATOM 945 CE2 PHE A 63 80.663 -6.628 -5.634 1.00 0.00 C ATOM 946 CZ PHE A 63 81.876 -6.154 -5.119 1.00 0.00 C ATOM 0 H PHE A 63 77.956 -8.224 -3.748 1.00 0.00 H new ATOM 0 HA PHE A 63 79.066 -7.484 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.466 -5.900 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.388 -5.176 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.866 -5.380 -1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 63 78.557 -6.881 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 63 82.884 -5.321 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 63 80.621 -7.032 -6.635 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.759 -6.147 -5.741 1.00 0.00 H new ATOM 956 N SER A 64 77.183 -7.070 0.337 1.00 0.00 N ATOM 957 CA SER A 64 76.075 -7.055 1.287 1.00 0.00 C ATOM 958 C SER A 64 75.975 -5.708 1.982 1.00 0.00 C ATOM 959 O SER A 64 76.756 -5.388 2.869 1.00 0.00 O ATOM 960 CB SER A 64 76.239 -8.161 2.331 1.00 0.00 C ATOM 961 OG SER A 64 74.997 -8.410 2.975 1.00 0.00 O ATOM 0 H SER A 64 78.110 -6.998 0.757 1.00 0.00 H new ATOM 0 HA SER A 64 75.157 -7.231 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.600 -9.072 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.988 -7.869 3.067 1.00 0.00 H new ATOM 0 HG SER A 64 75.110 -9.120 3.641 1.00 0.00 H new ATOM 967 N GLY A 65 74.829 -5.078 1.784 1.00 0.00 N ATOM 968 CA GLY A 65 74.557 -3.754 2.326 1.00 0.00 C ATOM 969 C GLY A 65 73.547 -3.850 3.463 1.00 0.00 C ATOM 970 O GLY A 65 72.415 -4.287 3.251 1.00 0.00 O ATOM 0 H GLY A 65 74.059 -5.470 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.481 -3.304 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.172 -3.103 1.541 1.00 0.00 H new ATOM 974 N SER A 66 73.986 -3.564 4.686 1.00 0.00 N ATOM 975 CA SER A 66 73.107 -3.664 5.844 1.00 0.00 C ATOM 976 C SER A 66 73.516 -2.650 6.904 1.00 0.00 C ATOM 977 O SER A 66 74.586 -2.049 6.839 1.00 0.00 O ATOM 978 CB SER A 66 73.181 -5.070 6.444 1.00 0.00 C ATOM 979 OG SER A 66 74.277 -5.136 7.345 1.00 0.00 O ATOM 0 H SER A 66 74.937 -3.264 4.898 1.00 0.00 H new ATOM 0 HA SER A 66 72.087 -3.460 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.253 -5.306 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.300 -5.810 5.653 1.00 0.00 H new ATOM 0 HG SER A 66 74.328 -6.034 7.733 1.00 0.00 H new ATOM 985 N ILE A 67 72.646 -2.463 7.888 1.00 0.00 N ATOM 986 CA ILE A 67 72.899 -1.502 8.952 1.00 0.00 C ATOM 987 C ILE A 67 72.369 -2.039 10.275 1.00 0.00 C ATOM 988 O ILE A 67 71.765 -3.110 10.319 1.00 0.00 O ATOM 989 CB ILE A 67 72.212 -0.172 8.640 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.714 -0.398 8.411 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.831 0.454 7.386 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.953 -0.679 9.711 1.00 0.00 C ATOM 0 H ILE A 67 71.761 -2.963 7.971 1.00 0.00 H new ATOM 0 HA ILE A 67 73.975 -1.344 9.025 1.00 0.00 H new ATOM 0 HB ILE A 67 72.350 0.502 9.486 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.288 0.481 7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.577 -1.235 7.727 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.336 1.401 7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.894 0.629 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.704 -0.223 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.897 -0.831 9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 67 70.357 -1.575 10.183 1.00 0.00 H new ATOM 0 HD13 ILE A 67 70.063 0.169 10.387 1.00 0.00 H new ATOM 1004 N ASP A 68 72.841 -1.433 11.358 1.00 0.00 N ATOM 1005 CA ASP A 68 72.368 -1.762 12.701 1.00 0.00 C ATOM 1006 C ASP A 68 71.320 -0.775 13.210 1.00 0.00 C ATOM 1007 O ASP A 68 71.358 0.416 12.901 1.00 0.00 O ATOM 1008 CB ASP A 68 73.562 -1.821 13.654 1.00 0.00 C ATOM 1009 CG ASP A 68 74.434 -3.016 13.283 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.875 -4.053 12.963 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.641 -2.849 13.228 1.00 0.00 O ATOM 0 H ASP A 68 73.556 -0.706 11.333 1.00 0.00 H new ATOM 0 HA ASP A 68 71.879 -2.735 12.657 1.00 0.00 H new ATOM 0 HB2 ASP A 68 74.140 -0.899 13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 68 73.218 -1.912 14.684 1.00 0.00 H new ATOM 1016 N SER A 69 70.457 -1.259 14.099 1.00 0.00 N ATOM 1017 CA SER A 69 69.465 -0.404 14.742 1.00 0.00 C ATOM 1018 C SER A 69 70.115 0.598 15.692 1.00 0.00 C ATOM 1019 O SER A 69 69.503 1.010 16.678 1.00 0.00 O ATOM 1020 CB SER A 69 68.471 -1.268 15.524 1.00 0.00 C ATOM 1021 OG SER A 69 69.179 -2.118 16.414 1.00 0.00 O ATOM 0 H SER A 69 70.425 -2.236 14.390 1.00 0.00 H new ATOM 0 HA SER A 69 68.949 0.153 13.960 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.782 -0.634 16.