USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 811 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 56 GLN : amide:sc=-0.00778 K(o=-6.7,f=-5.8) USER MOD Set 1.2: A 57 ASN : amide:sc= -6.68! C(o=-6.7!,f=-5.8!) USER MOD Set 2.1: A 4 MET CE :methyl -151:sc= -1.36 (180deg=-3.66!) USER MOD Set 2.2: A 24 THR OG1 : rot -118:sc= -1.74 USER MOD Set 2.3: A 26 LYS NZ :NH3+ -146:sc= -0.896 (180deg=-0.517) USER MOD Set 2.4: A 27 MET CE :methyl -115:sc= -6.91! (180deg=-2.25!) USER MOD Set 2.5: A 34 HIS : no HE2:sc= -11.2! C(o=-24!,f=-24!) USER MOD Set 2.6: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 2.7: A 85 TYR OH : rot 180:sc= -2.26! USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0312) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.59 K(o=-4.6,f=-6.1!) USER MOD Single : A 12 THR OG1 : rot 28:sc= 0.768 USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= 0.249 (180deg=-2.03) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 128:sc= 0.591 USER MOD Single : A 19 SER OG : rot 113:sc= 1.23 USER MOD Single : A 25 MET CE :methyl -168:sc= -0.953 (180deg=-1.37!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc=-0.00673 X(o=-0.0067,f=-0.12) USER MOD Single : A 35 THR OG1 : rot 110:sc= -0.227 USER MOD Single : A 39 GLN : amide:sc= -0.492 K(o=-0.49,f=-7!) USER MOD Single : A 40 TYR OH : rot -30:sc= -0.879 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.247 (180deg=0.216) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -25:sc= -5.71! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 59 HIS : no HD1:sc= -2.28 X(o=-2.3,f=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 172:sc= -5.94! (180deg=-6.19!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.855 USER MOD Single : A 70 THR OG1 : rot 154:sc= 0.983 USER MOD Single : A 72 TYR OH : rot -142:sc= -2.73 USER MOD Single : A 81 SER OG : rot 61:sc= 1.02 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 86 ASN : amide:sc= -2.82! K(o=-2.8!,f=-1.3) USER MOD Single : A 90 SER OG : rot 39:sc= -3.59 USER MOD Single : A 93 SER OG : rot 90:sc= -1.48! USER MOD Single : A 97 SER OG : rot -118:sc= 0.468! USER MOD Single : A 100 THR OG1 : rot -67:sc= -0.321 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.241 0.874 -10.197 1.00 0.00 N ATOM 2 CA MET A 1 13.581 2.203 -9.625 1.00 0.00 C ATOM 3 C MET A 1 13.213 3.326 -10.589 1.00 0.00 C ATOM 4 O MET A 1 13.736 3.400 -11.700 1.00 0.00 O ATOM 5 CB MET A 1 15.082 2.237 -9.324 1.00 0.00 C ATOM 6 CG MET A 1 15.427 1.856 -7.893 1.00 0.00 C ATOM 7 SD MET A 1 16.644 2.963 -7.156 1.00 0.00 S ATOM 8 CE MET A 1 15.652 4.433 -6.903 1.00 0.00 C ATOM 0 H1 MET A 1 13.502 0.128 -9.521 1.00 0.00 H new ATOM 0 H2 MET A 1 12.219 0.828 -10.386 1.00 0.00 H new ATOM 0 H3 MET A 1 13.764 0.734 -11.085 1.00 0.00 H new ATOM 0 HA MET A 1 13.011 2.355 -8.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.596 1.559 -10.005 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.461 3.239 -9.526 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.520 1.866 -7.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.811 0.836 -7.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.215 5.154 -6.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.401 4.873 -7.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.735 4.167 -6.376 1.00 0.00 H new ATOM 20 N ILE A 2 12.309 4.199 -10.156 1.00 0.00 N ATOM 21 CA ILE A 2 11.873 5.319 -10.980 1.00 0.00 C ATOM 22 C ILE A 2 12.870 6.471 -10.910 1.00 0.00 C ATOM 23 O ILE A 2 13.663 6.559 -9.972 1.00 0.00 O ATOM 24 CB ILE A 2 10.481 5.824 -10.552 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.958 6.858 -11.551 1.00 0.00 C ATOM 26 CG2 ILE A 2 10.537 6.415 -9.151 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.495 7.194 -11.362 1.00 0.00 C ATOM 0 H ILE A 2 11.865 4.152 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 2 11.815 4.956 -12.006 1.00 0.00 H new ATOM 0 HB ILE A 2 9.794 4.978 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.547 7.771 -11.459 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.108 6.482 -12.563 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.546 6.767 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.869 5.652 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.237 7.251 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.193 7.933 -12.104 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.896 6.292 -11.483 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.341 7.600 -10.362 1.00 0.00 H new ATOM 39 N GLN A 3 12.831 7.348 -11.908 1.00 0.00 N ATOM 40 CA GLN A 3 13.740 8.488 -11.955 1.00 0.00 C ATOM 41 C GLN A 3 12.980 9.806 -11.874 1.00 0.00 C ATOM 42 O GLN A 3 13.473 10.786 -11.315 1.00 0.00 O ATOM 43 CB GLN A 3 14.579 8.447 -13.234 1.00 0.00 C ATOM 44 CG GLN A 3 13.789 8.044 -14.468 1.00 0.00 C ATOM 45 CD GLN A 3 14.182 8.842 -15.698 1.00 0.00 C ATOM 46 OE1 GLN A 3 15.294 8.709 -16.209 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.268 9.676 -16.179 1.00 0.00 N ATOM 0 H GLN A 3 12.182 7.292 -12.693 1.00 0.00 H new ATOM 0 HA GLN A 3 14.401 8.423 -11.091 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.020 9.430 -13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.403 7.747 -13.096 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.943 6.983 -14.663 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.725 8.181 -14.275 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.359 9.754 -15.723 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.475 10.239 -17.004 1.00 0.00 H new ATOM 56 N MET A 4 11.782 9.821 -12.434 1.00 0.00 N ATOM 57 CA MET A 4 10.948 11.018 -12.427 1.00 0.00 C ATOM 58 C MET A 4 9.648 10.769 -11.670 1.00 0.00 C ATOM 59 O MET A 4 9.430 9.684 -11.133 1.00 0.00 O ATOM 60 CB MET A 4 10.642 11.462 -13.859 1.00 0.00 C ATOM 61 CG MET A 4 10.891 12.943 -14.103 1.00 0.00 C ATOM 62 SD MET A 4 9.378 13.846 -14.485 1.00 0.00 S ATOM 63 CE MET A 4 10.028 15.473 -14.859 1.00 0.00 C ATOM 0 H MET A 4 11.362 9.017 -12.901 1.00 0.00 H new ATOM 0 HA MET A 4 11.498 11.811 -11.919 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.253 10.881 -14.549 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.600 11.235 -14.086 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.357 13.380 -13.220 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.596 13.058 -14.926 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.282 16.228 -14.612 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.930 15.648 -14.272 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.269 15.534 -15.920 1.00 0.00 H new ATOM 73 N ALA A 5 8.787 11.780 -11.631 1.00 0.00 N ATOM 74 CA ALA A 5 7.508 11.670 -10.940 1.00 0.00 C ATOM 75 C ALA A 5 6.443 12.532 -11.617 1.00 0.00 C ATOM 76 O ALA A 5 6.560 13.757 -11.650 1.00 0.00 O ATOM 77 CB ALA A 5 7.665 12.073 -9.481 1.00 0.00 C ATOM 0 H ALA A 5 8.952 12.686 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 5 7.182 10.631 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.704 11.987 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.389 11.417 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.014 13.104 -9.424 1.00 0.00 H new ATOM 83 N PRO A 6 5.388 11.909 -12.173 1.00 0.00 N ATOM 84 CA PRO A 6 4.311 12.637 -12.853 1.00 0.00 C ATOM 85 C PRO A 6 3.681 13.714 -11.969 1.00 0.00 C ATOM 86 O PRO A 6 3.388 13.472 -10.799 1.00 0.00 O ATOM 87 CB PRO A 6 3.288 11.548 -13.176 1.00 0.00 C ATOM 88 CG PRO A 6 4.075 10.286 -13.213 1.00 0.00 C ATOM 89 CD PRO A 6 5.160 10.451 -12.189 1.00 0.00 C ATOM 0 HA PRO A 6 4.678 13.170 -13.730 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.505 11.504 -12.419 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.798 11.737 -14.131 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.446 9.426 -12.982 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.495 10.116 -14.204 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.851 10.081 -11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.062 9.905 -12.466 1.00 0.00 H new ATOM 97 N PRO A 7 3.459 14.922 -12.521 1.00 0.00 N ATOM 98 CA PRO A 7 2.856 16.032 -11.776 1.00 0.00 C ATOM 99 C PRO A 7 1.465 15.685 -11.253 1.00 0.00 C ATOM 100 O PRO A 7 1.074 14.518 -11.229 1.00 0.00 O ATOM 101 CB PRO A 7 2.773 17.167 -12.806 1.00 0.00 C ATOM 102 CG PRO A 7 2.912 16.507 -14.135 1.00 0.00 C ATOM 103 CD PRO A 7 3.772 15.300 -13.908 1.00 0.00 C ATOM 0 HA PRO A 7 3.441 16.290 -10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.825 17.699 -12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.564 17.900 -12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.938 16.223 -14.534 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.369 17.181 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.534 14.499 -14.607 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.830 15.530 -14.034 1.00 0.00 H new ATOM 111 N SER A 8 0.723 16.706 -10.838 1.00 0.00 N ATOM 112 CA SER A 8 -0.627 16.510 -10.319 1.00 0.00 C ATOM 113 C SER A 8 -1.664 16.863 -11.378 1.00 0.00 C ATOM 114 O SER A 8 -2.001 18.032 -11.566 1.00 0.00 O ATOM 115 CB SER A 8 -0.846 17.365 -9.068 1.00 0.00 C ATOM 116 OG SER A 8 -2.121 17.122 -8.498 1.00 0.00 O ATOM 0 H SER A 8 1.033 17.678 -10.851 1.00 0.00 H new ATOM 0 HA SER A 8 -0.742 15.459 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.069 17.147 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.755 18.420 -9.325 1.00 0.00 H new ATOM 0 HG SER A 8 -2.234 17.679 -7.700 1.00 0.00 H new ATOM 122 N LEU A 9 -2.163 15.847 -12.073 1.00 0.00 N ATOM 123 CA LEU A 9 -3.158 16.056 -13.119 1.00 0.00 C ATOM 124 C LEU A 9 -4.555 16.200 -12.530 1.00 0.00 C ATOM 125 O LEU A 9 -4.902 15.538 -11.552 1.00 0.00 O ATOM 126 CB LEU A 9 -3.134 14.901 -14.124 1.00 0.00 C ATOM 127 CG LEU A 9 -2.840 15.304 -15.572 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.201 14.173 -16.521 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.588 16.573 -15.947 1.00 0.00 C ATOM 0 H LEU A 9 -1.896 14.873 -11.932 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.905 16.982 -13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.383 14.178 -13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.098 14.393 -14.093 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.772 15.504 -15.658 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.986 14.475 -17.546 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.614 13.289 -16.273 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.262 13.943 -16.426 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.362 16.837 -16.980 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.660 16.408 -15.841 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.279 17.385 -15.289 1.00 0.00 H new ATOM 141 N ASN A 10 -5.354 17.066 -13.140 1.00 0.00 N ATOM 142 CA ASN A 10 -6.721 17.300 -12.688 1.00 0.00 C ATOM 143 C ASN A 10 -7.560 17.934 -13.794 1.00 0.00 C ATOM 144 O ASN A 10 -7.102 18.840 -14.490 1.00 0.00 O ATOM 145 CB ASN A 10 -6.728 18.195 -11.448 1.00 0.00 C ATOM 146 CG ASN A 10 -6.274 19.608 -11.750 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.094 19.935 -11.626 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.215 20.457 -12.148 1.00 0.00 N ATOM 0 H ASN A 10 -5.079 17.620 -13.951 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.160 16.336 -12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.734 18.222 -11.029 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.077 17.762 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.971 21.423 -12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.181 20.142 -12.237 1.00 0.00 H new ATOM 155 N VAL A 11 -8.793 17.456 -13.948 1.00 0.00 N ATOM 156 CA VAL A 11 -9.694 17.982 -14.968 1.00 0.00 C ATOM 157 C VAL A 11 -10.523 19.137 -14.418 1.00 0.00 C ATOM 158 O VAL A 11 -11.070 19.053 -13.318 1.00 0.00 O ATOM 159 CB VAL A 11 -10.645 16.894 -15.507 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.577 17.468 -16.563 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.857 15.723 -16.069 1.00 0.00 C ATOM 0 H VAL A 11 -9.189 16.707 -13.380 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.068 18.337 -15.787 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.252 16.532 -14.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.239 16.683 -16.929 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.172 18.270 -16.126 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.989 17.863 -17.392 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.547 14.967 -16.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.221 16.070 -16.883 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.237 15.291 -15.283 1.00 0.00 H new ATOM 171 N THR A 12 -10.614 20.213 -15.190 1.00 0.00 N ATOM 172 CA THR A 12 -11.379 21.384 -14.782 1.00 0.00 C ATOM 173 C THR A 12 -12.327 21.826 -15.880 1.00 0.00 C ATOM 174 O THR A 12 -11.914 22.172 -16.987 1.00 0.00 O ATOM 175 CB THR A 12 -10.443 22.531 -14.402 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.798 23.052 -15.551 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.370 22.125 -13.416 1.00 0.00 C ATOM 0 H THR A 12 -10.167 20.299 -16.103 1.00 0.00 H new ATOM 0 HA THR A 12 -11.971 21.109 -13.909 1.00 0.00 H new ATOM 0 HB THR A 12 -11.079 23.281 -13.932 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.367 22.914 -16.337 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.740 22.985 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.836 21.764 -12.