USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 750 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 23 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.59!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 ASN : amide:sc= -0.536 K(o=-0.54,f=-2.2!) USER MOD Single : A 2 ASN : amide:sc= -2.05! C(o=-2.1!,f=-5.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= -0.156 (180deg=-2.52!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.274 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 21:sc= 0.99 USER MOD Single : A 31 SER OG : rot -58:sc= 0.333 USER MOD Single : A 32 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 140:sc= -1.92! USER MOD Single : A 42 MET CE :methyl -153:sc= 0 (180deg=-0.044) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc=-0.00997 (180deg=-0.435) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 84:sc= 0.302 USER MOD Single : A 48 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.56) USER MOD Single : A 49 GLN : amide:sc= -0.112 K(o=-0.11,f=-1) USER MOD Single : A 50 SER OG : rot 180:sc= -0.585 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00265) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.711 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 170:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-4.4!) USER MOD Single : A 74 THR OG1 : rot -33:sc= 0.441 USER MOD Single : A 79 ASN : amide:sc= -1.28! C(o=-1.3!,f=-7.6!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 44:sc= -4.27! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 90 MET CE :methyl 169:sc= 0 (180deg=-0.135) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -2.233 -12.580 -18.732 1.00 0.00 N ATOM 2 CA GLY A -6 -1.046 -12.450 -17.909 1.00 0.00 C ATOM 3 C GLY A -6 -1.280 -11.584 -16.687 1.00 0.00 C ATOM 4 O GLY A -6 -1.773 -12.061 -15.665 1.00 0.00 O ATOM 0 H1 GLY A -6 -2.021 -13.181 -19.554 1.00 0.00 H new ATOM 0 H2 GLY A -6 -2.997 -13.013 -18.174 1.00 0.00 H new ATOM 0 H3 GLY A -6 -2.534 -11.640 -19.059 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -0.717 -13.440 -17.592 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -0.240 -12.022 -18.505 1.00 0.00 H new ATOM 8 N SER A -5 -0.923 -10.307 -16.791 1.00 0.00 N ATOM 9 CA SER A -5 -1.092 -9.374 -15.684 1.00 0.00 C ATOM 10 C SER A -5 -2.096 -8.282 -16.042 1.00 0.00 C ATOM 11 O SER A -5 -3.081 -8.073 -15.335 1.00 0.00 O ATOM 12 CB SER A -5 0.251 -8.745 -15.310 1.00 0.00 C ATOM 13 OG SER A -5 1.091 -9.683 -14.660 1.00 0.00 O ATOM 0 H SER A -5 -0.515 -9.896 -17.631 1.00 0.00 H new ATOM 0 HA SER A -5 -1.476 -9.930 -14.828 1.00 0.00 H new ATOM 0 HB2 SER A -5 0.744 -8.372 -16.208 1.00 0.00 H new ATOM 0 HB3 SER A -5 0.085 -7.888 -14.658 1.00 0.00 H new ATOM 0 HG SER A -5 1.944 -9.256 -14.433 1.00 0.00 H new ATOM 19 N SER A -4 -1.837 -7.588 -17.146 1.00 0.00 N ATOM 20 CA SER A -4 -2.714 -6.515 -17.597 1.00 0.00 C ATOM 21 C SER A -4 -3.344 -6.858 -18.944 1.00 0.00 C ATOM 22 O SER A -4 -2.714 -7.485 -19.795 1.00 0.00 O ATOM 23 CB SER A -4 -1.936 -5.202 -17.705 1.00 0.00 C ATOM 24 OG SER A -4 -0.797 -5.351 -18.536 1.00 0.00 O ATOM 0 H SER A -4 -1.027 -7.750 -17.744 1.00 0.00 H new ATOM 0 HA SER A -4 -3.510 -6.398 -16.862 1.00 0.00 H new ATOM 0 HB2 SER A -4 -2.584 -4.424 -18.107 1.00 0.00 H new ATOM 0 HB3 SER A -4 -1.626 -4.877 -16.712 1.00 0.00 H new ATOM 0 HG SER A -4 -0.318 -4.498 -18.590 1.00 0.00 H new ATOM 30 N GLY A -3 -4.593 -6.441 -19.130 1.00 0.00 N ATOM 31 CA GLY A -3 -5.288 -6.713 -20.375 1.00 0.00 C ATOM 32 C GLY A -3 -5.619 -5.448 -21.142 1.00 0.00 C ATOM 33 O GLY A -3 -4.729 -4.787 -21.676 1.00 0.00 O ATOM 0 H GLY A -3 -5.136 -5.920 -18.441 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -4.671 -7.361 -20.998 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -6.208 -7.257 -20.163 1.00 0.00 H new ATOM 37 N SER A -2 -6.904 -5.111 -21.199 1.00 0.00 N ATOM 38 CA SER A -2 -7.351 -3.920 -21.912 1.00 0.00 C ATOM 39 C SER A -2 -7.959 -2.906 -20.947 1.00 0.00 C ATOM 40 O SER A -2 -9.175 -2.861 -20.762 1.00 0.00 O ATOM 41 CB SER A -2 -8.374 -4.297 -22.985 1.00 0.00 C ATOM 42 OG SER A -2 -8.937 -3.141 -23.580 1.00 0.00 O ATOM 0 H SER A -2 -7.653 -5.646 -20.760 1.00 0.00 H new ATOM 0 HA SER A -2 -6.484 -3.465 -22.391 1.00 0.00 H new ATOM 0 HB2 SER A -2 -7.895 -4.907 -23.750 1.00 0.00 H new ATOM 0 HB3 SER A -2 -9.164 -4.903 -22.542 1.00 0.00 H new ATOM 0 HG SER A -2 -9.587 -3.408 -24.263 1.00 0.00 H new ATOM 48 N SER A -1 -7.102 -2.094 -20.336 1.00 0.00 N ATOM 49 CA SER A -1 -7.553 -1.083 -19.387 1.00 0.00 C ATOM 50 C SER A -1 -7.097 0.308 -19.818 1.00 0.00 C ATOM 51 O SER A -1 -6.029 0.773 -19.423 1.00 0.00 O ATOM 52 CB SER A -1 -7.023 -1.395 -17.986 1.00 0.00 C ATOM 53 OG SER A -1 -7.396 -0.386 -17.063 1.00 0.00 O ATOM 0 H SER A -1 -6.093 -2.117 -20.481 1.00 0.00 H new ATOM 0 HA SER A -1 -8.643 -1.099 -19.367 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.411 -2.358 -17.653 1.00 0.00 H new ATOM 0 HB3 SER A -1 -5.937 -1.482 -18.016 1.00 0.00 H new ATOM 0 HG SER A -1 -7.047 -0.610 -16.175 1.00 0.00 H new ATOM 59 N GLY A 0 -7.916 0.967 -20.632 1.00 0.00 N ATOM 60 CA GLY A 0 -7.580 2.297 -21.105 1.00 0.00 C ATOM 61 C GLY A 0 -8.614 3.332 -20.707 1.00 0.00 C ATOM 62 O GLY A 0 -9.292 3.901 -21.561 1.00 0.00 O ATOM 0 H GLY A 0 -8.806 0.603 -20.972 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -6.608 2.587 -20.706 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -7.486 2.280 -22.191 1.00 0.00 H new ATOM 66 N MET A 1 -8.736 3.574 -19.406 1.00 0.00 N ATOM 67 CA MET A 1 -9.696 4.546 -18.896 1.00 0.00 C ATOM 68 C MET A 1 -9.095 5.354 -17.750 1.00 0.00 C ATOM 69 O MET A 1 -8.894 4.837 -16.653 1.00 0.00 O ATOM 70 CB MET A 1 -10.969 3.841 -18.426 1.00 0.00 C ATOM 71 CG MET A 1 -12.167 4.768 -18.301 1.00 0.00 C ATOM 72 SD MET A 1 -12.074 5.832 -16.848 1.00 0.00 S ATOM 73 CE MET A 1 -12.282 7.446 -17.597 1.00 0.00 C ATOM 0 H MET A 1 -8.182 3.110 -18.686 1.00 0.00 H new ATOM 0 HA MET A 1 -9.947 5.230 -19.