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.871 -1.863 14.836 1.00 0.00 H new ATOM 0 HG SER A 69 68.543 -2.669 16.915 1.00 0.00 H new ATOM 1027 N SER A 70 71.336 1.021 15.377 1.00 0.00 N ATOM 1028 CA SER A 70 72.034 2.016 16.188 1.00 0.00 C ATOM 1029 C SER A 70 72.014 3.378 15.500 1.00 0.00 C ATOM 1030 O SER A 70 71.742 4.396 16.135 1.00 0.00 O ATOM 1031 CB SER A 70 73.486 1.584 16.407 1.00 0.00 C ATOM 1032 OG SER A 70 73.524 0.511 17.336 1.00 0.00 O ATOM 0 H SER A 70 71.862 0.692 14.568 1.00 0.00 H new ATOM 0 HA SER A 70 71.524 2.095 17.148 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.932 1.277 15.461 1.00 0.00 H new ATOM 0 HB3 SER A 70 74.074 2.423 16.779 1.00 0.00 H new ATOM 0 HG SER A 70 74.453 0.232 17.476 1.00 0.00 H new ATOM 1038 N SER A 71 72.320 3.396 14.206 1.00 0.00 N ATOM 1039 CA SER A 71 72.360 4.642 13.446 1.00 0.00 C ATOM 1040 C SER A 71 73.725 5.312 13.590 1.00 0.00 C ATOM 1041 O SER A 71 73.823 6.539 13.571 1.00 0.00 O ATOM 1042 CB SER A 71 71.236 5.589 13.879 1.00 0.00 C ATOM 1043 OG SER A 71 70.143 4.819 14.359 1.00 0.00 O ATOM 0 H SER A 71 72.544 2.563 13.662 1.00 0.00 H new ATOM 0 HA SER A 71 72.204 4.404 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.591 6.264 14.657 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.921 6.208 13.039 1.00 0.00 H new ATOM 0 HG SER A 71 70.138 4.834 15.339 1.00 0.00 H new ATOM 1049 N ASN A 72 74.750 4.512 13.879 1.00 0.00 N ATOM 1050 CA ASN A 72 76.088 5.042 14.135 1.00 0.00 C ATOM 1051 C ASN A 72 76.977 4.905 12.903 1.00 0.00 C ATOM 1052 O ASN A 72 77.881 5.715 12.703 1.00 0.00 O ATOM 1053 CB ASN A 72 76.747 4.307 15.305 1.00 0.00 C ATOM 1054 CG ASN A 72 77.911 5.124 15.859 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.987 5.167 15.260 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.755 5.791 16.971 1.00 0.00 N ATOM 0 H ASN A 72 74.680 3.496 13.942 1.00 0.00 H new ATOM 0 HA ASN A 72 75.977 6.098 14.382 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.013 4.129 16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.104 3.331 14.975 1.00 0.00 H new ATOM 0 HD21 ASN A 72 78.524 6.348 17.344 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.864 5.755 17.467 1.00 0.00 H new ATOM 1063 N SER A 73 76.825 3.801 12.175 1.00 0.00 N ATOM 1064 CA SER A 73 77.632 3.587 10.978 1.00 0.00 C ATOM 1065 C SER A 73 76.974 2.554 10.066 1.00 0.00 C ATOM 1066 O SER A 73 76.313 1.638 10.556 1.00 0.00 O ATOM 1067 CB SER A 73 79.028 3.113 11.389 1.00 0.00 C ATOM 1068 OG SER A 73 78.955 1.757 11.804 1.00 0.00 O ATOM 0 H SER A 73 76.164 3.054 12.388 1.00 0.00 H new ATOM 0 HA SER A 73 77.712 4.525 10.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.720 3.214 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.413 3.734 12.198 1.00 0.00 H new ATOM 0 HG SER A 73 79.847 1.447 12.067 1.00 0.00 H new ATOM 1074 N ALA A 74 77.450 2.462 8.826 1.00 0.00 N ATOM 1075 CA ALA A 74 76.868 1.535 7.858 1.00 0.00 C ATOM 1076 C ALA A 74 77.855 0.402 7.579 1.00 0.00 C ATOM 1077 O ALA A 74 79.044 0.646 7.374 1.00 0.00 O ATOM 1078 CB ALA A 74 76.546 2.291 6.561 1.00 0.00 C ATOM 0 H ALA A 74 78.231 3.013 8.470 1.00 0.00 H new ATOM 0 HA ALA A 74 75.948 1.110 8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.112 1.602 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.836 3.090 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.462 2.718 6.152 1.00 0.00 H new ATOM 1084 N SER A 75 77.377 -0.832 7.729 1.00 0.00 N ATOM 1085 CA SER A 75 78.234 -2.018 7.648 1.00 0.00 C ATOM 1086 C SER A 75 77.783 -2.988 6.559 1.00 0.00 C ATOM 1087 O SER A 75 76.584 -3.044 6.287 1.00 0.00 O ATOM 1088 CB SER A 75 78.218 -2.767 8.985 1.00 0.00 C ATOM 1089 OG SER A 75 77.414 -2.058 9.914 1.00 0.00 O ATOM 0 H SER A 75 76.395 -1.039 7.909 1.00 0.00 H new ATOM 0 HA SER A 75 79.236 -1.664 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 75 77.828 -3.775 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.233 -2.869 9.369 1.00 0.00 H new ATOM 0 HG SER A 75 77.402 -2.537 10.769 1.00 0.00 H new ATOM 1095 N LEU A 76 78.659 -3.151 5.578 1.00 0.00 N ATOM 1096 CA LEU A 76 78.562 -4.195 4.563 1.00 0.00 C ATOM 1097 C LEU A 76 79.414 -5.451 4.763 1.00 0.00 C ATOM 1098 O LEU A 76 80.625 -5.325 4.932 1.00 0.00 O ATOM 1099 CB LEU A 76 78.726 -3.508 3.211 1.00 0.00 C ATOM 1100 CG LEU A 76 79.165 -4.501 2.127 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.560 -4.098 0.783 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.691 -4.511 1.996 1.00 0.00 C ATOM 0 H LEU A 76 79.475 -2.550 5.461 1.00 0.00 H new ATOM 0 HA LEU A 76 77.579 -4.660 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.784 -3.044 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.463 -2.709 3.294 1.00 0.00 H new ATOM 0 HG LEU A 76 78.820 -5.495 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 76 78.874 -4.806 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.473 -4.103 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 76 78.901 -3.098 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 76 80.985 -5.221 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.039 -3.514 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.136 -4.805 2.947 1.00 0.00 H new ATOM 1114 N THR A 77 78.862 -6.626 4.455 1.00 0.00 N ATOM 1115 CA THR A 77 79.646 -7.851 4.267 1.00 0.00 C ATOM 1116 C THR A 77 79.783 -8.287 2.803 1.00 0.00 C ATOM 1117 O THR A 77 78.823 -8.755 2.195 1.00 0.00 O ATOM 1118 CB THR A 77 78.952 -8.959 5.062 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.992 -8.632 6.444 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.638 -10.309 4.843 1.00 0.00 