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.759 21.333 -13.849 1.00 0.00 H new ATOM 185 N LYS A 13 -13.608 21.810 -15.551 1.00 0.00 N ATOM 186 CA LYS A 13 -14.652 22.204 -16.484 1.00 0.00 C ATOM 187 C LYS A 13 -15.211 23.576 -16.100 1.00 0.00 C ATOM 188 O LYS A 13 -15.248 23.934 -14.923 1.00 0.00 O ATOM 189 CB LYS A 13 -15.754 21.123 -16.516 1.00 0.00 C ATOM 190 CG LYS A 13 -17.182 21.648 -16.614 1.00 0.00 C ATOM 191 CD LYS A 13 -18.115 20.623 -17.236 1.00 0.00 C ATOM 192 CE LYS A 13 -18.595 21.067 -18.608 1.00 0.00 C ATOM 193 NZ LYS A 13 -20.071 21.257 -18.647 1.00 0.00 N ATOM 0 H LYS A 13 -13.953 21.525 -14.634 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.236 22.290 -17.488 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.568 20.464 -17.364 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.669 20.515 -15.615 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.542 21.912 -15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.194 22.561 -17.210 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.601 19.666 -17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.973 20.466 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.102 22.000 -18.880 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.305 20.325 -19.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.439 20.928 -19.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.512 20.711 -17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.294 22.266 -18.527 1.00 0.00 H new ATOM 207 N ASP A 14 -15.640 24.335 -17.100 1.00 0.00 N ATOM 208 CA ASP A 14 -16.191 25.663 -16.865 1.00 0.00 C ATOM 209 C ASP A 14 -17.149 26.064 -17.982 1.00 0.00 C ATOM 210 O ASP A 14 -16.949 27.077 -18.650 1.00 0.00 O ATOM 211 CB ASP A 14 -15.063 26.690 -16.750 1.00 0.00 C ATOM 212 CG ASP A 14 -14.350 26.617 -15.415 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.940 27.048 -14.402 1.00 0.00 O ATOM 214 OD2 ASP A 14 -13.201 26.129 -15.381 1.00 0.00 O ATOM 0 H ASP A 14 -15.617 24.054 -18.080 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.749 25.637 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.344 26.527 -17.553 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.471 27.691 -16.887 1.00 0.00 H new ATOM 219 N GLY A 15 -18.191 25.263 -18.179 1.00 0.00 N ATOM 220 CA GLY A 15 -19.162 25.553 -19.215 1.00 0.00 C ATOM 221 C GLY A 15 -19.441 24.354 -20.098 1.00 0.00 C ATOM 222 O GLY A 15 -20.317 23.543 -19.799 1.00 0.00 O ATOM 0 H GLY A 15 -18.379 24.418 -17.639 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.092 25.886 -18.754 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.798 26.376 -19.830 1.00 0.00 H new ATOM 226 N ASP A 16 -18.693 24.242 -21.190 1.00 0.00 N ATOM 227 CA ASP A 16 -18.863 23.133 -22.121 1.00 0.00 C ATOM 228 C ASP A 16 -17.520 22.702 -22.705 1.00 0.00 C ATOM 229 O ASP A 16 -17.460 22.132 -23.794 1.00 0.00 O ATOM 230 CB ASP A 16 -19.820 23.529 -23.245 1.00 0.00 C ATOM 231 CG ASP A 16 -21.044 24.262 -22.733 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.929 25.468 -22.428 1.00 0.00 O ATOM 233 OD2 ASP A 16 -22.116 23.630 -22.635 1.00 0.00 O ATOM 0 H ASP A 16 -17.964 24.905 -21.452 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.286 22.291 -21.573 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.294 24.162 -23.960 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.134 22.634 -23.782 1.00 0.00 H new ATOM 238 N SER A 17 -16.447 22.976 -21.970 1.00 0.00 N ATOM 239 CA SER A 17 -15.104 22.617 -22.409 1.00 0.00 C ATOM 240 C SER A 17 -14.271 22.120 -21.234 1.00 0.00 C ATOM 241 O SER A 17 -14.262 22.731 -20.165 1.00 0.00 O ATOM 242 CB SER A 17 -14.421 23.817 -23.066 1.00 0.00 C ATOM 243 OG SER A 17 -14.992 24.101 -24.331 1.00 0.00 O ATOM 0 H SER A 17 -16.482 23.447 -21.066 1.00 0.00 H new ATOM 0 HA SER A 17 -15.186 21.814 -23.141 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.511 24.690 -22.419 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.356 23.615 -23.182 1.00 0.00 H new ATOM 0 HG SER A 17 -14.538 24.873 -24.729 1.00 0.00 H new ATOM 249 N TYR A 18 -13.575 21.006 -21.435 1.00 0.00 N ATOM 250 CA TYR A 18 -12.743 20.429 -20.385 1.00 0.00 C ATOM 251 C TYR A 18 -11.261 20.612 -20.692 1.00 0.00 C ATOM 252 O TYR A 18 -10.845 20.574 -21.851 1.00 0.00 O ATOM 253 CB TYR A 18 -13.054 18.940 -20.218 1.00 0.00 C ATOM 254 CG TYR A 18 -14.489 18.656 -19.843 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.515 18.837 -20.761 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.819 18.206 -18.571 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.829 18.579 -20.424 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.132 17.944 -18.225 1.00 0.00 C ATOM 259 CZ TYR A 18 -17.133 18.132 -19.155 1.00 0.00 C ATOM 260 OH TYR A 18 -18.441 17.875 -18.815 1.00 0.00 O ATOM 0 H TYR A 18 -13.570 20.486 -22.312 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.970 20.952 -19.456 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.822 18.423 -21.149 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.399 18.525 -19.452 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.281 19.186 -21.756 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.037 18.058 -17.840 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.615 18.726 -21.150 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.372 17.594 -17.232 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.509 16.974 -18.436 1.00 0.00 H new ATOM 270 N SER A 19 -10.469 20.803 -19.644 1.00 0.00 N ATOM 271 CA SER A 19 -9.030 20.984 -19.787 1.00 0.00 C ATOM 272 C SER A 19 -8.303 20.439 -18.562 1.00 0.00 C ATOM 273 O SER A 19 -8.774 20.590 -17.435 1.00 0.00 O ATOM 274 CB SER A 19 -8.693 22.464 -19.985 1.00 0.00 C ATOM 275 OG SER A 19 -7.383 22.756 -19.528 1.00 0.00 O ATOM 0 H SER A 19 -10.802 20.837 -18.680 1.00 0.00 H new ATOM 0 HA SER A 19 -8.699 20.431 -20.666 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.779 22.721 -21.041 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.414 23.079 -19.447 1.00 0.00 H new ATOM 0 HG SER A 19 -6.816 22.995 -20.291 1.00 0.00 H new ATOM 281 N LEU A 20 -7.159 19.802 -18.785 1.00 0.00 N ATOM 282 CA LEU A 20 -6.384 19.235 -17.686 1.00 0.00 C ATOM 283 C LEU A 20 -5.403 20.257 -17.124 1.00 0.00 C ATOM 284 O LEU A 20 -4.823 21.049 -17.866 1.00 0.00 O ATOM 285 CB LEU A 20 -5.617 17.981 -18.130 1.00 0.00 C ATOM 286 CG LEU A 20 -5.953 17.450 -19.526 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.158 16.187 -19.818 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.443 17.182 -19.649 1.00 0.00 C ATOM 0 H LEU A 20 -6.749 19.665 -19.709 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.092 18.954 -16.907 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.550 18.200 -18.093 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.805 17.188 -17.406 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.679 18.208 -20.260 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.408 15.822 -20.814 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.092 16.409 -19.770 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.403 15.424 -19.080 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.664 16.805 -20.648 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.742 16.441 -18.907 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.994 18.107 -19.480 1.00 0.00 H new ATOM 300 N ARG A 21 -5.218 20.227 -15.811 1.00 0.00 N ATOM 301 CA ARG A 21 -4.301 21.143 -15.146 1.00 0.00 C ATOM 302 C ARG A 21 -3.188 20.371 -14.450 1.00 0.00 C ATOM 303 O ARG A 21 -3.407 19.735 -13.419 1.00 0.00 O ATOM 304 CB ARG A 21 -5.050 22.007 -14.135 1.00 0.00 C ATOM 305 CG ARG A 21 -4.377 23.341 -13.860 1.00 0.00 C ATOM 306 CD ARG A 21 -5.332 24.320 -13.200 1.00 0.00 C ATOM 307 NE ARG A 21 -4.642 25.219 -12.282 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.890 26.240 -12.679 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.731 26.485 -13.973 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.298 27.017 -11.783 1.00 0.00 N ATOM 0 H ARG A 21 -5.692 19.577 -15.184 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.857 21.792 -15.901 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.060 22.188 -14.502 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.144 21.457 -13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.510 23.187 -13.217 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.009 23.764 -14.795 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.840 24.905 -13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.100 23.768 -12.659 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.742 25.055 -11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.186 25.889 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.153 27.269 -14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.419 26.831 -10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.721 27.800 -12.089 1.00 0.00 H new ATOM 324 N TRP A 22 -1.995 20.428 -15.025 1.00 0.00 N ATOM 325 CA TRP A 22 -0.844 19.730 -14.466 1.00 0.00 C ATOM 326 C TRP A 22 0.298 20.697 -14.172 1.00 0.00 C ATOM 327 O TRP A 22 0.735 21.446 -15.046 1.00 0.00 O ATOM 328 CB TRP A 22 -0.372 18.637 -15.429 1.00 0.00 C ATOM 329 CG TRP A 22 -0.023 19.150 -16.793 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.165 19.693 -17.182 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.868 19.168 -17.947 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.112 20.046 -18.508 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.127 19.735 -19.000 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.179 18.758 -18.193 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.656 19.901 -20.277 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.701 18.925 -19.462 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.943 19.490 -20.485 1.00 0.00 C ATOM 0 H TRP A 22 -1.798 20.950 -15.879 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.151 19.272 -13.526 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.500 18.140 -15.003 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.154 17.884 -15.522 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.024 19.826 -16.540 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.872 20.471 -19.040 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.775 18.318 -17.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.072 20.338 -21.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.715 18.612 -19.664 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.382 19.606 -21.465 1.00 0.00 H new ATOM 348 N GLU A 23 0.775 20.672 -12.931 1.00 0.00 N ATOM 349 CA GLU A 23 1.869 21.540 -12.508 1.00 0.00 C ATOM 350 C GLU A 23 2.863 20.766 -11.648 1.00 0.00 C ATOM 351 O GLU A 23 2.487 20.163 -10.644 1.00 0.00 O ATOM 352 CB GLU A 23 1.324 22.739 -11.729 1.00 0.00 C ATOM 353 CG GLU A 23 1.161 23.991 -12.576 1.00 0.00 C ATOM 354 CD GLU A 23 1.028 25.248 -11.738 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.762 25.375 -10.737 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.189 26.106 -12.087 1.00 0.00 O ATOM 0 H GLU A 23 0.419 20.058 -12.198 1.00 0.00 H new ATOM 0 HA GLU A 23 2.385 21.902 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.359 22.474 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.995 22.957 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.020 24.090 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.280 23.885 -13.208 1.00 0.00 H new ATOM 363 N THR A 24 4.131 20.779 -12.048 1.00 0.00 N ATOM 364 CA THR A 24 5.166 20.066 -11.307 1.00 0.00 C ATOM 365 C THR A 24 5.745 20.922 -10.190 1.00 0.00 C ATOM 366 O THR A 24 5.368 22.078 -10.002 1.00 0.00 O ATOM 367 CB THR A 24 6.309 19.637 -12.229 1.00 0.00 C ATOM 368 OG1 THR A 24 6.863 20.759 -12.892 1.00 0.00 O ATOM 369 CG2 THR A 24 5.908 18.634 -13.288 1.00 0.00 C ATOM 0 H THR A 24 4.465 21.272 -12.876 1.00 0.00 H new ATOM 0 HA THR A 24 4.688 19.186 -10.877 1.00 0.00 H new ATOM 0 HB THR A 24 7.033 19.159 -11.569 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.744 20.659 -13.860 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.775 18.383 -13.898 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.528 17.732 -12.809 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.131 19.064 -13.921 1.00 0.00 H new ATOM 377 N MET A 25 6.686 20.327 -9.471 1.00 0.00 N ATOM 378 CA MET A 25 7.382 20.986 -8.369 1.00 0.00 C ATOM 379 C MET A 25 8.161 19.964 -7.544 1.00 0.00 C ATOM 380 O MET A 25 8.307 20.108 -6.330 1.00 0.00 O ATOM 381 CB MET A 25 6.407 21.746 -7.469 1.00 0.00 C ATOM 382 CG MET A 25 6.459 23.254 -7.654 1.00 0.00 C ATOM 383 SD MET A 25 5.107 24.106 -6.818 1.00 0.00 S ATOM 384 CE MET A 25 3.688 23.337 -7.595 1.00 0.00 C ATOM 0 H MET A 25 6.992 19.368 -9.635 1.00 0.00 H new ATOM 0 HA MET A 25 8.078 21.705 -8.801 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.394 21.398 -7.670 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.625 21.508 -6.428 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.409 23.630 -7.275 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.426 23.487 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.788 23.899 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.824 23.331 -8.676 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.588 22.313 -7.236 1.00 0.00 H new ATOM 394 N LYS A 26 8.664 18.934 -8.219 1.00 0.00 N ATOM 395 CA LYS A 26 9.433 17.886 -7.570 1.00 0.00 C ATOM 396 C LYS A 26 10.819 17.756 -8.202 1.00 0.00 C ATOM 397 O LYS A 26 11.667 17.011 -7.711 1.00 0.00 O ATOM 398 CB LYS A 26 