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.211 3.041 -19.126 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.780 3.373 -17.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.237 5.387 -19.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.079 4.173 -18.253 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.247 8.213 -16.824 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.481 7.619 -18.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.244 7.489 -18.108 1.00 0.00 H new ATOM 83 N ASN A 2 -8.811 6.626 -18.014 1.00 0.00 N ATOM 84 CA ASN A 2 -8.232 7.504 -17.004 1.00 0.00 C ATOM 85 C ASN A 2 -8.257 8.957 -17.469 1.00 0.00 C ATOM 86 O ASN A 2 -8.264 9.236 -18.667 1.00 0.00 O ATOM 87 CB ASN A 2 -6.795 7.081 -16.693 1.00 0.00 C ATOM 88 CG ASN A 2 -5.795 7.665 -17.672 1.00 0.00 C ATOM 89 OD1 ASN A 2 -5.697 8.883 -17.824 1.00 0.00 O ATOM 90 ND2 ASN A 2 -5.048 6.796 -18.343 1.00 0.00 N ATOM 0 H ASN A 2 -8.972 7.071 -18.918 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.832 7.420 -16.098 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.537 7.397 -15.682 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.727 5.993 -16.714 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.359 7.130 -19.017 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.164 5.795 -18.185 1.00 0.00 H new ATOM 97 N ASN A 3 -8.269 9.879 -16.511 1.00 0.00 N ATOM 98 CA ASN A 3 -8.293 11.304 -16.822 1.00 0.00 C ATOM 99 C ASN A 3 -6.964 11.961 -16.462 1.00 0.00 C ATOM 100 O ASN A 3 -6.735 12.334 -15.312 1.00 0.00 O ATOM 101 CB ASN A 3 -9.435 11.992 -16.071 1.00 0.00 C ATOM 102 CG ASN A 3 -10.689 11.140 -16.019 1.00 0.00 C ATOM 103 OD1 ASN A 3 -10.695 10.059 -15.430 1.00 0.00 O ATOM 104 ND2 ASN A 3 -11.759 11.626 -16.638 1.00 0.00 N ATOM 0 H ASN A 3 -8.263 9.665 -15.514 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.454 11.414 -17.894 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.112 12.221 -15.055 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.664 12.942 -16.554 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.632 11.098 -16.638 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.708 12.527 -17.114 1.00 0.00 H new ATOM 111 N SER A 4 -6.091 12.100 -17.455 1.00 0.00 N ATOM 112 CA SER A 4 -4.783 12.709 -17.243 1.00 0.00 C ATOM 113 C SER A 4 -4.911 14.012 -16.459 1.00 0.00 C ATOM 114 O SER A 4 -5.793 14.826 -16.726 1.00 0.00 O ATOM 115 CB SER A 4 -4.097 12.974 -18.585 1.00 0.00 C ATOM 116 OG SER A 4 -3.543 11.783 -19.118 1.00 0.00 O ATOM 0 H SER A 4 -6.266 11.799 -18.414 1.00 0.00 H new ATOM 0 HA SER A 4 -4.176 12.014 -16.663 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.817 13.391 -19.289 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.311 13.718 -18.455 1.00 0.00 H new ATOM 0 HG SER A 4 -3.112 11.978 -19.976 1.00 0.00 H new ATOM 122 N GLY A 5 -4.023 14.200 -15.488 1.00 0.00 N ATOM 123 CA GLY A 5 -4.053 15.405 -14.679 1.00 0.00 C ATOM 124 C GLY A 5 -2.905 15.469 -13.691 1.00 0.00 C ATOM 125 O GLY A 5 -1.991 14.645 -13.737 1.00 0.00 O ATOM 0 H GLY A 5 -3.284 13.540 -15.247 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.016 16.278 -15.331 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.998 15.452 -14.137 1.00 0.00 H new ATOM 129 N ALA A 6 -2.949 16.451 -12.797 1.00 0.00 N ATOM 130 CA ALA A 6 -1.905 16.619 -11.794 1.00 0.00 C ATOM 131 C ALA A 6 -2.440 16.345 -10.393 1.00 0.00 C ATOM 132 O ALA A 6 -2.289 17.167 -9.489 1.00 0.00 O ATOM 133 CB ALA A 6 -1.318 18.020 -11.873 1.00 0.00 C ATOM 0 H ALA A 6 -3.697 17.143 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.117 15.895 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.540 18.131 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.890 18.180 -12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.104 18.754 -11.695 1.00 0.00 H new ATOM 139 N ASP A 7 -3.066 15.187 -10.220 1.00 0.00 N ATOM 140 CA ASP A 7 -3.624 14.805 -8.928 1.00 0.00 C ATOM 141 C ASP A 7 -2.973 13.525 -8.411 1.00 0.00 C ATOM 142 O ASP A 7 -2.608 13.433 -7.240 1.00 0.00 O ATOM 143 CB ASP A 7 -5.137 14.612 -9.038 1.00 0.00 C ATOM 144 CG ASP A 7 -5.518 13.622 -10.121 1.00 0.00 C ATOM 145 OD1 ASP A 7 -5.346 13.952 -11.314 1.00 0.00 O ATOM 146 OD2 ASP A 7 -5.987 12.518 -9.776 1.00 0.00 O ATOM 0 H ASP A 7 -3.200 14.496 -10.958 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.418 15.608 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.527 14.266 -8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.609 15.572 -9.246 1.00 0.00 H new ATOM 151 N GLU A 8 -2.831 12.541 -9.294 1.00 0.00 N ATOM 152 CA GLU A 8 -2.226 11.267 -8.926 1.00 0.00 C ATOM 153 C GLU A 8 -0.730 11.429 -8.671 1.00 0.00 C ATOM 154 O GLU A 8 -0.044 10.472 -8.309 1.00 0.00 O ATOM 155 CB GLU A 8 -2.457 10.230 -10.027 1.00 0.00 C ATOM 156 CG GLU A 8 -3.911 10.108 -10.451 1.00 0.00 C ATOM 157 CD GLU A 8 -4.080 9.307 -11.728 1.00 0.00 C ATOM 158 OE1 GLU A 8 -3.974 9.903 -12.821 1.00 0.00 O ATOM 159 OE2 GLU A 8 -4.318 8.085 -11.634 1.00 0.00 O ATOM 0 H GLU A 8 -3.127 12.602 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.699 10.922 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.855 10.494 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.106 9.259 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.481 9.635 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.329 11.104 -10.593 1.00 0.00 H new ATOM 166 N ILE A 9 -0.231 12.646 -8.863 1.00 0.00 N ATOM 167 CA ILE A 9 1.182 12.933 -8.653 1.00 0.00 C ATOM 168 C ILE A 9 1.687 12.300 -7.361 1.00 0.00 C ATOM 169 O ILE A 9 2.588 11.463 -7.379 1.00 0.00 O ATOM 170 CB ILE A 9 1.447 14.450 -8.606 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.885 15.127 -9.857 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.938 14.723 -8.473 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.180 16.609 -9.926 1.00 0.00 C ATOM 0 H ILE A 9 -0.785 13.448 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 9 1.720 12.504 -9.498 1.00 0.00 H new ATOM 0 HB ILE A 9 0.942 14.866 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.299 14.641 -10.740 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.194 14.978 -9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.109 15.799 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.311 14.269 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.464 14.297 -9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.752 17.023 -10.839 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.742 17.108 -9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.259 16.766 -9.928 1.00 0.00 H new ATOM 185 N GLY A 10 1.096 12.704 -6.240 1.00 0.00 N ATOM 186 CA GLY A 10 1.498 12.164 -4.954 1.00 0.00 C ATOM 187 C GLY A 10 0.809 10.852 -4.636 1.00 0.00 C ATOM 188 O GLY A 10 0.608 10.515 -3.469 1.00 0.00 O ATOM 0 H GLY A 10 0.347 13.395 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.578 12.015 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.271 12.889 -4.172 1.00 0.00 H new ATOM 192 N LYS A 11 0.444 10.109 -5.675 1.00 0.00 N ATOM 193 CA LYS A 11 -0.227 8.826 -5.502 1.00 0.00 C ATOM 194 C LYS A 11 0.713 7.671 -5.834 1.00 0.00 C ATOM 195 O LYS A 11 1.648 7.825 -6.620 1.00 0.00 O ATOM 196 CB LYS A 11 -1.472 8.755 -6.388 1.00 0.00 C ATOM 197 CG LYS A 11 -2.457 7.678 -5.968 1.00 0.00 C ATOM 198 CD LYS A 11 -3.792 7.836 -6.677 1.00 0.00 C ATOM 199 CE LYS A 11 -3.766 7.205 -8.060 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.041 7.430 -8.796 1.00 0.00 N ATOM 0 H LYS A 11 0.602 10.374 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.526 8.739 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.975 9.722 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.165 8.573 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.040 6.696 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.609 7.723 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.579 7.375 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.036 8.895 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.937 7.621 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.584 6.134 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.836 7.602 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.647 6.590 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.531 8.255 -8.396 1.00 0.00 H new ATOM 214 N LEU A 12 0.458 6.516 -5.231 1.00 0.00 N ATOM 215 CA LEU A 12 1.280 5.333 -5.463 1.00 0.00 C ATOM 216 C LEU A 12 0.413 4.086 -5.606 1.00 0.00 C ATOM 217 O LEU A 12 -0.239 3.659 -4.653 1.00 0.00 O ATOM 218 CB LEU A 12 2.277 5.148 -4.318 1.00 0.00 C ATOM 219 CG LEU A 12 3.495 4.275 -4.623 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.438 4.991 -5.577 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.217 3.900 -3.337 1.00 0.00 C ATOM 0 H LEU A 12 -0.312 6.373 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 12 1.829 5.479 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.629 6.132 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.748 4.715 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 12 3.152 3.359 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.299 4.355 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.916 5.209 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.775 5.923 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.081 3.279 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.549 4.805 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.539 3.347 -2.687 1.00 0.00 H new ATOM 233 N PHE A 13 0.413 3.506 -6.801 1.00 0.00 N ATOM 234 CA PHE A 13 -0.373 2.307 -7.069 1.00 0.00 C ATOM 235 C PHE A 13 0.455 1.048 -6.822 1.00 0.00 C ATOM 236 O PHE A 13 1.377 0.740 -7.578 1.00 0.00 O ATOM 237 CB PHE A 13 -0.887 2.319 -8.510 1.00 0.00 C ATOM 238 CG PHE A 13 -1.131 0.947 -9.071 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.520 -0.095 -8.244 1.00 0.00 C ATOM 240 CD2 PHE A 13 -0.971 0.699 -10.424 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.746 -1.358 -8.757 1.00 0.00 C ATOM 242 CE2 PHE A 13 -1.196 -0.562 -10.943 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.582 -1.592 -10.108 1.00 0.00 C ATOM 0 H PHE A 13 0.948 3.847 -7.600 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.224 2.301 -6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.814 2.890 -8.552 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.165 2.838 -9.141 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.648 0.082 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.667 1.500 -11.081 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.050 -2.161 -8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.070 -0.742 -12.000 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.755 -2.579 -10.511 1.00 0.00 H new ATOM 253 N VAL A 14 0.119 0.325 -5.759 1.00 0.00 N ATOM 254 CA VAL A 14 0.830 -0.900 -5.412 1.00 0.00 C ATOM 255 C VAL A 14 0.252 -2.099 -6.155 1.00 0.00 C ATOM 256 O VAL A 14 -0.910 -2.459 -5.966 1.00 0.00 O ATOM 257 CB VAL A 14 0.773 -1.172 -3.897 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.712 -2.308 -3.523 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.111 0.089 -3.117 1.00 0.00 C ATOM 0 H VAL A 14 -0.641 0.566 -5.123 1.00 0.00 H new ATOM 0 HA VAL A 14 1.869 -0.758 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.242 -1.472 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.658 -2.486 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.419 -3.213 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.733 -2.041 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.066 -0.121 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.115 0.421 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.394 0.872 -3.363 1.00 0.00 H new ATOM 269 N GLY A 15 1.071 -2.716 -7.001 1.00 0.00 N ATOM 270 