C ATOM 0 H THR A 77 77.858 -6.757 4.329 1.00 0.00 H new ATOM 0 HA THR A 77 80.661 -7.656 4.613 1.00 0.00 H new ATOM 0 HB THR A 77 77.921 -9.039 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.548 -9.337 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 77 79.123 -11.077 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.604 -10.567 3.785 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.677 -10.246 5.168 1.00 0.00 H new ATOM 1128 N ILE A 78 81.017 -8.489 2.347 1.00 0.00 N ATOM 1129 CA ILE A 78 81.284 -9.096 1.041 1.00 0.00 C ATOM 1130 C ILE A 78 81.578 -10.588 1.183 1.00 0.00 C ATOM 1131 O ILE A 78 82.707 -10.969 1.494 1.00 0.00 O ATOM 1132 CB ILE A 78 82.486 -8.404 0.381 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.090 -7.032 -0.186 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.097 -9.262 -0.737 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.066 -5.954 0.293 1.00 0.00 C ATOM 0 H ILE A 78 81.858 -8.239 2.868 1.00 0.00 H new ATOM 0 HA ILE A 78 80.397 -8.971 0.420 1.00 0.00 H new ATOM 0 HB ILE A 78 83.236 -8.268 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.086 -7.069 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.077 -6.780 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 78 83.944 -8.736 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.435 -10.212 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.346 -9.448 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.771 -4.988 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.049 -5.906 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.073 -6.199 -0.044 1.00 0.00 H new ATOM 1147 N SER A 79 80.674 -11.418 0.669 1.00 0.00 N ATOM 1148 CA SER A 79 80.878 -12.864 0.660 1.00 0.00 C ATOM 1149 C SER A 79 81.451 -13.339 -0.673 1.00 0.00 C ATOM 1150 O SER A 79 80.995 -12.934 -1.741 1.00 0.00 O ATOM 1151 CB SER A 79 79.545 -13.561 0.948 1.00 0.00 C ATOM 1152 OG SER A 79 79.009 -14.111 -0.247 1.00 0.00 O ATOM 0 H SER A 79 79.793 -11.114 0.253 1.00 0.00 H new ATOM 0 HA SER A 79 81.602 -13.119 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.691 -14.350 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.840 -12.849 1.377 1.00 0.00 H new ATOM 0 HG SER A 79 78.158 -14.555 -0.050 1.00 0.00 H new ATOM 1158 N GLY A 80 82.418 -14.249 -0.609 1.00 0.00 N ATOM 1159 CA GLY A 80 83.023 -14.798 -1.819 1.00 0.00 C ATOM 1160 C GLY A 80 83.987 -13.800 -2.451 1.00 0.00 C ATOM 1161 O GLY A 80 83.757 -13.313 -3.558 1.00 0.00 O ATOM 0 H GLY A 80 82.798 -14.620 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.554 -15.719 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.242 -15.058 -2.534 1.00 0.00 H new ATOM 1165 N LEU A 81 84.994 -13.400 -1.682 1.00 0.00 N ATOM 1166 CA LEU A 81 86.013 -12.485 -2.184 1.00 0.00 C ATOM 1167 C LEU A 81 87.041 -13.239 -3.023 1.00 0.00 C ATOM 1168 O LEU A 81 87.484 -14.329 -2.661 1.00 0.00 O ATOM 1169 CB LEU A 81 86.671 -11.776 -0.996 1.00 0.00 C ATOM 1170 CG LEU A 81 88.072 -11.249 -1.343 1.00 0.00 C ATOM 1171 CD1 LEU A 81 88.405 -10.034 -0.469 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.154 -12.329 -1.201 1.00 0.00 C ATOM 0 H LEU A 81 85.126 -13.693 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 81 85.554 -11.737 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.041 -10.946 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.741 -12.467 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 81 88.060 -10.949 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 81 89.400 -9.666 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.672 -9.247 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 81 88.381 -10.324 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.126 -11.907 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.175 -12.690 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.931 -13.158 -1.872 1.00 0.00 H new ATOM 1184 N LYS A 82 87.385 -12.665 -4.173 1.00 0.00 N ATOM 1185 CA LYS A 82 88.436 -13.220 -5.019 1.00 0.00 C ATOM 1186 C LYS A 82 89.364 -12.104 -5.485 1.00 0.00 C ATOM 1187 O LYS A 82 89.076 -10.923 -5.297 1.00 0.00 O ATOM 1188 CB LYS A 82 87.808 -13.929 -6.228 1.00 0.00 C ATOM 1189 CG LYS A 82 88.266 -15.389 -6.278 1.00 0.00 C ATOM 1190 CD LYS A 82 87.565 -16.154 -7.408 1.00 0.00 C ATOM 1191 CE LYS A 82 88.395 -16.096 -8.694 1.00 0.00 C ATOM 1192 NZ LYS A 82 87.503 -16.277 -9.872 1.00 0.00 N ATOM 0 H LYS A 82 86.952 -11.817 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 82 89.016 -13.945 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.721 -13.883 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.094 -13.418 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.345 -15.429 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.055 -15.872 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.414 -17.192 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.578 -15.727 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.914 -15.140 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 82 89.159 -16.873 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.068 -16.237 -10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.028 -17.200 