8.675 16.557 -7.651 1.00 0.00 C ATOM 399 CG LYS A 26 8.727 15.886 -9.016 1.00 0.00 C ATOM 400 CD LYS A 26 7.643 16.419 -9.937 1.00 0.00 C ATOM 401 CE LYS A 26 8.228 16.982 -11.221 1.00 0.00 C ATOM 402 NZ LYS A 26 9.062 15.978 -11.935 1.00 0.00 N ATOM 0 H LYS A 26 8.549 18.806 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 26 9.568 18.151 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.085 15.873 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.632 16.730 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.705 16.052 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.609 14.809 -8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.942 15.619 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.077 17.196 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.420 17.314 -11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.833 17.859 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.853 16.458 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.435 15.288 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.482 15.485 -12.643 1.00 0.00 H new ATOM 416 N MET A 27 11.042 18.492 -9.288 1.00 0.00 N ATOM 417 CA MET A 27 12.316 18.473 -9.983 1.00 0.00 C ATOM 418 C MET A 27 13.131 19.701 -9.587 1.00 0.00 C ATOM 419 O MET A 27 14.327 19.602 -9.311 1.00 0.00 O ATOM 420 CB MET A 27 12.083 18.414 -11.504 1.00 0.00 C ATOM 421 CG MET A 27 11.803 19.759 -12.166 1.00 0.00 C ATOM 422 SD MET A 27 10.111 20.329 -11.901 1.00 0.00 S ATOM 423 CE MET A 27 9.263 19.536 -13.267 1.00 0.00 C ATOM 0 H MET A 27 10.347 19.112 -9.704 1.00 0.00 H new ATOM 0 HA MET A 27 12.880 17.585 -9.699 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.961 17.971 -11.974 1.00 0.00 H new ATOM 0 HB3 MET A 27 11.244 17.747 -11.702 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.498 20.503 -11.776 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.991 19.678 -13.237 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.883 20.296 -13.950 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.958 18.886 -13.798 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.432 18.944 -12.885 1.00 0.00 H new ATOM 433 N ARG A 28 12.446 20.848 -9.537 1.00 0.00 N ATOM 434 CA ARG A 28 13.041 22.134 -9.150 1.00 0.00 C ATOM 435 C ARG A 28 14.535 22.212 -9.482 1.00 0.00 C ATOM 436 O ARG A 28 15.324 22.749 -8.703 1.00 0.00 O ATOM 437 CB ARG A 28 12.826 22.386 -7.650 1.00 0.00 C ATOM 438 CG ARG A 28 11.552 21.762 -7.079 1.00 0.00 C ATOM 439 CD ARG A 28 11.720 21.404 -5.610 1.00 0.00 C ATOM 440 NE ARG A 28 11.285 22.484 -4.729 1.00 0.00 N ATOM 441 CZ ARG A 28 11.601 22.554 -3.440 1.00 0.00 C ATOM 442 NH1 ARG A 28 12.358 21.616 -2.887 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.160 23.565 -2.703 1.00 0.00 N ATOM 0 H ARG A 28 11.454 20.912 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 28 12.538 22.907 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.684 21.996 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.799 23.462 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.721 22.458 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.297 20.867 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.147 20.503 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.767 21.173 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 28 10.707 23.225 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.700 20.838 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.599 21.673 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.578 24.289 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.402 23.619 -1.714 1.00 0.00 H new ATOM 457 N TYR A 29 14.914 21.673 -10.637 1.00 0.00 N ATOM 458 CA TYR A 29 16.310 21.679 -11.064 1.00 0.00 C ATOM 459 C TYR A 29 16.828 23.110 -11.220 1.00 0.00 C ATOM 460 O TYR A 29 17.364 23.690 -10.275 1.00 0.00 O ATOM 461 CB TYR A 29 16.466 20.909 -12.378 1.00 0.00 C ATOM 462 CG TYR A 29 16.564 19.410 -12.198 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.645 18.839 -11.538 1.00 0.00 C ATOM 464 CD2 TYR A 29 15.577 18.566 -12.691 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.738 17.470 -11.372 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.664 17.195 -12.530 1.00 0.00 C ATOM 467 CZ TYR A 29 16.746 16.654 -11.870 1.00 0.00 C ATOM 468 OH TYR A 29 16.834 15.291 -11.708 1.00 0.00 O ATOM 0 H TYR A 29 14.274 21.227 -11.294 1.00 0.00 H new ATOM 0 HA TYR A 29 16.904 21.186 -10.295 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.617 21.134 -13.023 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.359 21.263 -12.892 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.426 19.475 -11.148 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.728 18.987 -13.208 1.00 0.00 H new ATOM 0 HE1 TYR A 29 18.584 17.042 -10.855 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.888 16.552 -12.919 1.00 0.00 H new ATOM 0 HH TYR A 29 16.053 14.862 -12.116 1.00 0.00 H new ATOM 478 N GLU A 30 16.664 23.677 -12.414 1.00 0.00 N ATOM 479 CA GLU A 30 17.113 25.039 -12.685 1.00 0.00 C ATOM 480 C GLU A 30 16.170 25.717 -13.671 1.00 0.00 C ATOM 481 O GLU A 30 15.389 26.593 -13.300 1.00 0.00 O ATOM 482 CB GLU A 30 18.536 25.030 -13.244 1.00 0.00 C ATOM 483 CG GLU A 30 19.524 25.821 -12.403 1.00 0.00 C ATOM 484 CD GLU A 30 20.591 24.945 -11.777 1.00 0.00 C ATOM 485 OE1 GLU A 30 20.256 24.169 -10.857 1.00 0.00 O ATOM 486 OE2 GLU A 30 21.761 25.034 -12.208 1.00 0.00 O ATOM 0 H GLU A 30 16.223 23.213 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 30 17.108 25.598 -11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.881 23.999 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.523 25.438 -14.255 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.000 26.578 -13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.985 26.348 -11.616 1.00 0.00 H new ATOM 493 N HIS A 31 16.240 25.292 -14.926 1.00 0.00 N ATOM 494 CA HIS A 31 15.384 25.835 -15.972 1.00 0.00 C ATOM 495 C HIS A 31 14.614 24.709 -16.647 1.00 0.00 C ATOM 496 O HIS A 31 13.493 24.387 -16.255 1.00 0.00 O ATOM 497 CB HIS A 31 16.212 26.612 -17.000 1.00 0.00 C ATOM 498 CG HIS A 31 16.612 27.981 -16.545 1.00 0.00 C ATOM 499 ND1 HIS A 31 15.705 28.926 -16.111 1.00 0.00 N ATOM 500 CD2 HIS A 31 17.830 28.565 -16.461 1.00 0.00 C ATOM 501 CE1 HIS A 31 16.349 30.031 -15.780 1.00 0.00 C ATOM 502 NE2 HIS A 31 17.638 29.838 -15.983 1.00 0.00 N ATOM 0 H HIS A 31 16.885 24.569 -15.245 1.00 0.00 H new ATOM 0 HA HIS A 31 14.673 26.526 -15.519 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.110 26.041 -17.235 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.639 26.699 -17.923 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.776 28.114 -16.721 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.897 30.938 -15.407 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.374 30.524 -15.812 1.00 0.00 H new ATOM 511 N ILE A 32 15.238 24.099 -17.644 1.00 0.00 N ATOM 512 CA ILE A 32 14.635 22.986 -18.369 1.00 0.00 C ATOM 513 C ILE A 32 13.293 23.373 -18.990 1.00 0.00 C ATOM 514 O ILE A 32 12.565 24.210 -18.459 1.00 0.00 O ATOM 515 CB ILE A 32 14.434 21.769 -17.445 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.623 21.627 -16.488 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.251 20.501 -18.266 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.585 20.370 -15.648 1.00 0.00 C ATOM 0 H ILE A 32 16.168 24.357 -17.972 1.00 0.00 H new ATOM 0 HA ILE A 32 15.326 22.723 -19.170 1.00 0.00 H new ATOM 0 HB ILE A 32 13.532 21.926 -16.854 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.546 21.638 -17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.651 22.493 -15.827 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.110 19.652 -17.597 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.376 20.606 -18.908 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.135 20.335 -18.882 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.459 20.341 -14.997 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.680 20.365 -15.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.589 19.496 -16.300 1.00 0.00 H new ATOM 530 N ASP A 33 12.977 22.756 -20.124 1.00 0.00 N ATOM 531 CA ASP A 33 11.727 23.029 -20.823 1.00 0.00 C ATOM 532 C ASP A 33 10.620 22.095 -20.339 1.00 0.00 C ATOM 533 O ASP A 33 9.446 22.466 -20.310 1.00 0.00 O ATOM 534 CB ASP A 33 11.924 22.871 -22.333 1.00 0.00 C ATOM 535 CG ASP A 33 11.358 24.037 -23.116 1.00 0.00 C ATOM 536 OD1 ASP A 33 11.091 25.092 -22.502 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.183 23.897 -24.345 1.00 0.00 O ATOM 0 H ASP A 33 13.571 22.062 -20.579 1.00 0.00 H new ATOM 0 HA ASP A 33 11.430 24.055 -20.607 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.988 22.774 -22.549 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.446 21.949 -22.664 1.00 0.00 H new ATOM 542 N HIS A 34 11.008 20.883 -19.959 1.00 0.00 N ATOM 543 CA HIS A 34 10.063 19.880 -19.471 1.00 0.00 C ATOM 544 C HIS A 34 8.828 19.793 -20.361 1.00 0.00 C ATOM 545 O HIS A 34 7.905 20.598 -20.240 1.00 0.00 O ATOM 546 CB HIS A 34 9.638 20.186 -18.032 1.00 0.00 C ATOM 547 CG HIS A 34 10.661 19.801 -17.011 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.549 20.700 -16.459 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.931 18.606 -16.436 1.00 0.00 C ATOM 550 CE1 HIS A 34 12.321 20.073 -15.589 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.966 18.802 -15.557 1.00 0.00 N ATOM 0 H HIS A 34 11.978 20.568 -19.979 1.00 0.00 H new ATOM 0 HA HIS A 34 10.575 18.918 -19.497 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.431 21.252 -17.942 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.707 19.661 -17.817 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.602 21.693 -16.686 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.426 17.672 -16.633 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.109 20.524 -15.004 1.00 0.00 H new ATOM 560 N THR A 35 8.810 18.799 -21.242 1.00 0.00 N ATOM 561 CA THR A 35 7.677 18.596 -22.136 1.00 0.00 C ATOM 562 C THR A 35 6.575 17.833 -21.410 1.00 0.00 C ATOM 563 O THR A 35 6.737 17.464 -20.246 1.00 0.00 O ATOM 564 CB THR A 35 8.112 17.831 -23.387 1.00 0.00 C ATOM 565 OG1 THR A 35 8.903 16.708 -23.039 1.00 0.00 O ATOM 566 CG2 THR A 35 8.913 18.673 -24.357 1.00 0.00 C ATOM 0 H THR A 35 9.565 18.123 -21.356 1.00 0.00 H new ATOM 0 HA THR A 35 7.294 19.569 -22.443 1.00 0.00 H new ATOM 0 HB THR A 35 7.186 17.527 -23.875 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.399 15.886 -23.213 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.189 18.069 -25.221 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.312 19.521 -24.684 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.815 19.036 -23.865 1.00 0.00 H new ATOM 574 N PHE A 36 5.457 17.597 -22.085 1.00 0.00 N ATOM 575 CA PHE A 36 4.353 16.877 -21.463 1.00 0.00 C ATOM 576 C PHE A 36 3.561 16.063 -22.481 1.00 0.00 C ATOM 577 O PHE A 36 3.083 16.594 -23.485 1.00 0.00 O ATOM 578 CB PHE A 36 3.424 17.852 -20.739 1.00 0.00 C ATOM 579 CG PHE A 36 4.108 18.638 -19.659 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.265 18.108 -18.389 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.593 19.910 -19.914 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.894 18.834 -17.393 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.222 20.640 -18.925 1.00 0.00 C ATOM 584 CZ PHE A 36 5.372 20.101 -17.662 1.00 0.00 C ATOM 0 H PHE A 36 5.291 17.888 -23.048 1.00 0.00 H new ATOM 0 HA PHE A 36 4.782 16.182 -20.741 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.997 18.543 -21.466 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.594 17.296 -20.303 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.892 17.117 -18.174 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.478 20.337 -20.899 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.011 18.410 -16.407 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.596 21.630 -19.138 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.863 20.670 -16.886 1.00 0.00 H new ATOM 594 N GLU A 37 3.416 14.770 -22.204 1.00 0.00 N ATOM 595 CA GLU A 37 2.671 13.874 -23.079 1.00 0.00 C ATOM 596 C GLU A 37 1.295 13.584 -22.489 1.00 0.00 C ATOM 597 O GLU A 37 1.156 12.760 -21.585 1.00 0.00 O ATOM 598 CB GLU A 37 3.441 12.568 -23.283 1.00 0.00 C ATOM 599 CG GLU A 37 3.568 12.161 -24.742 1.00 0.00 C ATOM 600 CD GLU A 37 4.567 11.039 -24.952 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.321 10.731 -24.005 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.598 10.471 -26.063 1.00 0.00 O ATOM 0 H GLU A 37 3.807 14.319 -21.377 1.00 0.00 H new ATOM 0 HA GLU A 37 2.544 14.360 -24.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.438 12.673 -22.855 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.940 11.771 -22.