CA GLY A 15 0.624 -3.869 -7.760 1.00 0.00 C ATOM 271 C GLY A 15 1.324 -5.146 -7.340 1.00 0.00 C ATOM 272 O GLY A 15 2.540 -5.272 -7.482 1.00 0.00 O ATOM 0 H GLY A 15 2.037 -2.438 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.452 -3.989 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.802 -3.693 -8.821 1.00 0.00 H new ATOM 276 N GLY A 16 0.555 -6.098 -6.819 1.00 0.00 N ATOM 277 CA GLY A 16 1.127 -7.358 -6.383 1.00 0.00 C ATOM 278 C GLY A 16 0.782 -7.685 -4.944 1.00 0.00 C ATOM 279 O GLY A 16 1.286 -8.658 -4.382 1.00 0.00 O ATOM 0 H GLY A 16 -0.454 -6.019 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.769 -8.159 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.211 -7.319 -6.494 1.00 0.00 H new ATOM 283 N LEU A 17 -0.080 -6.871 -4.345 1.00 0.00 N ATOM 284 CA LEU A 17 -0.492 -7.077 -2.961 1.00 0.00 C ATOM 285 C LEU A 17 -0.996 -8.501 -2.749 1.00 0.00 C ATOM 286 O LEU A 17 -1.269 -9.223 -3.709 1.00 0.00 O ATOM 287 CB LEU A 17 -1.582 -6.075 -2.577 1.00 0.00 C ATOM 288 CG LEU A 17 -1.145 -4.613 -2.479 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.347 -3.712 -2.242 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.117 -4.437 -1.371 1.00 0.00 C ATOM 0 H LEU A 17 -0.507 -6.062 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 17 0.377 -6.920 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.386 -6.145 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.000 -6.374 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.683 -4.327 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.017 -2.675 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.049 -3.817 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.838 -3.997 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.183 -3.390 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.553 -4.741 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.756 -5.054 -1.584 1.00 0.00 H new ATOM 302 N ASP A 18 -1.121 -8.898 -1.488 1.00 0.00 N ATOM 303 CA ASP A 18 -1.597 -10.234 -1.150 1.00 0.00 C ATOM 304 C ASP A 18 -2.949 -10.168 -0.447 1.00 0.00 C ATOM 305 O ASP A 18 -3.226 -9.229 0.299 1.00 0.00 O ATOM 306 CB ASP A 18 -0.580 -10.951 -0.260 1.00 0.00 C ATOM 307 CG ASP A 18 -0.826 -12.445 -0.186 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.797 -12.853 0.485 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.048 -13.206 -0.799 1.00 0.00 O ATOM 0 H ASP A 18 -0.899 -8.313 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.717 -10.795 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.424 -10.770 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.620 -10.529 0.744 1.00 0.00 H new ATOM 314 N TRP A 19 -3.786 -11.170 -0.690 1.00 0.00 N ATOM 315 CA TRP A 19 -5.110 -11.225 -0.081 1.00 0.00 C ATOM 316 C TRP A 19 -5.033 -10.939 1.414 1.00 0.00 C ATOM 317 O TRP A 19 -5.964 -10.384 1.998 1.00 0.00 O ATOM 318 CB TRP A 19 -5.747 -12.595 -0.319 1.00 0.00 C ATOM 319 CG TRP A 19 -4.864 -13.738 0.081 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.869 -14.305 -0.664 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.898 -14.454 1.320 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.283 -15.330 0.038 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.895 -15.442 1.258 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.676 -14.356 2.476 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.653 -16.323 2.308 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.435 -15.232 3.518 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.430 -16.205 3.428 1.00 0.00 C ATOM 0 H TRP A 19 -3.571 -11.955 -1.304 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.729 -10.459 -0.547 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.682 -12.655 0.239 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.999 -12.692 -1.375 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.585 -13.993 -1.658 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.516 -15.914 -0.296 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.452 -13.609 2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.879 -17.073 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.031 -15.166 4.416 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.266 -16.875 4.259 1.00 0.00 H new ATOM 338 N SER A 20 -3.919 -11.321 2.029 1.00 0.00 N ATOM 339 CA SER A 20 -3.723 -11.109 3.459 1.00 0.00 C ATOM 340 C SER A 20 -3.385 -9.650 3.750 1.00 0.00 C ATOM 341 O SER A 20 -3.925 -9.048 4.678 1.00 0.00 O ATOM 342 CB SER A 20 -2.608 -12.017 3.983 1.00 0.00 C ATOM 343 OG SER A 20 -2.346 -11.764 5.352 1.00 0.00 O ATOM 0 H SER A 20 -3.138 -11.779 1.560 1.00 0.00 H new ATOM 0 HA SER A 20 -4.654 -11.357 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.892 -13.061 3.851 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.701 -11.858 3.400 1.00 0.00 H new ATOM 0 HG SER A 20 -1.631 -12.358 5.663 1.00 0.00 H new ATOM 349 N THR A 21 -2.486 -9.086 2.948 1.00 0.00 N ATOM 350 CA THR A 21 -2.074 -7.698 3.119 1.00 0.00 C ATOM 351 C THR A 21 -3.246 -6.826 3.554 1.00 0.00 C ATOM 352 O THR A 21 -4.349 -6.935 3.017 1.00 0.00 O ATOM 353 CB THR A 21 -1.478 -7.125 1.819 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.431 -7.979 1.343 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.933 -5.723 2.046 1.00 0.00 C ATOM 0 H THR A 21 -2.030 -9.569 2.174 1.00 0.00 H new ATOM 0 HA THR A 21 -1.310 -7.689 3.896 1.00 0.00 H new ATOM 0 HB THR A 21 -2.271 -7.073 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.145 -7.479 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.517 -5.339 1.114 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.738 -5.069 2.381 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.152 -5.755 2.806 1.00 0.00 H new ATOM 363 N THR A 22 -3.001 -5.959 4.532 1.00 0.00 N ATOM 364 CA THR A 22 -4.037 -5.068 5.040 1.00 0.00 C ATOM 365 C THR A 22 -3.656 -3.607 4.830 1.00 0.00 C ATOM 366 O THR A 22 -2.484 -3.283 4.643 1.00 0.00 O ATOM 367 CB THR A 22 -4.299 -5.308 6.539 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.069 -5.239 7.269 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.952 -6.663 6.763 1.00 0.00 C ATOM 0 H THR A 22 -2.094 -5.855 4.988 1.00 0.00 H new ATOM 0 HA THR A 22 -4.946 -5.288 4.480 1.00 0.00 H new ATOM 0 HB THR A 22 -4.976 -4.532 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.245 -5.391 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.128 -6.811 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.902 -6.702 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.295 -7.449 6.391 1.00 0.00 H new ATOM 377 N GLN A 23 -4.654 -2.729 4.864 1.00 0.00 N ATOM 378 CA GLN A 23 -4.422 -1.302 4.677 1.00 0.00 C ATOM 379 C GLN A 23 -3.579 -0.734 5.814 1.00 0.00 C ATOM 380 O GLN A 23 -2.724 0.123 5.597 1.00 0.00 O ATOM 381 CB GLN A 23 -5.754 -0.554 4.591 1.00 0.00 C ATOM 382 CG GLN A 23 -6.314 -0.471 3.181 1.00 0.00 C ATOM 383 CD GLN A 23 -7.705 0.131 3.140 1.00 0.00 C ATOM 384 OE1 GLN A 23 -7.866 1.345 3.014 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.721 -0.718 3.246 1.00 0.00 N ATOM 0 H GLN A 23 -5.630 -2.981 5.019 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.877 -1.168 3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.482 -1.050 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.620 0.455 4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.645 0.128 2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.342 -1.470 2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.542 -1.717 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.680 -0.371 3.224 1.00 0.00 H new ATOM 394 N GLU A 24 -3.828 -1.218 7.027 1.00 0.00 N ATOM 395 CA GLU A 24 -3.092 -0.757 8.199 1.00 0.00 C ATOM 396 C GLU A 24 -1.594 -0.996 8.029 1.00 0.00 C ATOM 397 O GLU A 24 -0.805 -0.052 7.969 1.00 0.00 O ATOM 398 CB GLU A 24 -3.594 -1.469 9.457 1.00 0.00 C ATOM 399 CG GLU A 24 -4.742 -0.750 10.145 1.00 0.00 C ATOM 400 CD GLU A 24 -4.288 0.482 10.903 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.228 0.417 11.560 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.993 1.511 10.840 1.00 0.00 O ATOM 0 H GLU A 24 -4.533 -1.928 7.224 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.262 0.314 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.914 -2.476 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.768 -1.573 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.483 -0.461 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.234 -1.436 10.835 1.00 0.00 H new ATOM 409 N THR A 25 -1.208 -2.266 7.952 1.00 0.00 N ATOM 410 CA THR A 25 0.194 -2.631 7.792 1.00 0.00 C ATOM 411 C THR A 25 0.787 -1.993 6.541 1.00 0.00 C ATOM 412 O THR A 25 1.925 -1.520 6.553 1.00 0.00 O ATOM 413 CB THR A 25 0.371 -4.158 7.709 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.156 -4.777 8.888 1.00 0.00 O ATOM 415 CG2 THR A 25 1.839 -4.525 7.550 1.00 0.00 C ATOM 0 H THR A 25 -1.847 -3.059 7.998 1.00 0.00 H new ATOM 0 HA THR A 25 0.720 -2.260 8.671 1.00 0.00 H new ATOM 0 HB THR A 25 -0.173 -4.518 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.041 -5.748 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.939 -5.609 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.229 -4.077 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.402 -4.153 8.406 1.00 0.00 H new ATOM 423 N LEU A 26 0.012 -1.983 5.463 1.00 0.00 N ATOM 424 CA LEU A 26 0.461 -1.402 4.202 1.00 0.00 C ATOM 425 C LEU A 26 0.841 0.064 4.383 1.00 0.00 C ATOM 426 O LEU A 26 1.840 0.529 3.834 1.00 0.00 O ATOM 427 CB LEU A 26 -0.633 -1.530 3.140 1.00 0.00 C ATOM 428 CG LEU A 26 -0.226 -1.171 1.711 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.895 -2.079 1.231 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.424 -1.260 0.777 1.00 0.00 C ATOM 0 H LEU A 26 -0.931 -2.371 5.436 1.00 0.00 H new ATOM 0 HA LEU A 26 1.344 -1.949 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.998 -2.557 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.469 -0.893 3.429 1.00 0.00 H new ATOM 0 HG LEU A 26 0.139 -0.144 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.171 -1.808 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.760 -1.965 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.558 -3.115 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.116 -1.001 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.819 -2.276 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.197 -0.567 1.109 1.00 0.00 H new ATOM 442 N ARG A 27 0.039 0.787 5.158 1.00 0.00 N ATOM 443 CA ARG A 27 0.292 2.200 5.412 1.00 0.00 C ATOM 444 C ARG A 27 1.710 2.413 5.933 1.00 0.00 C ATOM 445 O ARG A 27 2.477 3.196 5.372 1.00 0.00 O ATOM 446 CB ARG A 27 -0.720 2.748 6.419 1.00 0.00 C ATOM 447 CG ARG A 27 -2.053 3.131 5.796 1.00 0.00 C ATOM 448 CD ARG A 27 -3.174 3.111 6.823 1.00 0.00 C ATOM 449 NE ARG A 27 -3.327 4.399 7.493 1.00 0.00 N ATOM 450 CZ ARG A 27 -2.605 4.770 8.545 1.00 0.00 C ATOM 451 NH1 ARG A 27 -1.687 3.955 9.044 1.00 0.00 N ATOM 452 NH2 ARG A 27 -2.802 5.959 9.100 1.00 0.00 N ATOM 0 H ARG A 27 -0.791 0.417 5.621 1.00 0.00 H new ATOM 0 HA ARG A 27 0.185 2.738 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.892 2.000 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.294 3.622 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.978 4.126 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.288 2.442 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.110 2.845 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.972 2.338 7.565 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.026 5.049 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.533 3.040 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.134 4.243 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.508 6.589 8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.247 6.243 9.908 1.00 0.00 H new ATOM 466 