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 86.790 -15.520 -9.887 1.00 0.00 H new ATOM 1206 N THR A 83 90.414 -12.480 -6.207 1.00 0.00 N ATOM 1207 CA THR A 83 91.306 -11.485 -6.790 1.00 0.00 C ATOM 1208 C THR A 83 90.475 -10.414 -7.487 1.00 0.00 C ATOM 1209 O THR A 83 90.992 -9.374 -7.898 1.00 0.00 O ATOM 1210 CB THR A 83 92.280 -12.134 -7.775 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.587 -12.511 -8.954 1.00 0.00 O ATOM 1212 CG2 THR A 83 92.902 -13.377 -7.135 1.00 0.00 C ATOM 0 H THR A 83 90.666 -13.449 -6.400 1.00 0.00 H new ATOM 0 HA THR A 83 91.895 -11.027 -5.996 1.00 0.00 H new ATOM 0 HB THR A 83 93.064 -11.420 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.214 -12.925 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.596 -13.839 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.438 -13.091 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 83 92.116 -14.088 -6.881 1.00 0.00 H new ATOM 1220 N GLU A 84 89.229 -10.769 -7.784 1.00 0.00 N ATOM 1221 CA GLU A 84 88.327 -9.836 -8.449 1.00 0.00 C ATOM 1222 C GLU A 84 87.921 -8.708 -7.505 1.00 0.00 C ATOM 1223 O GLU A 84 87.807 -7.555 -7.924 1.00 0.00 O ATOM 1224 CB GLU A 84 87.082 -10.581 -8.933 1.00 0.00 C ATOM 1225 CG GLU A 84 86.114 -9.632 -9.644 1.00 0.00 C ATOM 1226 CD GLU A 84 86.803 -8.927 -10.809 1.00 0.00 C ATOM 1227 OE1 GLU A 84 87.441 -7.916 -10.568 1.00 0.00 O ATOM 1228 OE2 GLU A 84 86.643 -9.382 -11.930 1.00 0.00 O ATOM 0 H GLU A 84 88.825 -11.683 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 84 88.846 -9.400 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 87.375 -11.382 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.581 -11.048 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 84 85.253 -10.191 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 84 85.738 -8.893 -8.937 1.00 0.00 H new ATOM 1235 N ASP A 85 87.684 -9.034 -6.237 1.00 0.00 N ATOM 1236 CA ASP A 85 87.260 -8.012 -5.285 1.00 0.00 C ATOM 1237 C ASP A 85 88.386 -7.013 -5.041 1.00 0.00 C ATOM 1238 O ASP A 85 88.209 -6.036 -4.313 1.00 0.00 O ATOM 1239 CB ASP A 85 86.848 -8.673 -3.968 1.00 0.00 C ATOM 1240 CG ASP A 85 85.973 -7.739 -3.140 1.00 0.00 C ATOM 1241 OD1 ASP A 85 85.331 -6.883 -3.725 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.015 -7.851 -1.926 1.00 0.00 O ATOM 0 H ASP A 85 87.775 -9.974 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 85 86.406 -7.476 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.307 -9.597 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.737 -8.944 -3.399 1.00 0.00 H new ATOM 1247 N GLU A 86 89.565 -7.303 -5.588 1.00 0.00 N ATOM 1248 CA GLU A 86 90.710 -6.414 -5.426 1.00 0.00 C ATOM 1249 C GLU A 86 90.428 -5.052 -6.055 1.00 0.00 C ATOM 1250 O GLU A 86 89.985 -4.971 -7.202 1.00 0.00 O ATOM 1251 CB GLU A 86 91.946 -7.018 -6.097 1.00 0.00 C ATOM 1252 CG GLU A 86 93.173 -6.199 -5.698 1.00 0.00 C ATOM 1253 CD GLU A 86 94.433 -6.819 -6.291 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.299 -7.604 -7.216 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.499 -6.575 -5.753 1.00 0.00 O ATOM 0 H GLU A 86 89.750 -8.139 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 86 90.890 -6.290 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.071 -8.057 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.826 -7.015 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.064 -5.173 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.255 -6.158 -4.612 1.00 0.00 H new ATOM 1262 N ALA A 87 90.685 -3.986 -5.300 1.00 0.00 N ATOM 1263 CA ALA A 87 90.525 -2.622 -5.797 1.00 0.00 C ATOM 1264 C ALA A 87 90.377 -1.666 -4.617 1.00 0.00 C ATOM 1265 O ALA A 87 90.316 -2.092 -3.464 1.00 0.00 O ATOM 1266 CB ALA A 87 89.306 -2.508 -6.720 1.00 0.00 C ATOM 0 H ALA A 87 91.008 -4.042 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 87 91.410 -2.358 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.213 -1.481 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.431 -3.176 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.406 -2.785 -6.171 1.00 0.00 H new ATOM 1272 N ASP A 88 90.319 -0.371 -4.910 1.00 0.00 N ATOM 1273 CA ASP A 88 90.075 0.631 -3.878 1.00 0.00 C ATOM 1274 C ASP A 88 88.578 0.795 -3.637 1.00 0.00 C ATOM 1275 O ASP A 88 87.795 0.828 -4.585 1.00 0.00 O ATOM 1276 CB ASP A 88 90.681 1.972 -4.298 1.00 0.00 C ATOM 1277 CG ASP A 88 92.198 1.848 -4.392 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.710 0.800 -4.035 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.821 2.772 -4.887 1.00 0.00 O ATOM 0 H ASP A 88 90.437 0.008 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 88 90.545 0.297 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.272 2.281 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.414 2.744 -3.576 1.00 0.00 H new ATOM 1284 N TYR A 89 88.197 1.043 -2.388 1.00 0.00 N ATOM 1285 CA TYR A 89 86.792 1.220 -2.032 1.00 0.00 C ATOM 1286 C TYR A 89 86.517 2.681 -1.692 1.00 0.00 C ATOM 1287 O TYR A 89 87.400 3.387 -1.208 1.00 0.00 O ATOM 1288 CB TYR A 89 86.457 0.342 -0.822 1.00 0.00 C ATOM 1289 CG TYR A 89 86.091 -1.055 -1.264 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.034 -1.838 -1.941 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.799 -1.550 -1.044 1.00 0.00 C ATOM 1292 CE1 TYR A 89 86.678 -3.105 -2.418 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.458 -2.835 -1.477 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.399 -3.613 -2.163 1.00 0.00 C ATOM 1295 OH TYR A 89 85.068 -4.893 -2.554 1.00 0.00 O ATOM 0 H TYR A 89 88.843 1.126 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 89 86.171 0.929 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.311 0.303 -0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.630 0.781 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.036 -1.465 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.066 -0.938 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.389 -3.690 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.471 -3.227 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 89 85.646 -5.168 -3.296 1.00 0.00 H new ATOM 1305 N TYR A 90 85.265 3.092 -1.870 1.00 0.00 N ATOM 1306 CA TYR A 90 84.842 4.456 -1.573 1.00 0.00 C ATOM 1307 C TYR A 90 83.371 4.462 -1.165 1.00 0.00 C ATOM 1308 O TYR A 90 82.588 3.688 -1.715 1.00 0.00 O ATOM 1309 CB TYR A 90 85.053 5.328 -2.813 1.00 0.00 C ATOM 1310 CG TYR A 90 86.461 5.154 -3.334 1.00 0.00 C ATOM 1311 CD1 TYR A 90 87.502 5.915 -2.790 1.00 0.00 C ATOM 1312 CD2 TYR A 90 86.710 4.312 -4.425 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.813 5.739 -3.250 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.023 4.121 -4.873 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.070 4.855 -4.304 1.00 0.00 C ATOM 1316 OH TYR A 90 90.354 4.723 -4.793 1.00 0.00 O ATOM 0 H TYR A 90 84.519 2.492 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 90 85.433 4.855 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.334 5.056 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.874 6.375 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 90 87.294 6.638 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 90 85.891 3.811 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 90 89.625 6.285 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 90 88.228 3.407 -5.657 1.00 0.00 H new ATOM 0 HH TYR A 90 90.997 4.893 -4.073 1.00 0.00 H new ATOM 1326 N CYS A 91 82.989 5.346 -0.242 1.00 0.00 N ATOM 1327 CA CYS A 91 81.599 5.460 0.200 1.00 0.00 C ATOM 1328 C CYS A 91 81.094 6.875 -0.086 1.00 0.00 C ATOM 1329 O CYS A 91 81.787 7.841 0.236 1.00 0.00 O ATOM 1330 CB CYS A 91 81.448 5.187 1.707 1.00 0.00 C ATOM 1331 SG CYS A 91 82.107 3.591 2.268 1.00 0.00 S ATOM 0 H CYS A 91 83.627 5.997 0.216 1.00 0.00 H new ATOM 0 HA CYS A 91 81.019 4.715 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 91 81.949 5.983 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.390 5.237 1.966 1.00 0.00 H new ATOM 1336 N GLN A 92 79.840 7.011 -0.520 1.00 0.00 N ATOM 1337 CA GLN A 92 79.207 8.326 -0.642 1.00 0.00 C ATOM 1338 C GLN A 92 77.902 8.384 0.150 1.00 0.00 C ATOM 1339 O GLN A 92 77.202 7.379 0.284 1.00 0.00 O ATOM 1340 CB GLN A 92 78.930 8.654 -2.116 1.00 0.00 C ATOM 1341 CG GLN A 92 80.010 8.044 -3.014 1.00 0.00 C ATOM 1342 CD GLN A 92 80.071 8.803 -4.336 1.00 0.00 C ATOM 1343 OE1 GLN A 92 80.098 10.034 -4.342 1.00 0.00 O ATOM 1344 NE2 GLN A 92 80.135 8.140 -5.457 1.00 0.00 N ATOM 0 H GLN A 92 79.244 6.229 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 92 79.896 9.065 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 92 77.951 8.270 -2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.901 9.735 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 92 80.978 8.086 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 92 79.792 6.992 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 92 80.112 7.120 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 92 80.208 8.641 -6.342 1.00 0.00 H new ATOM 1353 N SER A 93 77.602 9.551 0.720 1.00 0.00 N ATOM 1354 CA SER A 93 76.367 9.748 1.473 1.00 0.00 C ATOM 1355 C SER A 93 75.715 11.072 1.086 1.00 0.00 C ATOM 1356 O SER A 93 76.298 12.141 1.271 1.00 0.00 O ATOM 1357 CB SER A 93 76.674 9.766 2.972 1.00 0.00 C ATOM 1358 OG SER A 93 77.293 10.999 3.311 1.00 0.00 O ATOM 0 H SER A 93 78.201 10.376 0.673 1.00 0.00 H new ATOM 0 HA SER A 93 75.686 8.929 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.755 9.638 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.329 8.934 3.230 1.00 0.00 H new ATOM 0 HG SER A 93 77.398 11.545 2.504 1.00 0.00 H new ATOM 1364 N TYR A 94 74.462 11.005 0.648 1.00 0.00 N ATOM 1365 CA TYR A 94 73.728 12.216 0.296 1.00 0.00 C ATOM 1366 C TYR A 94 72.220 11.984 0.315 1.00 0.00 C ATOM 1367 O TYR A 94 71.732 10.982 -0.207 1.00 0.00 O ATOM 1368 CB TYR A 94 74.176 12.703 -1.083 1.00 0.00 C ATOM 1369 CG TYR A 94 74.172 11.553 -2.059 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.976 11.163 -2.673 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.368 10.896 -2.369 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.969 10.085 -3.565 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.373 9.867 -3.317 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.175 9.471 -3.924 1.00 0.00 C ATOM 1375 OH TYR A 94 74.185 