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.592 11.848 -25.114 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.871 13.027 -25.331 1.00 0.00 H new ATOM 609 N ILE A 38 0.283 14.281 -22.996 1.00 0.00 N ATOM 610 CA ILE A 38 -1.082 14.115 -22.509 1.00 0.00 C ATOM 611 C ILE A 38 -1.836 13.041 -23.291 1.00 0.00 C ATOM 612 O ILE A 38 -1.575 12.812 -24.472 1.00 0.00 O ATOM 613 CB ILE A 38 -1.862 15.449 -22.584 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.239 16.483 -21.644 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.332 15.245 -22.236 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.177 16.870 -22.010 1.00 0.00 C ATOM 0 H ILE A 38 0.383 14.967 -23.745 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.010 13.797 -21.469 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.801 15.817 -23.608 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.861 17.378 -21.641 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.246 16.087 -20.628 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.856 16.199 -22.297 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.778 14.541 -22.938 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.415 14.849 -21.224 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.549 17.606 -21.297 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.814 15.986 -21.984 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.190 17.297 -23.013 1.00 0.00 H new ATOM 628 N GLN A 39 -2.782 12.396 -22.614 1.00 0.00 N ATOM 629 CA GLN A 39 -3.599 11.353 -23.223 1.00 0.00 C ATOM 630 C GLN A 39 -4.971 11.301 -22.558 1.00 0.00 C ATOM 631 O GLN A 39 -5.076 11.367 -21.333 1.00 0.00 O ATOM 632 CB GLN A 39 -2.909 9.994 -23.099 1.00 0.00 C ATOM 633 CG GLN A 39 -3.402 8.968 -24.108 1.00 0.00 C ATOM 634 CD GLN A 39 -2.561 7.706 -24.120 1.00 0.00 C ATOM 635 OE1 GLN A 39 -3.088 6.596 -24.045 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.247 7.869 -24.216 1.00 0.00 N ATOM 0 H GLN A 39 -3.002 12.580 -21.635 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.726 11.588 -24.280 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.835 10.128 -23.225 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.066 9.606 -22.092 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.436 8.708 -23.880 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.397 9.412 -25.103 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.853 8.808 -24.276 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.632 7.055 -24.230 1.00 0.00 H new ATOM 645 N TYR A 40 -6.024 11.183 -23.362 1.00 0.00 N ATOM 646 CA TYR A 40 -7.378 11.125 -22.822 1.00 0.00 C ATOM 647 C TYR A 40 -8.120 9.883 -23.305 1.00 0.00 C ATOM 648 O TYR A 40 -8.627 9.839 -24.426 1.00 0.00 O ATOM 649 CB TYR A 40 -8.173 12.389 -23.178 1.00 0.00 C ATOM 650 CG TYR A 40 -8.085 12.803 -24.632 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.872 13.174 -25.198 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.221 12.834 -25.434 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.791 13.560 -26.522 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.146 13.220 -26.760 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.930 13.582 -27.298 1.00 0.00 C ATOM 656 OH TYR A 40 -7.853 13.967 -28.617 1.00 0.00 O ATOM 0 H TYR A 40 -5.967 11.126 -24.379 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.288 11.067 -21.737 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.220 12.227 -22.923 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.818 13.212 -22.558 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.977 13.160 -24.593 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.176 12.552 -25.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.839 13.843 -26.947 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.036 13.238 -27.371 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.123 14.612 -28.728 1.00 0.00 H new ATOM 666 N ARG A 41 -8.195 8.885 -22.429 1.00 0.00 N ATOM 667 CA ARG A 41 -8.890 7.640 -22.726 1.00 0.00 C ATOM 668 C ARG A 41 -10.324 7.740 -22.231 1.00 0.00 C ATOM 669 O ARG A 41 -10.662 8.662 -21.493 1.00 0.00 O ATOM 670 CB ARG A 41 -8.178 6.456 -22.049 1.00 0.00 C ATOM 671 CG ARG A 41 -8.983 5.165 -22.060 1.00 0.00 C ATOM 672 CD ARG A 41 -8.197 3.994 -21.497 1.00 0.00 C ATOM 673 NE ARG A 41 -8.357 3.877 -20.051 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.405 3.301 -19.472 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.380 2.793 -20.214 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.481 3.235 -18.150 1.00 0.00 N ATOM 0 H ARG A 41 -7.778 8.917 -21.499 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.886 7.472 -23.803 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.225 6.283 -22.550 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.952 6.723 -21.017 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.894 5.302 -21.478 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.288 4.938 -23.081 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.527 3.072 -21.975 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.141 4.117 -21.737 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.624 4.258 -19.452 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.326 2.844 -21.231 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.184 2.351 -19.767 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.734 3.627 -17.576 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.286 2.793 -17.707 1.00 0.00 H new ATOM 690 N LYS A 42 -11.168 6.804 -22.635 1.00 0.00 N ATOM 691 CA LYS A 42 -12.555 6.829 -22.207 1.00 0.00 C ATOM 692 C LYS A 42 -12.972 5.490 -21.623 1.00 0.00 C ATOM 693 O LYS A 42 -12.279 4.484 -21.781 1.00 0.00 O ATOM 694 CB LYS A 42 -13.476 7.211 -23.369 1.00 0.00 C ATOM 695 CG LYS A 42 -12.827 8.160 -24.360 1.00 0.00 C ATOM 696 CD LYS A 42 -13.821 8.658 -25.394 1.00 0.00 C ATOM 697 CE LYS A 42 -13.986 7.661 -26.529 1.00 0.00 C ATOM 698 NZ LYS A 42 -15.207 7.933 -27.337 1.00 0.00 N ATOM 0 H LYS A 42 -10.921 6.029 -23.250 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.647 7.585 -21.427 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.785 6.306 -23.892 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.379 7.673 -22.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.402 9.009 -23.825 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.002 7.654 -24.862 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.786 8.833 -24.918 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.484 9.614 -25.794 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.108 7.698 -27.174 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.039 6.652 -26.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.337 7.173 -28.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.036 7.973 -26.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.101 8.842 -27.830 1.00 0.00 H new ATOM 712 N ASP A 43 -14.109 5.489 -20.945 1.00 0.00 N ATOM 713 CA ASP A 43 -14.635 4.284 -20.324 1.00 0.00 C ATOM 714 C ASP A 43 -15.229 3.329 -21.370 1.00 0.00 C ATOM 715 O ASP A 43 -15.691 2.241 -21.028 1.00 0.00 O ATOM 716 CB ASP A 43 -15.683 4.675 -19.273 1.00 0.00 C ATOM 717 CG ASP A 43 -16.557 3.515 -18.830 1.00 0.00 C ATOM 718 OD1 ASP A 43 -16.020 2.568 -18.217 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.777 3.556 -19.094 1.00 0.00 O ATOM 0 H ASP A 43 -14.689 6.317 -20.810 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.819 3.752 -19.836 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.176 5.091 -18.402 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.317 5.463 -19.679 1.00 0.00 H new ATOM 724 N THR A 44 -15.211 3.734 -22.642 1.00 0.00 N ATOM 725 CA THR A 44 -15.742 2.902 -23.715 1.00 0.00 C ATOM 726 C THR A 44 -14.625 2.411 -24.635 1.00 0.00 C ATOM 727 O THR A 44 -14.781 1.409 -25.332 1.00 0.00 O ATOM 728 CB THR A 44 -16.779 3.681 -24.528 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.463 2.821 -25.421 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.177 4.804 -25.343 1.00 0.00 C ATOM 0 H THR A 44 -14.835 4.631 -22.950 1.00 0.00 H new ATOM 0 HA THR A 44 -16.220 2.034 -23.260 1.00 0.00 H new ATOM 0 HB THR A 44 -17.460 4.111 -23.794 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.123 3.336 -25.931 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.965 5.316 -25.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.682 5.511 -24.678 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.449 4.395 -26.044 1.00 0.00 H new ATOM 738 N ALA A 45 -13.501 3.126 -24.637 1.00 0.00 N ATOM 739 CA ALA A 45 -12.365 2.761 -25.478 1.00 0.00 C ATOM 740 C ALA A 45 -11.126 2.453 -24.640 1.00 0.00 C ATOM 741 O ALA A 45 -11.189 2.405 -23.412 1.00 0.00 O ATOM 742 CB ALA A 45 -12.065 3.873 -26.471 1.00 0.00 C ATOM 0 H ALA A 45 -13.354 3.959 -24.067 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.632 1.857 -26.025 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.216 3.587 -27.092 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.937 4.041 -27.104 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.827 4.789 -25.930 1.00 0.00 H new ATOM 748 N THR A 46 -9.999 2.244 -25.318 1.00 0.00 N ATOM 749 CA THR A 46 -8.742 1.936 -24.643 1.00 0.00 C ATOM 750 C THR A 46 -7.683 2.997 -24.940 1.00 0.00 C ATOM 751 O THR A 46 -7.815 3.774 -25.886 1.00 0.00 O ATOM 752 CB THR A 46 -8.234 0.560 -25.076 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.997 0.063 -26.161 1.00 0.00 O ATOM 754 CG2 THR A 46 -8.283 -0.472 -23.971 1.00 0.00 C ATOM 0 H THR A 46 -9.932 2.283 -26.335 1.00 0.00 H new ATOM 0 HA THR A 46 -8.929 1.930 -23.569 1.00 0.00 H new ATOM 0 HB THR A 46 -7.193 0.714 -25.361 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.656 -0.817 -26.425 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.909 -1.425 -24.346 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.664 -0.142 -23.137 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.312 -0.594 -23.633 1.00 0.00 H new ATOM 762 N TRP A 47 -6.633 3.021 -24.122 1.00 0.00 N ATOM 763 CA TRP A 47 -5.547 3.981 -24.286 1.00 0.00 C ATOM 764 C TRP A 47 -5.068 4.029 -25.735 1.00 0.00 C ATOM 765 O TRP A 47 -4.688 5.087 -26.238 1.00 0.00 O ATOM 766 CB TRP A 47 -4.389 3.632 -23.349 1.00 0.00 C ATOM 767 CG TRP A 47 -4.744 3.801 -21.904 1.00 0.00 C ATOM 768 CD1 TRP A 47 -4.908 2.811 -20.978 1.00 0.00 C ATOM 769 CD2 TRP A 47 -4.994 5.035 -21.221 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.250 3.354 -19.763 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.308 4.718 -19.888 1.00 0.00 C ATOM 772 CE3 TRP A 47 -4.984 6.379 -21.610 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.612 5.694 -18.942 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.285 7.346 -20.668 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.595 6.999 -19.349 1.00 0.00 C ATOM 0 H TRP A 47 -6.512 2.383 -23.336 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.924 4.970 -24.027 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.082 2.601 -23.525 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.533 4.264 -23.585 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.787 1.756 -21.172 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.431 2.828 -18.908 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.746 6.656 -22.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.853 5.429 -17.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.281 8.387 -20.956 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.826 7.778 -18.637 1.00 0.00 H new ATOM 786 N LYS A 48 -5.096 2.880 -26.403 1.00 0.00 N ATOM 787 CA LYS A 48 -4.672 2.797 -27.797 1.00 0.00 C ATOM 788 C LYS A 48 -5.508 3.731 -28.666 1.00 0.00 C ATOM 789 O LYS A 48 -5.002 4.345 -29.605 1.00 0.00 O ATOM 790 CB LYS A 48 -4.796 1.360 -28.304 1.00 0.00 C ATOM 791 CG LYS A 48 -3.649 0.464 -27.874 1.00 0.00 C ATOM 792 CD LYS A 48 -3.585 -0.798 -28.715 1.00 0.00 C ATOM 793 CE LYS A 48 -2.916 -1.936 -27.962 1.00 0.00 C ATOM 794 NZ LYS A 48 -1.708 -2.439 -28.670 1.00 0.00 N ATOM 0 H LYS A 48 -5.407 1.995 -26.003 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.628 3.104 -27.858 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.733 0.936 -27.943 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.849 1.371 -29.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.709 1.008 -27.960 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.768 0.197 -26.824 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.593 -1.095 -29.005 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.036 -0.596 -29.635 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.636 -1.596 -26.965 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.627 -2.752 -27.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.282 -3.214 -28.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.978 -2.788 -29.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.018 -1.667 -28.771 1.00 0.00 H new ATOM 808 N ASP A 49 -6.789 3.835 -28.333 1.00 0.00 N ATOM 809 CA ASP A 49 -7.710 4.697 -29.065 1.00 0.00 C ATOM 810 C ASP A 49 -7.550 6.147 -28.625 1.00 0.00 C ATOM 811 O ASP A 49 -7.807 7.078 -29.388 1.00 0.00 O ATOM 812 CB ASP A 49 -9.152 4.250 -28.822 1.00 0.00 C ATOM 813 CG ASP A 49 -10.123 4.851 -29.819 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.714 5.762 -30.569 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.292 4.413 -29.849 1.00 0.00 O ATOM 0 H ASP A 49 -7.216 3.330 -27.556 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.479 4.621 -30.127 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.206 3.163 -28.878 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.451 4.533 -27.813 1.00 0.00 H new ATOM 820 N SER A 50 -7.133 6.320 -27.379 1.00 0.00 N ATOM 821 CA SER A 50 -6.940 7.641 -26.802 1.00 0.00 C ATOM 822 C SER A 50 -5.912 8.454 -27.581 1.00 0.00 C ATOM 823 O SER A 50 -4.877 7.933 -27.997 1.00 0.00 O ATOM 824 CB SER A 50 -6.506 7.495 -25.344 1.00 0.00 C ATOM 825 OG SER A 50 -7.247 6.475 -24.697 1.00 0.00 O ATOM 0 H SER A 50 -6.920 5.552 -26.743 1.00 0.00 H new ATOM 0 HA SER A 50 -7.886 8.180 -26.