N SER A 28 2.052 1.712 7.009 1.00 0.00 N ATOM 467 CA SER A 28 3.376 1.827 7.609 1.00 0.00 C ATOM 468 C SER A 28 4.459 1.412 6.618 1.00 0.00 C ATOM 469 O SER A 28 5.365 2.187 6.310 1.00 0.00 O ATOM 470 CB SER A 28 3.465 0.966 8.870 1.00 0.00 C ATOM 471 OG SER A 28 2.985 1.669 10.003 1.00 0.00 O ATOM 0 H SER A 28 1.430 1.058 7.484 1.00 0.00 H new ATOM 0 HA SER A 28 3.536 2.871 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.886 0.053 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.499 0.665 9.036 1.00 0.00 H new ATOM 0 HG SER A 28 3.051 1.096 10.795 1.00 0.00 H new ATOM 477 N TYR A 29 4.358 0.184 6.122 1.00 0.00 N ATOM 478 CA TYR A 29 5.330 -0.337 5.168 1.00 0.00 C ATOM 479 C TYR A 29 5.797 0.758 4.213 1.00 0.00 C ATOM 480 O TYR A 29 6.982 0.856 3.894 1.00 0.00 O ATOM 481 CB TYR A 29 4.726 -1.497 4.375 1.00 0.00 C ATOM 482 CG TYR A 29 5.716 -2.188 3.465 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.641 -3.093 3.971 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.725 -1.937 2.098 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.547 -3.727 3.143 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.627 -2.567 1.262 1.00 0.00 C ATOM 487 CZ TYR A 29 7.536 -3.461 1.789 1.00 0.00 C ATOM 488 OH TYR A 29 8.437 -4.090 0.961 1.00 0.00 O ATOM 0 H TYR A 29 3.613 -0.469 6.365 1.00 0.00 H new ATOM 0 HA TYR A 29 6.193 -0.698 5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.315 -2.227 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.895 -1.124 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.652 -3.304 5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.015 -1.238 1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.260 -4.427 3.553 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.620 -2.361 0.202 1.00 0.00 H new ATOM 0 HH TYR A 29 8.768 -4.904 1.396 1.00 0.00 H new ATOM 498 N PHE A 30 4.856 1.580 3.761 1.00 0.00 N ATOM 499 CA PHE A 30 5.168 2.669 2.843 1.00 0.00 C ATOM 500 C PHE A 30 5.497 3.948 3.607 1.00 0.00 C ATOM 501 O PHE A 30 6.304 4.762 3.158 1.00 0.00 O ATOM 502 CB PHE A 30 3.994 2.916 1.893 1.00 0.00 C ATOM 503 CG PHE A 30 3.997 2.018 0.690 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.890 2.231 -0.349 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.107 0.960 0.596 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.895 1.405 -1.457 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.108 0.132 -0.510 1.00 0.00 C ATOM 508 CZ PHE A 30 4.002 0.355 -1.538 1.00 0.00 C ATOM 0 H PHE A 30 3.871 1.513 4.016 1.00 0.00 H new ATOM 0 HA PHE A 30 6.043 2.380 2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.060 2.777 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.018 3.954 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.590 3.052 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.405 0.781 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.597 1.581 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.410 -0.690 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.003 -0.291 -2.404 1.00 0.00 H new ATOM 518 N SER A 31 4.866 4.117 4.764 1.00 0.00 N ATOM 519 CA SER A 31 5.088 5.299 5.590 1.00 0.00 C ATOM 520 C SER A 31 6.579 5.537 5.809 1.00 0.00 C ATOM 521 O SER A 31 7.049 6.673 5.763 1.00 0.00 O ATOM 522 CB SER A 31 4.381 5.145 6.938 1.00 0.00 C ATOM 523 OG SER A 31 5.221 4.506 7.884 1.00 0.00 O ATOM 0 H SER A 31 4.197 3.451 5.151 1.00 0.00 H new ATOM 0 HA SER A 31 4.674 6.161 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.087 6.126 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.467 4.566 6.809 1.00 0.00 H new ATOM 0 HG SER A 31 5.497 3.632 7.538 1.00 0.00 H new ATOM 529 N GLN A 32 7.315 4.457 6.047 1.00 0.00 N ATOM 530 CA GLN A 32 8.753 4.548 6.273 1.00 0.00 C ATOM 531 C GLN A 32 9.429 5.350 5.166 1.00 0.00 C ATOM 532 O GLN A 32 10.478 5.958 5.379 1.00 0.00 O ATOM 533 CB GLN A 32 9.367 3.149 6.354 1.00 0.00 C ATOM 534 CG GLN A 32 8.797 2.175 5.336 1.00 0.00 C ATOM 535 CD GLN A 32 9.783 1.089 4.952 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.894 1.373 4.504 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.381 -0.165 5.127 1.00 0.00 N ATOM 0 H GLN A 32 6.940 3.509 6.088 1.00 0.00 H new ATOM 0 HA GLN A 32 8.915 5.064 7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.444 3.225 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.209 2.749 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.896 1.715 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.499 2.723 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.451 -0.355 5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.002 -0.938 4.887 1.00 0.00 H new ATOM 546 N TYR A 33 8.821 5.347 3.985 1.00 0.00 N ATOM 547 CA TYR A 33 9.366 6.072 2.844 1.00 0.00 C ATOM 548 C TYR A 33 8.784 7.480 2.765 1.00 0.00 C ATOM 549 O TYR A 33 9.518 8.462 2.659 1.00 0.00 O ATOM 550 CB TYR A 33 9.076 5.315 1.546 1.00 0.00 C ATOM 551 CG TYR A 33 9.695 3.937 1.498 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.013 2.830 1.988 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.963 3.741 0.964 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.575 1.569 1.947 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.532 2.483 0.917 1.00 0.00 C ATOM 556 CZ TYR A 33 10.834 1.400 1.410 1.00 0.00 C ATOM 557 OH TYR A 33 11.398 0.146 1.367 1.00 0.00 O ATOM 0 H TYR A 33 7.951 4.851 3.793 1.00 0.00 H new ATOM 0 HA TYR A 33 10.445 6.151 2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.997 5.224 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.446 5.900 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.026 2.958 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.513 4.587 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.031 0.720 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.518 2.348 0.497 1.00 0.00 H new ATOM 0 HH TYR A 33 12.287 0.201 0.958 1.00 0.00 H new ATOM 567 N GLY A 34 7.459 7.570 