8.470 -4.872 1.00 0.00 O ATOM 0 H TYR A 94 73.939 10.137 0.529 1.00 0.00 H new ATOM 0 HA TYR A 94 73.949 12.980 1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 94 73.510 13.492 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.175 13.134 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.060 11.693 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 94 76.286 11.183 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.036 9.728 -3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.300 9.379 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 94 75.103 8.153 -5.003 1.00 0.00 H new ATOM 1385 N ASP A 95 71.493 12.883 0.971 1.00 0.00 N ATOM 1386 CA ASP A 95 70.037 12.805 1.030 1.00 0.00 C ATOM 1387 C ASP A 95 69.401 13.745 0.012 1.00 0.00 C ATOM 1388 O ASP A 95 69.924 13.926 -1.087 1.00 0.00 O ATOM 1389 CB ASP A 95 69.557 13.194 2.430 1.00 0.00 C ATOM 1390 CG ASP A 95 70.240 12.306 3.464 1.00 0.00 C ATOM 1391 OD1 ASP A 95 70.902 11.369 3.054 1.00 0.00 O ATOM 1392 OD2 ASP A 95 70.134 12.605 4.642 1.00 0.00 O ATOM 0 H ASP A 95 71.891 13.678 1.472 1.00 0.00 H new ATOM 0 HA ASP A 95 69.741 11.781 0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 95 69.785 14.242 2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 95 68.475 13.085 2.499 1.00 0.00 H new ATOM 1397 N SER A 96 68.225 14.268 0.345 1.00 0.00 N ATOM 1398 CA SER A 96 67.524 15.194 -0.536 1.00 0.00 C ATOM 1399 C SER A 96 68.035 16.618 -0.335 1.00 0.00 C ATOM 1400 O SER A 96 67.823 17.483 -1.185 1.00 0.00 O ATOM 1401 CB SER A 96 66.022 15.122 -0.251 1.00 0.00 C ATOM 1402 OG SER A 96 65.447 14.093 -1.040 1.00 0.00 O ATOM 0 H SER A 96 67.738 14.066 1.218 1.00 0.00 H new ATOM 0 HA SER A 96 67.710 14.912 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 96 65.849 14.925 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 96 65.550 16.078 -0.478 1.00 0.00 H new ATOM 0 HG SER A 96 64.485 14.042 -0.860 1.00 0.00 H new ATOM 1408 N SER A 97 68.546 16.895 0.861 1.00 0.00 N ATOM 1409 CA SER A 97 68.976 18.247 1.201 1.00 0.00 C ATOM 1410 C SER A 97 70.392 18.499 0.686 1.00 0.00 C ATOM 1411 O SER A 97 71.199 19.140 1.359 1.00 0.00 O ATOM 1412 CB SER A 97 68.913 18.447 2.720 1.00 0.00 C ATOM 1413 OG SER A 97 68.015 17.500 3.278 1.00 0.00 O ATOM 0 H SER A 97 68.672 16.208 1.605 1.00 0.00 H new ATOM 0 HA SER A 97 68.306 18.963 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 97 69.905 18.327 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 97 68.583 19.460 2.952 1.00 0.00 H new ATOM 0 HG SER A 97 67.972 17.622 4.249 1.00 0.00 H new ATOM 1419 N ASN A 98 70.712 17.939 -0.475 1.00 0.00 N ATOM 1420 CA ASN A 98 72.039 18.115 -1.054 1.00 0.00 C ATOM 1421 C ASN A 98 73.118 17.770 -0.032 1.00 0.00 C ATOM 1422 O ASN A 98 73.020 16.761 0.666 1.00 0.00 O ATOM 1423 CB ASN A 98 72.220 19.561 -1.518 1.00 0.00 C ATOM 1424 CG ASN A 98 71.131 19.942 -2.516 1.00 0.00 C ATOM 1425 OD1 ASN A 98 71.420 20.564 -3.538 1.00 0.00 O ATOM 1426 ND2 ASN A 98 69.889 19.618 -2.279 1.00 0.00 N ATOM 0 H ASN A 98 70.078 17.364 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 98 72.133 17.445 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 98 72.185 20.232 -0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 98 73.201 19.682 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 98 69.158 19.880 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 98 69.649 19.103 -1.432 1.00 0.00 H new ATOM 1433 N HIS A 99 74.156 18.597 0.040 1.00 0.00 N ATOM 1434 CA HIS A 99 75.251 18.347 0.968 1.00 0.00 C ATOM 1435 C HIS A 99 75.725 16.902 0.854 1.00 0.00 C ATOM 1436 O HIS A 99 75.307 16.037 1.625 1.00 0.00 O ATOM 1437 CB HIS A 99 74.794 18.636 2.401 1.00 0.00 C ATOM 1438 CG HIS A 99 74.823 20.116 2.673 1.00 0.00 C ATOM 1439 ND1 HIS A 99 74.682 20.633 3.950 1.00 0.00 N ATOM 1440 CD2 HIS A 99 75.002 21.200 1.847 1.00 0.00 C ATOM 1441 CE1 HIS A 99 74.782 21.969 3.860 1.00 0.00 C ATOM 1442 NE2 HIS A 99 74.977 22.370 2.601 1.00 0.00 N ATOM 0 H HIS A 99 74.261 19.438 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 99 76.081 19.007 0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 99 73.785 18.252 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 99 75.442 18.117 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 99 75.141 21.151 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 99 74.713 22.639 4.704 1.00 0.00 H new ATOM 0 HE2 HIS A 99 75.084 23.327 2.265 1.00 0.00 H new ATOM 1450 N VAL A 100 76.573 16.636 -0.136 1.00 0.00 N ATOM 1451 CA VAL A 100 77.089 15.292 -0.367 1.00 0.00 C ATOM 1452 C VAL A 100 78.504 15.152 0.183 1.00 0.00 C ATOM 1453 O VAL A 100 79.341 16.041 0.024 1.00 0.00 O ATOM 1454 CB VAL A 100 77.074 14.999 -1.869 1.00 0.00 C ATOM 1455 CG1 VAL A 100 77.701 16.175 -2.620 1.00 0.00 C ATOM 1456 CG2 VAL A 100 77.840 13.709 -2.175 1.00 0.00 C ATOM 0 H VAL A 100 76.918 17.337 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 100 76.454 14.574 0.153 1.00 0.00 H new ATOM 0 HB VAL A 100 76.042 14.867 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 100 77.692 15.970 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 100 77.129 17.081 