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.442 7.262 -25.298 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.648 8.441 -24.821 1.00 0.00 H new ATOM 0 HG SER A 50 -8.109 6.359 -25.149 1.00 0.00 H new ATOM 831 N LYS A 51 -6.208 9.736 -27.769 1.00 0.00 N ATOM 832 CA LYS A 51 -5.317 10.634 -28.492 1.00 0.00 C ATOM 833 C LYS A 51 -4.191 11.119 -27.586 1.00 0.00 C ATOM 834 O LYS A 51 -4.395 11.351 -26.393 1.00 0.00 O ATOM 835 CB LYS A 51 -6.099 11.828 -29.039 1.00 0.00 C ATOM 836 CG LYS A 51 -6.121 11.900 -30.558 1.00 0.00 C ATOM 837 CD LYS A 51 -5.856 13.312 -31.053 1.00 0.00 C ATOM 838 CE LYS A 51 -4.726 13.345 -32.071 1.00 0.00 C ATOM 839 NZ LYS A 51 -5.090 12.644 -33.333 1.00 0.00 N ATOM 0 H LYS A 51 -7.062 10.177 -27.429 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.880 10.085 -29.326 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.124 11.779 -28.671 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.663 12.747 -28.647 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.370 11.223 -30.966 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.089 11.560 -30.925 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.763 13.717 -31.502 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.604 13.953 -30.208 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.469 14.381 -32.293 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.838 12.881 -31.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.292 12.690 -33.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.311 11.649 -33.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.922 13.102 -33.757 1.00 0.00 H new ATOM 853 N THR A 52 -3.004 11.266 -28.160 1.00 0.00 N ATOM 854 CA THR A 52 -1.842 11.720 -27.408 1.00 0.00 C ATOM 855 C THR A 52 -1.537 13.184 -27.704 1.00 0.00 C ATOM 856 O THR A 52 -1.075 13.523 -28.793 1.00 0.00 O ATOM 857 CB THR A 52 -0.627 10.854 -27.749 1.00 0.00 C ATOM 858 OG1 THR A 52 -0.820 9.523 -27.305 1.00 0.00 O ATOM 859 CG2 THR A 52 0.664 11.357 -27.137 1.00 0.00 C ATOM 0 H THR A 52 -2.821 11.077 -29.145 1.00 0.00 H new ATOM 0 HA THR A 52 -2.065 11.626 -26.345 1.00 0.00 H new ATOM 0 HB THR A 52 -0.537 10.902 -28.834 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.034 8.985 -27.533 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.483 10.696 -27.420 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.870 12.364 -27.499 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.570 11.373 -26.051 1.00 0.00 H new ATOM 867 N GLU A 53 -1.793 14.049 -26.727 1.00 0.00 N ATOM 868 CA GLU A 53 -1.535 15.475 -26.889 1.00 0.00 C ATOM 869 C GLU A 53 -0.086 15.794 -26.559 1.00 0.00 C ATOM 870 O GLU A 53 0.442 15.352 -25.537 1.00 0.00 O ATOM 871 CB GLU A 53 -2.470 16.298 -26.003 1.00 0.00 C ATOM 872 CG GLU A 53 -3.526 17.058 -26.789 1.00 0.00 C ATOM 873 CD GLU A 53 -3.126 18.493 -27.071 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.910 18.772 -27.124 1.00 0.00 O ATOM 875 OE2 GLU A 53 -4.030 19.338 -27.240 1.00 0.00 O ATOM 0 H GLU A 53 -2.177 13.788 -25.819 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.724 15.738 -27.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.963 15.635 -25.292 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.879 17.006 -25.422 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.710 16.544 -27.733 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.463 17.049 -26.233 1.00 0.00 H new ATOM 882 N THR A 54 0.554 16.559 -27.430 1.00 0.00 N ATOM 883 CA THR A 54 1.946 16.933 -27.235 1.00 0.00 C ATOM 884 C THR A 54 2.055 18.361 -26.715 1.00 0.00 C ATOM 885 O THR A 54 2.221 19.306 -27.485 1.00 0.00 O ATOM 886 CB THR A 54 2.725 16.784 -28.540 1.00 0.00 C ATOM 887 OG1 THR A 54 1.846 16.776 -29.651 1.00 0.00 O ATOM 888 CG2 THR A 54 3.549 15.518 -28.596 1.00 0.00 C ATOM 0 H THR A 54 0.131 16.933 -28.279 1.00 0.00 H new ATOM 0 HA THR A 54 2.377 16.263 -26.491 1.00 0.00 H new ATOM 0 HB THR A 54 3.398 17.641 -28.578 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.364 16.681 -30.477 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.079 15.470 -29.547 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.270 15.517 -27.779 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.893 14.653 -28.502 1.00 0.00 H new ATOM 896 N LEU A 55 1.957 18.505 -25.400 1.00 0.00 N ATOM 897 CA LEU A 55 2.041 19.812 -24.762 1.00 0.00 C ATOM 898 C LEU A 55 3.493 20.197 -24.503 1.00 0.00 C ATOM 899 O LEU A 55 4.147 19.643 -23.620 1.00 0.00 O ATOM 900 CB LEU A 55 1.248 19.803 -23.449 1.00 0.00 C ATOM 901 CG LEU A 55 -0.229 20.217 -23.555 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.382 21.700 -23.258 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.812 19.885 -24.924 1.00 0.00 C ATOM 0 H LEU A 55 1.819 17.729 -24.752 1.00 0.00 H new ATOM 0 HA LEU A 55 1.610 20.555 -25.433 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.295 18.800 -23.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.743 20.470 -22.743 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.788 19.646 -22.814 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.432 21.980 -23.336 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.025 21.908 -22.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.202 22.277 -23.975 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.857 20.193 -24.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.252 20.413 -25.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.744 18.811 -25.098 1.00 0.00 H new ATOM 915 N GLN A 56 3.994 21.147 -25.288 1.00 0.00 N ATOM 916 CA GLN A 56 5.373 21.603 -25.155 1.00 0.00 C ATOM 917 C GLN A 56 5.514 22.614 -24.019 1.00 0.00 C ATOM 918 O GLN A 56 5.022 23.739 -24.105 1.00 0.00 O ATOM 919 CB GLN A 56 5.856 22.201 -26.485 1.00 0.00 C ATOM 920 CG GLN A 56 7.066 23.118 -26.373 1.00 0.00 C ATOM 921 CD GLN A 56 8.014 22.980 -27.547 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.664 23.303 -28.683 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.222 22.497 -27.280 1.00 0.00 N ATOM 0 H GLN A 56 3.465 21.616 -26.023 1.00 0.00 H new ATOM 0 HA GLN A 56 5.999 20.745 -24.907 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.098 21.386 -27.167 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.035 22.760 -26.935 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.728 24.152 -26.304 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.602 22.895 -25.450 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.469 22.242 -26.324 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.902 22.381 -28.031 1.00 0.00 H new ATOM 932 N ASN A 57 6.201 22.197 -22.960 1.00 0.00 N ATOM 933 CA ASN A 57 6.434 23.051 -21.796 1.00 0.00 C ATOM 934 C ASN A 57 5.153 23.759 -21.363 1.00 0.00 C ATOM 935 O ASN A 57 5.167 24.949 -21.049 1.00 0.00 O ATOM 936 CB ASN A 57 7.533 24.093 -22.074 1.00 0.00 C ATOM 937 CG ASN A 57 8.344 23.817 -23.332 1.00 0.00 C ATOM 938 OD1 ASN A 57 8.627 24.728 -24.111 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.720 22.559 -23.539 1.00 0.00 N ATOM 0 H ASN A 57 6.610 21.266 -22.882 1.00 0.00 H new ATOM 0 HA ASN A 57 6.767 22.401 -20.987 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.073 25.077 -22.160 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.209 24.130 -21.219 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.264 22.319 -24.368 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.465 21.834 -22.869 1.00 0.00 H new ATOM 946 N ALA A 58 4.050 23.019 -21.344 1.00 0.00 N ATOM 947 CA ALA A 58 2.764 23.577 -20.943 1.00 0.00 C ATOM 948 C ALA A 58 2.261 22.921 -19.662 1.00 0.00 C ATOM 949 O ALA A 58 2.762 21.874 -19.252 1.00 0.00 O ATOM 950 CB ALA A 58 1.745 23.410 -22.060 1.00 0.00 C ATOM 0 H ALA A 58 4.021 22.032 -21.601 1.00 0.00 H new ATOM 0 HA ALA A 58 2.900 24.641 -20.748 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.790 23.831 -21.747 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.095 23.929 -22.952 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.619 22.350 -22.282 1.00 0.00 H new ATOM 956 N HIS A 59 1.268 23.542 -19.032 1.00 0.00 N ATOM 957 CA HIS A 59 0.701 23.015 -17.794 1.00 0.00 C ATOM 958 C HIS A 59 -0.780 22.666 -17.959 1.00 0.00 C ATOM 959 O HIS A 59 -1.471 22.397 -16.975 1.00 0.00 O ATOM 960 CB HIS A 59 0.871 24.030 -16.662 1.00 0.00 C ATOM 961 CG HIS A 59 2.210 23.969 -15.995 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.733 25.013 -15.260 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.136 22.981 -15.951 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.921 24.671 -14.795 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.188 23.445 -15.199 1.00 0.00 N ATOM 0 H HIS A 59 0.840 24.409 -19.357 1.00 0.00 H new ATOM 0 HA HIS A 59 1.239 22.100 -17.546 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.718 25.033 -17.060 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.095 23.862 -15.915 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.061 22.011 -16.419 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.564 25.290 -14.187 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.039 22.924 -14.987 1.00 0.00 H new ATOM 974 N SER A 60 -1.263 22.664 -19.200 1.00 0.00 N ATOM 975 CA SER A 60 -2.660 22.340 -19.474 1.00 0.00 C ATOM 976 C SER A 60 -2.959 22.437 -20.964 1.00 0.00 C ATOM 977 O SER A 60 -2.204 23.051 -21.719 1.00 0.00 O ATOM 978 CB SER A 60 -3.590 23.273 -18.698 1.00 0.00 C ATOM 979 OG SER A 60 -3.367 24.627 -19.053 1.00 0.00 O ATOM 0 H SER A 60 -0.709 22.882 -20.028 1.00 0.00 H new ATOM 0 HA SER A 60 -2.834 21.314 -19.150 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.628 23.007 -18.900 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.430 23.143 -17.628 1.00 0.00 H new ATOM 0 HG SER A 60 -3.975 25.203 -18.544 1.00 0.00 H new ATOM 985 N MET A 61 -4.065 21.829 -21.384 1.00 0.00 N ATOM 986 CA MET A 61 -4.462 21.850 -22.785 1.00 0.00 C ATOM 987 C MET A 61 -5.947 22.177 -22.917 1.00 0.00 C ATOM 988 O MET A 61 -6.547 22.753 -22.009 1.00 0.00 O ATOM 989 CB MET A 61 -4.154 20.500 -23.440 1.00 0.00 C ATOM 990 CG MET A 61 -5.117 19.392 -23.043 1.00 0.00 C ATOM 991 SD MET A 61 -4.657 17.791 -23.733 1.00 0.00 S ATOM 992 CE MET A 61 -6.237 16.946 -23.722 1.00 0.00 C ATOM 0 H MET A 61 -4.701 21.316 -20.773 1.00 0.00 H new ATOM 0 HA MET A 61 -3.893 22.627 -23.296 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.178 20.618 -24.523 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.140 20.200 -23.174 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.152 19.318 -21.956 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.121 19.652 -23.377 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.145 15.996 -24.249 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.544 16.761 -22.692 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.984 17.566 -24.218 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.536 21.804 -24.047 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.949 22.053 -24.285 1.00 0.00 C ATOM 1004 C ALA A 62 -8.590 20.885 -25.024 1.00 0.00 C ATOM 1005 O ALA A 62 -8.782 20.938 -26.238 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.135 23.344 -25.069 1.00 0.00 C ATOM 0 H ALA A 62 -6.056 21.329 -24.811 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.444 22.156 -23.319 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.198 23.516 -25.239 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.718 24.177 -24.503 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.622 23.265 -26.028 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.915 19.828 -24.277 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.537 18.631 -24.850 1.00 0.00 C ATOM 1014 C LEU A 63 -10.566 18.994 -25.925 1.00 0.00 C ATOM 1015 O LEU A 63 -11.695 19.373 -25.613 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.213 17.811 -23.751 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.261 17.061 -22.819 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.907 16.854 -21.457 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.863 15.727 -23.431 1.00 0.00 C ATOM 0 H LEU A 63 -8.757 19.776 -23.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.749 18.040 -25.316 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.832 18.478 -23.151 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.882 17.089 -24.218 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.360 17.660 -22.685 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.217 16.319 -20.805 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.146 17.822 -21.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.822 16.273 -21.573 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.185 15.205 -22.756 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.754 15.120 -23.592 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.364 15.899 -24.385 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.177 18.901 -27.209 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.048 19.239 -28.332 1.00 0.00 C ATOM 1033 C PRO A 64 -11.884 18.064 -28.834 1.00 0.00 C ATOM 1034 O PRO A 64 -13.087 18.201 -29.058 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.047 19.663 -29.400 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.840 18.818 -29.145 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.840 18.481 -27.671 1.00 0.00 C ATOM 0 HA PRO A 64 -11.785 19.994 -28.059 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.443 19.497 -30.402 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.811 20.724 -29.323 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.870 17.911 -29.748 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.930 19.352 -29.418 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.677 17.416 -27.505 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.049 19.011 -27.140 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.243 16.916 -29.030 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.938 15.734 -29.529 1.00 0.00 C ATOM 1047 C ALA A 65 -12.573 14.927 -28.403 1.00 0.00 C ATOM 1048 O ALA A 65 -12.065 13.873 -28.020 1.00 0.00 O ATOM 1049 CB ALA A 65 -10.989 14.859 -30.333 1.00 0.00 C ATOM 0 H ALA A 65 -10.248 16.779 -28.852 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.742 16.081 -30.178 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.524 13.982 -30.