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 100 78.729 16.313 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 100 77.818 13.518 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 100 78.874 13.813 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 100 77.374 12.876 -1.649 1.00 0.00 H new ATOM 1466 N VAL A 101 78.761 14.011 0.817 1.00 0.00 N ATOM 1467 CA VAL A 101 80.067 13.732 1.400 1.00 0.00 C ATOM 1468 C VAL A 101 80.507 12.314 1.048 1.00 0.00 C ATOM 1469 O VAL A 101 79.731 11.365 1.160 1.00 0.00 O ATOM 1470 CB VAL A 101 79.978 13.888 2.921 1.00 0.00 C ATOM 1471 CG1 VAL A 101 81.373 14.127 3.498 1.00 0.00 C ATOM 1472 CG2 VAL A 101 79.058 15.064 3.258 1.00 0.00 C ATOM 0 H VAL A 101 78.078 13.263 0.939 1.00 0.00 H new ATOM 0 HA VAL A 101 80.801 14.433 1.001 1.00 0.00 H new ATOM 0 HB VAL A 101 79.569 12.977 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 101 81.305 14.237 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 101 82.016 13.279 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 101 81.795 15.035 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 101 78.993 15.177 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 101 79.461 15.978 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 101 78.064 14.876 2.853 1.00 0.00 H new ATOM 1482 N PHE A 102 81.743 12.185 0.577 1.00 0.00 N ATOM 1483 CA PHE A 102 82.274 10.882 0.195 1.00 0.00 C ATOM 1484 C PHE A 102 83.774 10.810 0.464 1.00 0.00 C ATOM 1485 O PHE A 102 84.428 11.841 0.627 1.00 0.00 O ATOM 1486 CB PHE A 102 82.014 10.640 -1.293 1.00 0.00 C ATOM 1487 CG PHE A 102 82.732 11.692 -2.105 1.00 0.00 C ATOM 1488 CD1 PHE A 102 84.029 11.447 -2.572 1.00 0.00 C ATOM 1489 CD2 PHE A 102 82.050 12.850 -2.501 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.675 12.403 -3.365 1.00 0.00 C ATOM 1491 CE2 PHE A 102 82.726 13.838 -3.227 1.00 0.00 C ATOM 1492 CZ PHE A 102 84.022 13.596 -3.697 1.00 0.00 C ATOM 0 H PHE A 102 82.392 12.962 0.451 1.00 0.00 H new ATOM 0 HA PHE A 102 81.775 10.117 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.360 9.646 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 102 80.944 10.675 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 102 84.530 10.523 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 102 81.008 12.980 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 102 85.678 12.220 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 102 82.248 14.786 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 102 84.518 14.329 -4.316 1.00 0.00 H new ATOM 1502 N GLY A 103 84.327 9.601 0.416 1.00 0.00 N ATOM 1503 CA GLY A 103 85.766 9.411 0.582 1.00 0.00 C ATOM 1504 C GLY A 103 86.040 8.360 1.649 1.00 0.00 C ATOM 1505 O GLY A 103 85.382 7.320 1.690 1.00 0.00 O ATOM 0 H GLY A 103 83.802 8.740 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 86.211 9.103 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 103 86.234 10.354 0.862 1.00 0.00 H new ATOM 1509 N GLY A 104 87.046 8.623 2.477 1.00 0.00 N ATOM 1510 CA GLY A 104 87.460 7.664 3.494 1.00 0.00 C ATOM 1511 C GLY A 104 87.541 6.263 2.901 1.00 0.00 C ATOM 1512 O GLY A 104 87.505 5.261 3.616 1.00 0.00 O ATOM 0 H GLY A 104 87.587 9.488 2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 104 88.430 7.951 3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 104 86.752 7.675 4.323 1.00 0.00 H new ATOM 1516 N GLY A 105 87.845 6.219 1.610 1.00 0.00 N ATOM 1517 CA GLY A 105 87.973 4.949 0.908 1.00 0.00 C ATOM 1518 C GLY A 105 88.963 4.026 1.610 1.00 0.00 C ATOM 1519 O GLY A 105 89.795 4.477 2.397 1.00 0.00 O ATOM 0 H GLY A 105 88.007 7.043 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 105 86.999 4.464 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 105 88.302 5.128 -0.116 1.00 0.00 H new ATOM 1523 N THR A 106 88.838 2.726 1.354 1.00 0.00 N ATOM 1524 CA THR A 106 89.710 1.728 1.966 1.00 0.00 C ATOM 1525 C THR A 106 90.359 0.856 0.895 1.00 0.00 C ATOM 1526 O THR A 106 89.683 0.347 0.000 1.00 0.00 O ATOM 1527 CB THR A 106 88.904 0.846 2.924 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.446 1.633 4.013 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.777 -0.294 3.456 1.00 0.00 C ATOM 0 H THR A 106 88.137 2.338 0.723 1.00 0.00 H new ATOM 0 HA THR A 106 90.492 2.247 2.521 1.00 0.00 H new ATOM 0 HB THR A 106 88.055 0.423 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.195 1.825 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 106 89.192 -0.913 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.129 -0.902 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.633 0.121 3.989 1.00 0.00 H new ATOM 1537 N LYS A 107 91.678 0.708 0.982 1.00 0.00 N ATOM 1538 CA LYS A 107 92.409 -0.090 0.005 1.00 0.00 C ATOM 1539 C LYS A 107 92.291 -1.572 0.342 1.00 0.00 C ATOM 1540 O LYS A 107 92.845 -2.031 1.342 1.00 0.00 O ATOM 1541 CB LYS A 107 93.890 0.299 0.011 1.00 0.00 C ATOM 1542 CG LYS A 107 94.629 -0.475 -1.083 1.00 0.00 C ATOM 1543 CD LYS A 107 96.071 0.029 -1.170 1.00 0.00 C ATOM 1544 CE LYS A 107 96.789 -0.643 -2.342 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.360 -0.008 -3.620 1.00 0.00 N ATOM 0 H LYS A 107 92.257 1.126 1.711 1.00 0.00 H new ATOM 0 HA LYS A 107 91.982 0.098 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.995 1.371 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.330 0.081 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.617 -1.542 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.127 -0.343 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.080 1.111 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.597 -0.185 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 107 97.868 -0.550 -2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.561 -1.709 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 96.967 -0.344 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 95.371 -0.262 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 96.442 1.026 -3.539 1.00 0.00 H new ATOM 1559 N LEU A 108 91.560 -2.315 -0.484 1.00 0.00 N ATOM 1560 CA LEU A 108 91.424 -3.755 -0.292 1.00 0.00 C ATOM 1561 C LEU A 108 92.372 -4.505 -1.221 1.00 0.00 C ATOM 1562 O LEU A 108 92.347 -4.310 -2.436 1.00 0.00 O ATOM 1563 CB LEU A 108 89.976 -4.178 -0.563 1.00 0.00 C ATOM 1564 CG LEU A 108 89.762 -5.674 -0.297 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.925 -5.975 1.197 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.377 -6.118 -0.790 1.00 0.00 C ATOM 0 H LEU A 108 91.055 -1.946 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 108 91.682 -4.001 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.303 -3.597 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.719 -3.952 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 108 90.515 -6.236 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.771 -7.040 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.929 -5.696 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.191 -5.403 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.244 -7.182 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.606 -5.553 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.296 -5.935 -1.862 1.00 0.00 H new ATOM 1578 N THR A 109 93.209 -5.361 -0.641 1.00 0.00 N ATOM 1579 CA THR A 109 94.152 -6.161 -1.419 1.00 0.00 C ATOM 1580 C THR A 109 93.876 -7.648 -1.216 1.00 0.00 C ATOM 1581 O THR A 109 93.941 -8.160 -0.098 1.00 0.00 O ATOM 1582 CB THR A 109 95.590 -5.827 -1.009 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.661 -4.475 -0.580 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.538 -6.040 -2.194 1.00 0.00 C ATOM 0 H THR A 109 93.254 -5.519 0.366 1.00 0.00 H new ATOM 0 HA THR A 109 94.025 -5.924 -2.475 1.00 0.00 H new ATOM 0 HB THR A 109 95.888 -6.485 -0.192 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.581 -4.263 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.557 -5.800 -1.892 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.490 -7.080 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.241 -5.391 -3.018 1.00 0.00 H new ATOM 1592 N VAL A 110 93.658 -8.354 -2.320 1.00 0.00 N ATOM 1593 CA VAL A 110 93.416 -9.789 -2.266 1.00 0.00 C ATOM 1594 C VAL A 110 94.735 -10.554 -2.310 1.00 0.00 C ATOM 1595 O VAL A 110 95.232 -10.874 -3.390 1.00 0.00 O ATOM 1596 CB VAL A 110 92.559 -10.209 -3.462 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.295 -11.720 -3.413 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.247 -9.418 -3.457 1.00 0.00 C ATOM 0 H VAL A 110 93.644 -7.957 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 110 92.899 -10.019 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 110 93.090 -9.989 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.684 -12.011 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.243 -12.256 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.770 -11.968 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.638 -9.718 -4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.704 -9.620 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.465 -8.352 -3.524 1.00 0.00 H new ATOM 1608 N LEU A 111 95.257 -10.894 -1.135 1.00 0.00 N ATOM 1609 CA LEU A 111 96.548 -11.564 -1.021 1.00 0.00 C ATOM 1610 C LEU A 111 96.763 -12.548 -2.167 1.00 0.00 C ATOM 1611 O LEU A 111 97.869 -12.596 -2.680 1.00 0.00 O ATOM 1612 CB LEU A 111 96.632 -12.335 0.300 1.00 0.00 C ATOM 1613 CG LEU A 111 96.502 -11.391 1.504 1.00 0.00 C ATOM 1614 CD1 LEU A 111 95.846 -12.110 2.690 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.874 -10.846 1.917 1.00 0.00 C ATOM 1616 OXT LEU A 111 95.821 -13.249 -2.502 1.00 0.00 O ATOM 0 H LEU A 111 94.800 -10.714 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 111 97.318 -10.794 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.843 -13.086 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.581 -12.868 0.353 1.00 0.00 H new ATOM 0 HG LEU A 111 95.868 -10.555 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 111 95.764 -11.423 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 111 94.852 -12.453 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.456 -12.966 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.758 -10.179 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.528 -11.675 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.313 -10.296 1.085 1.00 0.00 H new TER 1628 LEU A 111