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.601 15.425 -31.180 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.161 14.542 -29.699 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.697 15.414 -27.891 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.410 14.721 -26.825 1.00 0.00 C ATOM 1057 C LEU A 66 -15.859 14.469 -27.230 1.00 0.00 C ATOM 1058 O LEU A 66 -16.332 14.996 -28.237 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.368 15.521 -25.517 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.989 16.022 -25.058 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.964 16.146 -23.541 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.863 15.108 -25.533 1.00 0.00 C ATOM 0 H LEU A 66 -14.134 16.284 -28.196 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.912 13.766 -26.660 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.025 16.384 -25.625 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.785 14.900 -24.725 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.823 17.001 -25.507 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.984 16.501 -23.221 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.729 16.854 -23.221 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.161 15.172 -23.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.906 15.499 -25.187 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.013 14.106 -25.130 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.864 15.065 -26.622 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.560 13.659 -26.441 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.954 13.340 -26.727 1.00 0.00 C ATOM 1076 C GLU A 67 -18.780 13.287 -25.444 1.00 0.00 C ATOM 1077 O GLU A 67 -18.246 13.061 -24.358 1.00 0.00 O ATOM 1078 CB GLU A 67 -18.049 12.004 -27.465 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.349 10.863 -26.747 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.759 9.501 -27.273 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -18.091 9.406 -28.473 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.746 8.532 -26.487 1.00 0.00 O ATOM 0 H GLU A 67 -16.187 13.214 -25.603 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.358 14.129 -27.361 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.100 11.747 -27.601 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.617 12.116 -28.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.270 10.979 -26.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.572 10.919 -25.681 1.00 0.00 H new ATOM 1089 N PRO A 68 -20.104 13.493 -25.555 1.00 0.00 N ATOM 1090 CA PRO A 68 -21.005 13.468 -24.411 1.00 0.00 C ATOM 1091 C PRO A 68 -21.469 12.057 -24.069 1.00 0.00 C ATOM 1092 O PRO A 68 -21.600 11.207 -24.949 1.00 0.00 O ATOM 1093 CB PRO A 68 -22.179 14.319 -24.878 1.00 0.00 C ATOM 1094 CG PRO A 68 -22.207 14.174 -26.363 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.823 13.765 -26.810 1.00 0.00 C ATOM 0 HA PRO A 68 -20.527 13.834 -23.502 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -23.113 13.978 -24.432 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -22.049 15.361 -24.587 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.942 13.426 -26.661 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.499 15.113 -26.834 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.855 12.883 -27.450 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -20.339 14.556 -27.383 1.00 0.00 H new ATOM 1103 N SER A 69 -21.714 11.813 -22.787 1.00 0.00 N ATOM 1104 CA SER A 69 -22.165 10.503 -22.333 1.00 0.00 C ATOM 1105 C SER A 69 -21.038 9.480 -22.428 1.00 0.00 C ATOM 1106 O SER A 69 -21.214 8.392 -22.977 1.00 0.00 O ATOM 1107 CB SER A 69 -23.365 10.034 -23.159 1.00 0.00 C ATOM 1108 OG SER A 69 -23.982 11.122 -23.825 1.00 0.00 O ATOM 0 H SER A 69 -21.608 12.504 -22.044 1.00 0.00 H new ATOM 0 HA SER A 69 -22.467 10.593 -21.290 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.040 9.293 -23.890 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.089 9.544 -22.508 1.00 0.00 H new ATOM 0 HG SER A 69 -24.745 10.796 -24.347 1.00 0.00 H new ATOM 1114 N THR A 70 -19.880 9.842 -21.890 1.00 0.00 N ATOM 1115 CA THR A 70 -18.717 8.966 -21.906 1.00 0.00 C ATOM 1116 C THR A 70 -17.719 9.391 -20.838 1.00 0.00 C ATOM 1117 O THR A 70 -17.418 10.576 -20.695 1.00 0.00 O ATOM 1118 CB THR A 70 -18.049 8.986 -23.287 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.876 8.360 -24.252 1.00 0.00 O ATOM 1120 CG2 THR A 70 -16.697 8.294 -23.324 1.00 0.00 C ATOM 0 H THR A 70 -19.722 10.741 -21.435 1.00 0.00 H new ATOM 0 HA THR A 70 -19.049 7.950 -21.693 1.00 0.00 H new ATOM 0 HB THR A 70 -17.899 10.042 -23.513 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.680 8.727 -25.139 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.287 8.349 -24.333 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.017 8.786 -22.629 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.815 7.249 -23.037 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.193 8.421 -20.103 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.212 8.709 -19.070 1.00 0.00 C ATOM 1130 C ARG A 71 -14.857 8.912 -19.724 1.00 0.00 C ATOM 1131 O ARG A 71 -14.527 8.230 -20.692 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.151 7.567 -18.054 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.565 7.976 -16.649 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.216 6.903 -15.629 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.696 5.583 -16.034 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.842 4.563 -15.195 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -16.548 4.711 -13.911 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -17.285 3.395 -15.639 1.00 0.00 N ATOM 0 H ARG A 71 -17.428 7.434 -20.203 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.500 9.615 -18.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.797 6.757 -18.392 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.135 7.173 -18.024 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.070 8.909 -16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.638 8.166 -16.626 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.135 6.870 -15.494 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.650 7.166 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.932 5.437 -17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.209 5.609 -13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.661 3.927 -13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.514 3.278 -16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.396 2.613 -14.994 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.086 9.869 -19.224 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.781 10.162 -19.807 1.00 0.00 C ATOM 1154 C TYR A 72 -11.646 9.987 -18.808 1.00 0.00 C ATOM 1155 O TYR A 72 -11.476 10.793 -17.893 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.761 11.587 -20.360 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.266 11.691 -21.780 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.591 11.411 -22.087 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.419 12.071 -22.812 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -15.058 11.507 -23.383 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.877 12.170 -24.112 1.00 0.00 C ATOM 1162 CZ TYR A 72 -14.198 11.886 -24.393 1.00 0.00 C ATOM 1163 OH TYR A 72 -14.664 11.988 -25.684 1.00 0.00 O ATOM 0 H TYR A 72 -14.337 10.451 -18.425 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.623 9.446 -20.613 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.369 12.225 -19.719 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.742 11.971 -20.317 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.267 11.113 -21.299 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.385 12.293 -22.595 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -16.092 11.286 -23.605 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.205 12.468 -24.903 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.978 11.667 -26.306 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.855 8.942 -19.016 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.707 8.657 -18.167 1.00 0.00 C ATOM 1175 C TRP A 73 -8.433 9.144 -18.850 1.00 0.00 C ATOM 1176 O TRP A 73 -7.947 8.518 -19.792 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.616 7.156 -17.890 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.847 6.593 -17.242 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -12.076 6.422 -17.816 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.966 6.128 -15.893 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.950 5.880 -16.904 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -12.292 5.690 -15.716 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -10.078 6.039 -14.818 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.750 5.172 -14.507 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -10.534 5.525 -13.618 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.859 5.096 -13.471 1.00 0.00 C ATOM 0 H TRP A 73 -10.990 8.272 -19.773 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.826 9.179 -17.217 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.436 6.631 -18.828 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.756 6.964 -17.248 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.324 6.676 -18.836 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.929 5.656 -17.082 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.054 6.366 -14.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.772 4.842 -14.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.857 5.453 -12.780 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.184 4.697 -12.521 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.906 10.277 -18.393 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.704 10.850 -18.994 1.00 0.00 C ATOM 1199 C ALA A 74 -5.478 10.697 -18.100 1.00 0.00 C ATOM 1200 O ALA A 74 -5.572 10.242 -16.959 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.933 12.318 -19.323 1.00 0.00 C ATOM 0 H ALA A 74 -8.289 10.813 -17.614 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.505 10.296 -19.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.031 12.736 -19.770 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.762 12.409 -20.025 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.170 12.863 -18.409 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.327 11.090 -18.639 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.060 11.017 -17.919 1.00 0.00 C ATOM 1209 C ARG A 75 -2.048 11.969 -18.549 1.00 0.00 C ATOM 1210 O ARG A 75 -2.356 12.638 -19.536 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.517 9.587 -17.936 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.709 8.886 -19.271 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.179 7.463 -19.234 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.110 6.870 -20.568 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.514 5.710 -20.827 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.934 5.029 -19.848 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.497 5.229 -22.063 1.00 0.00 N ATOM 0 H ARG A 75 -4.247 11.467 -19.584 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.229 11.311 -16.883 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.455 9.606 -17.693 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.012 9.009 -17.156 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.768 8.874 -19.528 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.197 9.446 -20.054 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.187 7.457 -18.783 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.821 6.853 -18.599 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.543 7.373 -21.342 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.945 5.395 -18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.477 4.139 -20.047 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.942 5.749 -22.819 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.039 4.339 -22.258 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.845 12.036 -17.985 1.00 0.00 N ATOM 1232 CA VAL A 76 0.178 12.924 -18.521 1.00 0.00 C ATOM 1233 C VAL A 76 1.589 12.459 -18.177 1.00 0.00 C ATOM 1234 O VAL A 76 1.882 12.096 -17.037 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.006 14.367 -18.008 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.271 14.449 -16.514 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.895 15.325 -18.770 1.00 0.00 C ATOM 0 H VAL A 76 -0.559 11.494 -17.169 1.00 0.00 H new ATOM 0 HA VAL A 76 0.057 12.899 -19.604 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.042 14.658 -18.179 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.135 15.476 -16.175 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.419 13.796 -15.980 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.296 14.134 -16.316 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.751 16.338 -18.393 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.936 15.032 -18.633 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.646 15.293 -19.831 1.00 0.00 H new ATOM 1247 N ARG A 77 2.466 12.506 -19.176 1.00 0.00 N ATOM 1248 CA ARG A 77 3.863 12.128 -19.003 1.00 0.00 C ATOM 1249 C ARG A 77 4.728 13.381 -19.005 1.00 0.00 C ATOM 1250 O ARG A 77 4.594 14.224 -19.888 1.00 0.00 O ATOM 1251 CB ARG A 77 4.315 11.193 -20.126 1.00 0.00 C ATOM 1252 CG ARG A 77 3.357 10.046 -20.399 1.00 0.00 C ATOM 1253 CD ARG A 77 3.963 9.042 -21.367 1.00 0.00 C ATOM 1254 NE ARG A 77 4.701 7.989 -20.676 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.423 7.065 -21.304 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.506 7.075 -22.629 1.00 0.00 N ATOM 1257 NH2 ARG A 77 6.061 6.133 -20.611 1.00 0.00 N ATOM 0 H ARG A 77 2.229 12.805 -20.122 1.00 0.00 H new ATOM 0 HA ARG A 77 3.968 11.604 -18.053 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.440 11.774 -21.040 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.293 10.784 -19.872 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.107 9.547 -19.463 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.426 10.436 -20.811 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.171 8.595 -21.968 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.631 9.560 -22.055 1.00 0.00 H new ATOM 0 HE ARG A 77 4.661 7.960 -19.657 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.016 7.791 -23.165 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.060 6.367 -23.111 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.999 6.123 -19.593 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.614 5.426 -21.096 1.00 0.00 H new ATOM 1271 N VAL A 78 5.612 13.513 -18.022 1.00 0.00 N ATOM 1272 CA VAL A 78 6.474 14.685 -17.948 1.00 0.00 C ATOM 1273 C VAL A 78 7.937 14.312 -18.158 1.00 0.00 C ATOM 1274 O VAL A 78 8.515 13.547 -17.385 1.00 0.00 O ATOM 1275 CB VAL A 78 6.316 15.427 -16.601 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.505 14.473 -15.434 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.287 16.597 -16.505 1.00 0.00 C ATOM 0 H VAL A 78 5.749 12.832 -17.275 1.00 0.00 H new ATOM 0 HA VAL A 78 6.162 15.354 -18.750 1.00 0.00 H new ATOM 0 HB VAL A 78 5.303 15.826 -16.554 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.389 15.017 -14.497 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.759 13.680 -15.488 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.503 14.036 -15.479 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.155 17.102 -15.548 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.310 16.228 -16.583 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.092 17.299 -17.316 1.00 0.00 H new ATOM 1287 N ARG A 79 8.531 14.866 -19.207 1.00 0.00 N ATOM 1288 CA ARG A 79 9.927 14.604 -19.516 1.00 0.00 C ATOM 1289 C ARG A 79 10.811 15.699 -18.934 1.00 0.00 C ATOM 1290 O ARG A 79 10.338 16.791 -18.623 1.00 0.00 O ATOM 1291 CB ARG A 79 10.136 14.515 -21.031 1.00 0.00 C ATOM 1292 CG ARG A 79 11.559 14.149 -21.426 1.00 0.00 C ATOM 1293 CD ARG A 79 11.747 14.124 -22.934 1.00 0.00 C ATOM 1294 NE ARG A 79 12.456 12.923 -23.370 1.00 0.00 N ATOM 1295 CZ ARG A 79 12.811 12.690 -24.629 1.00 0.00 C ATOM 1296 NH1 ARG A 79 12.511 13.566 -25.579 1.00 0.00 N ATOM 1297 NH2 ARG A 79 13.463 11.577 -24.941 1.00 0.00 N ATOM 0 H ARG A 79 8.066 15.500 -19.857 1.00 0.00 H new ATOM 0 HA ARG A 79 10.203 13.649 -19.069 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.451 13.773 -21.441 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.877 15.473 -21.483 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.252 14.866 -20.987 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.809 13.171 -21.014 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.774 14.170 -23.423 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.303 15.008 -23.246 1.00 0.00 H new ATOM 0 HE ARG A 79 12.692 12.223 -22.667 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.007 14.421 -25.344 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.785 13.385 -26.545 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.692 10.899 -24.214 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.735 11.399 -25.908 1.00 0.00 H new ATOM 1311 N THR A 80 12.096 15.404 -18.803 1.00 0.00 N ATOM 1312 CA THR A 80 13.048 16.367 -18.277 1.00 0.00 C ATOM 1313 C THR A 80 13.960 16.826 -19.396 1.00 0.00 C ATOM 1314 O THR A 80 15.180 16.687 -19.318 1.00 0.00 O ATOM 1315 CB THR A 80 13.872 15.750 -17.149 1.00 0.00 C ATOM 1316 OG1 THR A 80 13.105 14.805 -16.424 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.399 16.770 -16.160 1.00 0.00 C ATOM 0 H THR A 80 12.503 14.503 -19.055 1.00 0.00 H new ATOM 0 HA THR A 80 12.504 17.221 -17.872 1.00 0.00 H new ATOM 0 HB THR A 80 14.721 15.275 -17.642 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.652 14.421 -15.707 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.975 16.263 -15.386 1.00 0.00 H new ATOM 0 HG22 THR A 80 15.039 17.484 -16.679 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.563 17.299 -15.702 1.00 0.00 H new ATOM 1325 N SER A 81 13.346 17.345 -20.448 1.00 0.00 N ATOM 1326 CA SER A 81 14.078 17.809 -21.614 1.00 0.00 C ATOM 1327 C SER A 81 14.971 18.997 -21.274 1.00 0.00 C ATOM 1328 O SER A 81 14.737 20.124 -21.712 1.00 0.00 O ATOM 1329 CB SER A 81 13.104 18.151 -22.745 1.00 0.00 C ATOM 1330 OG SER A 81 12.648 19.490 -22.661 1.00 0.00 O ATOM 0 H SER A 81 12.334 17.456 -20.517 1.00 0.00 H new ATOM 0 HA SER A 81 14.731 17.004 -21.952 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.594 17.994 -23.706 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.251 17.474 -22.707 1.00 0.00 H new ATOM 0 HG SER A 81 13.412 20.100 -22.727 1.00 0.00 H new ATOM 1336 N ARG A 82 16.013 18.726 -20.494 1.00 0.00 N ATOM 1337 CA ARG A 82 16.965 19.751 -20.092 1.00 0.00 C ATOM 1338 C ARG A 82 17.435 20.546 -21.304 1.00 0.00 C ATOM 1339 O ARG A 82 17.206 21.750 -21.401 1.00 0.00 O ATOM 1340 CB ARG A 82 18.165 19.096 -19.405 1.00 0.00 C ATOM 1341 CG ARG A 82 18.041 19.019 -17.892 1.00 0.00 C ATOM 1342 CD ARG A 82 19.318 18.494 -17.253 1.00 0.00 C ATOM 1343 NE ARG A 82 20.355 19.520 -17.169 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.248 19.759 -18.127 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.226 19.067 -19.259 1.00 0.00 N ATOM 1346 NH2 ARG A 82 22.166 20.699 -17.955 1.00 0.00 N ATOM 0 H ARG A 82 16.219 17.797 -20.126 1.00 0.00 H new ATOM 0 HA ARG A 82 16.475 20.433 -19.397 1.00 0.00 H new ATOM 0 HB2 ARG A 82 18.293 18.089 -19.801 1.00 0.00 H new ATOM 0 HB3 ARG A 82 19.066 19.655 -19.658 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.814 20.008 -17.494 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.207 18.369 -17.627 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.096 18.122 -16.253 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.691 17.649 -17.832 1.00 0.00 H new ATOM 0 HE ARG A 82 20.397 20.089 -16.323 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.520 18.344 -19.401 1.00 0.00 H new ATOM 0 HH12 ARG A 82 21.915 19.258 -19.987 1.00 0.00 H new ATOM 0 HH21 ARG A 82 22.188 21.238 -17.089 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.851 20.883 -18.688 1.00 0.00 H new ATOM 1360 N THR A 83 18.091 19.848 -22.223 1.00 0.00 N ATOM 1361 CA THR A 83 18.605 20.454 -23.444 1.00 0.00 C ATOM 1362 C THR A 83 19.288 19.394 -24.297 1.00 0.00 C ATOM 1363 O THR A 83 18.847 19.089 -25.406 1.00 0.00 O ATOM 1364 CB THR A 83 19.589 21.573 -23.108 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.218 21.330 -21.862 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.935 22.934 -23.035 1.00 0.00 C ATOM 0 H THR A 83 18.281 18.849 -22.143 1.00 0.00 H new ATOM 0 HA THR A 83 17.773 20.881 -24.004 1.00 0.00 H new ATOM 0 HB THR A 83 20.316 21.577 -23.921 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.845 22.057 -21.665 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.686 23.686 -22.793 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.481 23.171 -23.997 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.166 22.927 -22.262 1.00 0.00 H new ATOM 1374 N GLY A 84 20.351 18.815 -23.754 1.00 0.00 N ATOM 1375 CA GLY A 84 21.069 17.770 -24.455 1.00 0.00 C ATOM 1376 C GLY A 84 20.759 16.398 -23.882 1.00 0.00 C ATOM 1377 O GLY A 84 21.465 15.427 -24.159 1.00 0.00 O ATOM 0 H GLY A 84 20.729 19.052 -22.837 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.804 17.792 -25.512 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.141 17.958 -24.391 1.00 0.00 H new ATOM 1381 N TYR A 85 19.700 16.322 -23.076 1.00 0.00 N ATOM 1382 CA TYR A 85 19.290 15.070 -22.454 1.00 0.00 C ATOM 1383 C TYR A 85 18.268 14.346 -23.333 1.00 0.00 C ATOM 1384 O TYR A 85 17.616 14.967 -24.174 1.00 0.00 O ATOM 1385 CB TYR A 85 18.747 15.365 -21.031 1.00 0.00 C ATOM 1386 CG TYR A 85 17.347 14.857 -20.710 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.252 15.196 -21.499 1.00 0.00 C ATOM 1388 CD2 TYR A 85 17.130 14.045 -19.606 1.00 0.00 C ATOM 1389 CE1 TYR A 85 14.981 14.734 -21.199 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.866 13.582 -19.297 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.796 13.926 -20.094 1.00 0.00 C ATOM 1392 OH TYR A 85 13.540 13.464 -19.783 1.00 0.00 O ATOM 0 H TYR A 85 19.110 17.120 -22.840 1.00 0.00 H new ATOM 0 HA TYR A 85 20.145 14.401 -22.356 1.00 0.00 H new ATOM 0 HB2 TYR A 85 19.439 14.934 -20.307 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.759 16.444 -20.880 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.396 15.831 -22.361 1.00 0.00 H new ATOM 0 HD2 TYR A 85 17.964 13.770 -18.977 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.142 15.003 -21.824 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.717 12.952 -18.433 1.00 0.00 H new ATOM 0 HH TYR A 85 13.586 12.909 -18.977 1.00 0.00 H new ATOM 1402 N ASN A 86 18.125 13.036 -23.130 1.00 0.00 N ATOM 1403 CA ASN A 86 17.172 12.238 -23.902 1.00 0.00 C ATOM 1404 C ASN A 86 17.443 10.747 -23.732 1.00 0.00 C ATOM 1405 O ASN A 86 18.256 10.342 -22.901 1.00 0.00 O ATOM 1406 CB ASN A 86 17.218 12.610 -25.387 1.00 0.00 C ATOM 1407 CG ASN A 86 15.939 13.283 -25.843 1.00 0.00 C ATOM 1408 OD1 ASN A 86 15.458 13.045 -26.951 1.00 0.00 O ATOM 1409 ND2 ASN A 86 15.381 14.129 -24.985 1.00 0.00 N ATOM 0 H ASN A 86 18.656 12.506 -22.439 1.00 0.00 H new ATOM 0 HA ASN A 86 16.176 12.458 -23.519 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.062 13.275 -25.568 1.00 0.00 H new ATOM 0 HB3 ASN A 86 17.387 11.712 -25.981 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.518 14.612 -25.234 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.815 14.295 -24.077 1.00 0.00 H new ATOM 1416 N GLY A 87 16.746 9.934 -24.520 1.00 0.00 N ATOM 1417 CA GLY A 87 16.913 8.495 -24.438 1.00 0.00 C ATOM 1418 C GLY A 87 16.017 7.862 -23.387 1.00 0.00 C ATOM 1419 O GLY A 87 16.119 6.666 -23.116 1.00 0.00 O ATOM 0 H GLY A 87 16.068 10.247 -25.215 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.696 8.052 -25.410 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.954 8.266 -24.209 1.00 0.00 H new ATOM 1423 N ILE A 88 15.138 8.667 -22.792 1.00 0.00 N ATOM 1424 CA ILE A 88 14.227 8.182 -21.765 1.00 0.00 C ATOM 1425 C ILE A 88 12.950 9.023 -21.740 1.00 0.00 C ATOM 1426 O ILE A 88 12.758 9.896 -22.581 1.00 0.00 O ATOM 1427 CB ILE A 88 14.898 8.190 -20.364 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.753 9.555 -19.674 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.370 7.816 -20.477 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.281 10.705 -20.501 1.00 0.00 C ATOM 0 H ILE A 88 15.040 9.659 -23.006 1.00 0.00 H new ATOM 0 HA ILE A 88 13.969 7.152 -22.012 1.00 0.00 H new ATOM 0 HB ILE A 88 14.386 7.448 -19.751 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.701 9.731 -19.451 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.281 9.530 -18.721 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.825 7.826 -19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.460 6.819 -20.907 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.880 8.535 -21.118 1.00 0.00 H new ATOM 0 HD11 ILE A 88 15.147 11.638 -19.954 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.341 10.552 -20.703 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.736 10.756 -21.444 1.00 0.00 H new ATOM 1442 N TRP A 89 12.095 8.762 -20.759 1.00 0.00 N ATOM 1443 CA TRP A 89 10.850 9.504 -20.614 1.00 0.00 C ATOM 1444 C TRP A 89 10.106 9.061 -19.356 1.00 0.00 C ATOM 1445 O TRP A 89 10.214 7.909 -18.936 1.00 0.00 O ATOM 1446 CB TRP A 89 9.968 9.303 -21.847 1.00 0.00 C ATOM 1447 CG TRP A 89 9.765 10.552 -22.652 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.515 10.974 -23.713 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.741 11.540 -22.470 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.034 12.168 -24.188 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.943 12.534 -23.446 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.675 11.684 -21.574 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.121 13.652 -23.552 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.861 12.794 -21.683 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.087 13.766 -22.665 1.00 0.00 C ATOM 0 H TRP A 89 12.242 8.042 -20.052 1.00 0.00 H new ATOM 0 HA TRP A 89 11.088 10.564 -20.521 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.416 8.540 -22.483 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.997 8.923 -21.530 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.364 10.444 -24.119 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.426 12.697 -24.967 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.493 10.941 -20.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.294 14.403 -24.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.035 12.915 -20.998 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.432 14.623 -22.723 1.00 0.00 H new ATOM 1466 N SER A 90 9.353 9.979 -18.754 1.00 0.00 N ATOM 1467 CA SER A 90 8.601 9.669 -17.542 1.00 0.00 C ATOM 1468 C SER A 90 7.767 8.405 -17.726 1.00 0.00 C ATOM 1469 O SER A 90 7.799 7.774 -18.783 1.00 0.00 O ATOM 1470 CB SER A 90 7.695 10.840 -17.150 1.00 0.00 C ATOM 1471 OG SER A 90 7.321 11.606 -18.280 1.00 0.00 O ATOM 0 H SER A 90 9.248 10.938 -19.084 1.00 0.00 H new ATOM 0 HA SER A 90 9.320 9.498 -16.740 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.802 10.460 -16.654 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.212 11.477 -16.432 1.00 0.00 H new ATOM 0 HG SER A 90 7.149 11.009 -19.038 1.00 0.00 H new ATOM 1477 N GLU A 91 7.025 8.037 -16.686 1.00 0.00 N ATOM 1478 CA GLU A 91 6.187 6.844 -16.729 1.00 0.00 C ATOM 1479 C GLU A 91 4.760 7.187 -17.144 1.00 0.00 C ATOM 1480 O GLU A 91 4.386 7.025 -18.306 1.00 0.00 O ATOM 1481 CB GLU A 91 6.178 6.153 -15.363 1.00 0.00 C ATOM 1482 CG GLU A 91 7.210 5.044 -15.234 1.00 0.00 C ATOM 1483 CD GLU A 91 6.733 3.731 -15.822 1.00 0.00 C ATOM 1484 OE1 GLU A 91 5.660 3.247 -15.403 1.00 0.00 O ATOM 1485 OE2 GLU A 91 7.431 3.186 -16.703 1.00 0.00 O ATOM 0 H GLU A 91 6.987 8.548 -15.804 1.00 0.00 H new ATOM 0 HA GLU A 91 6.607 6.167 -17.473 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.358 6.897 -14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.187 5.738 -15.182 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.129 5.349 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.452 4.899 -14.181 1.00 0.00 H new ATOM 1492 N TRP A 92 3.964 7.652 -16.186 1.00 0.00 N ATOM 1493 CA TRP A 92 2.574 8.010 -16.449 1.00 0.00 C ATOM 1494 C TRP A 92 1.899 8.526 -15.180 1.00 0.00 C ATOM 1495 O TRP A 92 1.953 7.882 -14.133 1.00 0.00 O ATOM 1496 CB TRP A 92 1.812 6.796 -16.984 1.00 0.00 C ATOM 1497 CG TRP A 92 1.684 6.781 -18.476 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.044 5.770 -19.322 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.156 7.825 -19.301 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.769 6.123 -20.621 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.224 7.381 -20.634 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.632 9.093 -19.038 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.787 8.161 -21.701 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.199 9.867 -20.098 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.277 9.398 -21.415 1.00 0.00 C ATOM 0 H TRP A 92 4.258 7.790 -15.219 1.00 0.00 H new ATOM 0 HA TRP A 92 2.560 8.803 -17.197 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.320 5.887 -16.662 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.816 6.778 -16.542 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.481 4.831 -19.015 1.00 0.00 H new ATOM 0 HE1 TRP A 92 1.942 5.543 -21.442 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.566 9.462 -18.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 0.848 7.803 -22.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.206 10.850 -19.907 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.073 10.025 -22.222 1.00 0.00 H new ATOM 1516 N SER A 93 1.264 9.690 -15.279 1.00 0.00 N ATOM 1517 CA SER A 93 0.582 10.284 -14.133 1.00 0.00 C ATOM 1518 C SER A 93 -0.683 9.507 -13.783 1.00 0.00 C ATOM 1519 O SER A 93 -1.141 8.665 -14.556 1.00 0.00 O ATOM 1520 CB SER A 93 0.231 11.745 -14.422 1.00 0.00 C ATOM 1521 OG SER A 93 -0.880 11.836 -15.297 1.00 0.00 O ATOM 0 H SER A 93 1.207 10.239 -16.137 1.00 0.00 H new ATOM 0 HA SER A 93 1.260 10.240 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.006 12.260 -13.488 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.090 12.248 -14.865 1.00 0.00 H new ATOM 0 HG SER A 93 -1.708 11.862 -14.773 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.241 9.797 -12.612 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.454 9.127 -12.150 1.00 0.00 C ATOM 1529 C GLU A 94 -3.604 9.341 -13.127 1.00 0.00 C ATOM 1530 O GLU A 94 -3.792 10.438 -13.654 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.849 9.638 -10.763 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.665 11.137 -10.590 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.619 11.479 -9.546 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -0.571 10.802 -9.513 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.851 12.423 -8.761 1.00 0.00 O ATOM 0 H GLU A 94 -0.872 10.493 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.245 8.059 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.892 9.385 -10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.255 9.119 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.377 11.577 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.617 11.586 -10.306 1.00 0.00 H new ATOM 1542 N ALA A 95 -4.370 8.282 -13.361 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.506 8.343 -14.273 1.00 0.00 C ATOM 1544 C ALA A 95 -6.737 8.910 -13.576 1.00 0.00 C ATOM 1545 O ALA A 95 -7.142 8.427 -12.520 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.805 6.962 -14.834 1.00 0.00 C ATOM 0 H ALA A 95 -4.225 7.369 -12.931 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.246 9.009 -15.096 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.655 7.022 -15.513 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.934 6.592 -15.375 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.041 6.280 -14.017 1.00 0.00 H new ATOM 1552 N ARG A 96 -7.330 9.937 -14.177 1.00 0.00 N ATOM 1553 CA ARG A 96 -8.518 10.570 -13.615 1.00 0.00 C ATOM 1554 C ARG A 96 -9.691 10.477 -14.585 1.00 0.00 C ATOM 1555 O ARG A 96 -9.550 10.768 -15.773 1.00 0.00 O ATOM 1556 CB ARG A 96 -8.230 12.034 -13.283 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.974 12.231 -12.450 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.164 11.725 -11.029 1.00 0.00 C ATOM 1559 NE ARG A 96 -6.250 12.371 -10.091 1.00 0.00 N ATOM 1560 CZ ARG A 96 -6.403 13.617 -9.656 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -7.431 14.345 -10.068 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -5.527 14.136 -8.804 1.00 0.00 N ATOM 0 H ARG A 96 -7.007 10.348 -15.053 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.784 10.043 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.133 12.596 -14.212 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.082 12.451 -12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.141 11.706 -12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.712 13.289 -12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.192 11.904 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.007 10.647 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.450 11.836 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.107 13.949 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.546 15.301 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.736 13.578 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.645 15.093 -8.471 1.00 0.00 H new ATOM 1576 N SER A 97 -10.848 10.068 -14.072 1.00 0.00 N ATOM 1577 CA SER A 97 -12.045 9.933 -14.895 1.00 0.00 C ATOM 1578 C SER A 97 -13.017 11.084 -14.652 1.00 0.00 C ATOM 1579 O SER A 97 -13.339 11.404 -13.509 1.00 0.00 O ATOM 1580 CB SER A 97 -12.737 8.599 -14.612 1.00 0.00 C ATOM 1581 OG SER A 97 -11.948 7.787 -13.761 1.00 0.00 O ATOM 0 H SER A 97 -10.982 9.824 -13.091 1.00 0.00 H new ATOM 0 HA SER A 97 -11.736 9.962 -15.940 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.708 8.780 -14.150 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.923 8.076 -15.550 1.00 0.00 H new ATOM 0 HG SER A 97 -11.709 6.959 -14.228 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.485 11.697 -15.736 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.427 12.808 -15.639 1.00 0.00 C ATOM 1589 C TRP A 98 -15.594 12.618 -16.608 1.00 0.00 C ATOM 1590 O TRP A 98 -15.465 11.930 -17.620 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.714 14.142 -15.905 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.462 14.424 -17.357 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.330 14.996 -18.241 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.264 14.149 -18.094 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.746 15.094 -19.480 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.478 14.580 -19.413 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -11.032 13.583 -17.768 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.505 14.460 -20.398 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -10.068 13.466 -18.747 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.309 13.903 -20.050 1.00 0.00 C ATOM 0 H TRP A 98 -13.228 11.444 -16.690 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.828 12.827 -14.626 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.313 14.951 -15.488 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.762 14.144 -15.375 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.331 15.324 -18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.185 15.485 -20.314 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.836 13.241 -16.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.690 14.797 -21.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.111 13.029 -18.501 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.535 13.799 -20.796 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.731 13.228 -16.288 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.921 13.121 -17.127 1.00 0.00 C ATOM 1613 C ASP A 99 -17.948 14.216 -18.189 1.00 0.00 C ATOM 1614 O ASP A 99 -17.513 15.341 -17.947 1.00 0.00 O ATOM 1615 CB ASP A 99 -19.184 13.201 -16.268 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.260 14.486 -15.467 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.360 15.337 -15.625 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.219 14.642 -14.683 1.00 0.00 O ATOM 0 H ASP A 99 -16.854 13.802 -15.454 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.889 12.155 -17.631 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -20.062 13.124 -16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.211 12.350 -15.587 1.00 0.00 H new ATOM 1623 N THR A 100 -18.463 13.877 -19.368 1.00 0.00 N ATOM 1624 CA THR A 100 -18.548 14.831 -20.469 1.00 0.00 C ATOM 1625 C THR A 100 -19.975 15.330 -20.650 1.00 0.00 C ATOM 1626 O THR A 100 -20.385 15.694 -21.752 1.00 0.00 O ATOM 1627 CB THR A 100 -18.054 14.193 -21.764 1.00 0.00 C ATOM 1628 OG1 THR A 100 -17.990 12.782 -21.639 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.686 14.682 -22.173 1.00 0.00 C ATOM 0 H THR A 100 -18.827 12.949 -19.585 1.00 0.00 H new ATOM 0 HA THR A 100 -17.913 15.682 -20.225 1.00 0.00 H new ATOM 0 HB THR A 100 -18.775 14.483 -22.528 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.288 12.542 -20.999 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.387 14.194 -23.101 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.716 15.761 -22.324 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.966 14.445 -21.390 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.724 15.346 -19.558 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.109 15.802 -19.580 1.00 0.00 C ATOM 1639 C GLU A 101 -22.949 14.955 -20.531 1.00 0.00 C ATOM 1640 O GLU A 101 -22.446 14.438 -21.529 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.176 17.272 -19.996 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.669 18.229 -18.929 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.792 18.855 -18.125 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.739 18.126 -17.762 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -22.725 20.073 -17.858 1.00 0.00 O ATOM 0 H GLU A 101 -20.395 15.047 -18.640 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.515 15.695 -18.574 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.591 17.411 -20.905 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -23.208 17.526 -20.239 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.999 17.694 -18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.083 19.017 -19.402 1.00 0.00 H new ATOM 1652 N SER A 102 -24.234 14.819 -20.216 1.00 0.00 N ATOM 1653 CA SER A 102 -25.145 14.036 -21.043 1.00 0.00 C ATOM 1654 C SER A 102 -26.069 14.945 -21.846 1.00 0.00 C ATOM 1655 O SER A 102 -25.684 15.337 -22.968 1.00 0.00 O ATOM 1656 CB SER A 102 -25.972 13.090 -20.172 1.00 0.00 C ATOM 1657 OG SER A 102 -26.604 12.093 -20.958 1.00 0.00 O ATOM 1658 OXT SER A 102 -27.170 15.259 -21.346 1.00 0.00 O ATOM 0 H SER A 102 -24.667 15.241 -19.394 1.00 0.00 H new ATOM 0 HA SER A 102 -24.548 13.448 -21.740 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.328 12.618 -19.430 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.725 13.658 -19.626 1.00 0.00 H new ATOM 0 HG SER A 102 -27.125 11.500 -20.377 1.00 0.00 H new TER 1664 SER A 102