2.818 1.00 0.00 N ATOM 568 CA GLY A 34 6.799 8.861 2.752 1.00 0.00 C ATOM 569 C GLY A 34 5.577 8.934 3.644 1.00 0.00 C ATOM 570 O GLY A 34 4.864 7.945 3.813 1.00 0.00 O ATOM 0 H GLY A 34 6.830 6.772 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.503 9.641 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.506 9.063 1.722 1.00 0.00 H new ATOM 574 N GLU A 35 5.334 10.108 4.219 1.00 0.00 N ATOM 575 CA GLU A 35 4.190 10.304 5.101 1.00 0.00 C ATOM 576 C GLU A 35 2.893 9.892 4.411 1.00 0.00 C ATOM 577 O GLU A 35 2.340 10.642 3.606 1.00 0.00 O ATOM 578 CB GLU A 35 4.103 11.766 5.543 1.00 0.00 C ATOM 579 CG GLU A 35 2.747 12.152 6.109 1.00 0.00 C ATOM 580 CD GLU A 35 2.840 13.247 7.153 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.686 14.151 6.992 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.065 13.200 8.132 1.00 0.00 O ATOM 0 H GLU A 35 5.914 10.937 4.090 1.00 0.00 H new ATOM 0 HA GLU A 35 4.330 9.674 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.868 11.955 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.328 12.408 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.100 12.484 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.279 11.273 6.551 1.00 0.00 H new ATOM 589 N VAL A 36 2.413 8.695 4.731 1.00 0.00 N ATOM 590 CA VAL A 36 1.181 8.182 4.143 1.00 0.00 C ATOM 591 C VAL A 36 -0.013 9.046 4.530 1.00 0.00 C ATOM 592 O VAL A 36 -0.291 9.248 5.712 1.00 0.00 O ATOM 593 CB VAL A 36 0.913 6.730 4.578 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.434 6.255 4.055 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.032 5.816 4.101 1.00 0.00 C ATOM 0 H VAL A 36 2.859 8.062 5.395 1.00 0.00 H new ATOM 0 HA VAL A 36 1.311 8.210 3.061 1.00 0.00 H new ATOM 0 HB VAL A 36 0.885 6.695 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.606 5.227 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.224 6.894 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.439 6.304 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.826 4.793 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.094 5.854 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.978 6.145 4.530 1.00 0.00 H new ATOM 605 N VAL A 37 -0.719 9.555 3.525 1.00 0.00 N ATOM 606 CA VAL A 37 -1.886 10.397 3.759 1.00 0.00 C ATOM 607 C VAL A 37 -3.171 9.577 3.722 1.00 0.00 C ATOM 608 O VAL A 37 -4.090 9.808 4.509 1.00 0.00 O ATOM 609 CB VAL A 37 -1.982 11.527 2.717 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.861 12.657 3.233 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.595 12.041 2.360 1.00 0.00 C ATOM 0 H VAL A 37 -0.503 9.399 2.541 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.766 10.836 4.749 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.441 11.126 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.917 13.446 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.862 12.276 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.434 13.059 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.681 12.839 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.108 12.426 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.001 11.227 1.945 1.00 0.00 H new ATOM 621 N ASP A 38 -3.229 8.619 2.805 1.00 0.00 N ATOM 622 CA ASP A 38 -4.401 7.763 2.666 1.00 0.00 C ATOM 623 C ASP A 38 -4.045 6.467 1.944 1.00 0.00 C ATOM 624 O ASP A 38 -3.477 6.489 0.852 1.00 0.00 O ATOM 625 CB ASP A 38 -5.508 8.496 1.907 1.00 0.00 C ATOM 626 CG ASP A 38 -6.893 8.020 2.300 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.173 7.950 3.514 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.696 7.717 1.393 1.00 0.00 O ATOM 0 H ASP A 38 -2.478 8.415 2.146 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.759 7.515 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.427 9.566 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.368 8.351 0.836 1.00 0.00 H new ATOM 633 N CYS A 39 -4.382 5.340 2.562 1.00 0.00 N ATOM 634 CA CYS A 39 -4.096 4.034 1.979 1.00 0.00 C ATOM 635 C CYS A 39 -5.386 3.316 1.593 1.00 0.00 C ATOM 636 O CYS A 39 -6.398 3.422 2.285 1.00 0.00 O ATOM 637 CB CYS A 39 -3.296 3.178 2.962 1.00 0.00 C ATOM 638 SG CYS A 39 -2.929 1.512 2.361 1.00 0.00 S ATOM 0 H CYS A 39 -4.853 5.305 3.466 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.504 4.188 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.358 3.685 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.852 3.101 3.896 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.716 1.187 2.698 1.00 0.00 H new ATOM 644 N VAL A 40 -5.342 2.588 0.482 1.00 0.00 N ATOM 645 CA VAL A 40 -6.507 1.853 0.004 1.00 0.00 C ATOM 646 C VAL A 40 -6.108 0.486 -0.541 1.00 0.00 C ATOM 647 O VAL A 40 -5.048 0.333 -1.148 1.00 0.00 O ATOM 648 CB VAL A 40 -7.250 2.635 -1.095 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.569 1.956 -1.435 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.479 4.075 -0.662 1.00 0.00 C ATOM 0 H VAL A 40 -4.513 2.491 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.171 1.720 0.858 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.631 2.643 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.080 2.523 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.376 0.944 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.197 1.914 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.005 4.613 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.077 4.090 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.519 4.555 -0.474 1.00 0.00 H new ATOM 660 N ILE A 41 -6.965 -0.505 -0.321 1.00 0.00 N ATOM 661 CA ILE A 41 -6.703 -1.860 -0.792 1.00 0.00 C ATOM 662 C ILE A 41 -7.924 -2.442 -1.497 1.00 0.00 C ATOM 663 O ILE A 41 -8.880 -2.870 -0.853 1.00 0.00 O ATOM 664 CB ILE A 41 -6.302 -2.791 0.368 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.921 -2.408 0.903 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.315 -4.242 -0.090 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.418 -3.330 1.992 1.00 0.00 C ATOM 0 H ILE A 41 -7.847 -0.396 0.180 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.875 -1.795 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.027 -2.678 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.208 -2.409 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.960 -1.390 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.030 -4.888 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.316 -4.508 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.608 -4.371 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.434 -2.998 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.110 -3.311 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.347 -4.346 1.604 1.00 0.00 H new ATOM 679 N MET A 42 -7.881 -2.456 -2.826 1.00 0.00 N ATOM 680 CA MET A 42 -8.982 -2.989 -3.619 1.00 0.00 C ATOM 681 C MET A 42 -9.339 -4.404 -3.174 1.00 0.00 C ATOM 682 O MET A 42 -8.465 -5.258 -3.026 1.00 0.00 O ATOM 683 CB MET A 42 -8.616 -2.987 -5.105 1.00 0.00 C ATOM 684 CG MET A 42 -8.286 -1.606 -5.647 1.00 0.00 C ATOM 685 SD MET A 42 -9.748 -0.708 -6.200 1.00 0.00 S ATOM 686 CE MET A 42 -9.990 0.421 -4.830 1.00 0.00 C ATOM 0 H MET A 42 -7.096 -2.105 -3.375 1.00 0.00 H new ATOM 0 HA MET A 42 -9.851 -2.349 -3.464 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.760 -3.644 -5.261 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.446 -3.404 -5.676 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.781 -1.028 -4.873 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.588 -1.704 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.044 0.689 -4.762 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.677 -0.059 -3.903 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.396 1.321 -4.991 1.00 0.00 H new ATOM 696 N LYS A 43 -10.628 -4.645 -2.960 1.00 0.00 N ATOM 697 CA LYS A 43 -11.101 -5.956 -2.532 1.00 0.00 C ATOM 698 C LYS A 43 -12.155 -6.495 -3.494 1.00 0.00 C ATOM 699 O LYS A 43 -12.726 -5.746 -4.287 1.00 0.00 O ATOM 700 CB LYS A 43 -11.680 -5.875 -1.118 1.00 0.00 C ATOM 701 CG LYS A 43 -10.643 -6.062 -0.024 1.00 0.00 C ATOM 702 CD LYS A 43 -11.016 -5.299 1.235 1.00 0.00 C ATOM 703 CE LYS A 43 -9.853 -5.236 2.214 1.00 0.00 C ATOM 704 NZ LYS A 43 -10.104 -4.262 3.312 1.00 0.00 N ATOM 0 H LYS A 43 -11.364 -3.949 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.251 -6.639 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.163 -4.907 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.454 -6.635 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.545 -7.123 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.671 -5.723 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.326 -4.288 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.870 -5.779 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.682 -6.225 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.944 -4.956 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.289 -4.249 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.242 -3.313 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.957 -4.543 3.837 1.00 0.00 H new ATOM 718 N ASP A 44 -12.409 -7.796 -3.417 1.00 0.00 N ATOM 719 CA ASP A 44 -13.397 -8.435 -4.280 1.00 0.00 C ATOM 720 C ASP A 44 -14.743 -7.723 -4.184 1.00 0.00 C ATOM 721 O ASP A 44 -14.933 -6.842 -3.345 1.00 0.00 O ATOM 722 CB ASP A 44 -13.557 -9.909 -3.904 1.00 0.00 C ATOM 723 CG ASP A 44 -14.467 -10.654 -4.860 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.372 -10.411 -6.080 1.00 0.00 O ATOM 725 OD2 ASP A 44 -15.275 -11.481 -4.387 1.00 0.00 O ATOM 0 H ASP A 44 -11.945 -8.430 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.043 -8.367 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.577 -10.387 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.959 -9.982 -2.893 1.00 0.00 H new ATOM 730 N LYS A 45 -15.674 -8.111 -5.049 1.00 0.00 N ATOM 731 CA LYS A 45 -17.003 -7.512 -5.062 1.00 0.00 C ATOM 732 C LYS A 45 -17.934 -8.229 -4.090 1.00 0.00 C ATOM 733 O LYS A 45 -18.950 -7.678 -3.665 1.00 0.00 O ATOM 734 CB LYS A 45 -17.591 -7.557 -6.474 1.00 0.00 C ATOM 735 CG LYS A 45 -17.528 -8.932 -7.116 1.00 0.00 C ATOM 736 CD LYS A 45 -16.274 -9.098 -7.958 1.00 0.00 C ATOM 737 CE LYS A 45 -16.517 -8.693 -9.404 1.00 0.00 C ATOM 738 NZ LYS A 45 -16.239 -7.248 -9.630 1.00 0.00 N ATOM 0 H LYS A 45 -15.532 -8.838 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.908 -6.473 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.630 -7.230 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.056 -6.846 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.551 -9.698 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -18.409 -9.084 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.470 -8.492 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.944 -10.136 -7.920 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.884 -9.291 -10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.551 -8.910 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.117 -7.073 -10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.036 -6.682 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.370 -6.979 -9.126 1.00 0.00 H new ATOM 752 N THR A 46 -17.579 -9.461 -3.738 1.00 0.00 N ATOM 753 CA THR A 46 -18.382 -10.253 -2.815 1.00 0.00 C ATOM 754 C THR A 46 -17.547 -10.734 -1.634 1.00 0.00 C ATOM 755 O THR A 46 -17.839 -10.413 -0.481 1.00 0.00 O ATOM 756 CB THR A 46 -19.006 -11.473 -3.518 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.918 -11.040 -4.533 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.735 -12.359 -2.519 1.00 0.00 C ATOM 0 H THR A 46 -16.741 -9.932 -4.078 1.00 0.00 H new ATOM 0 HA THR A 46 -19.180 -9.604 -2.453 1.00 0.00 H new ATOM 0 HB THR A 46 -18.203 -12.052 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.309 -11.822 -4.976 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.167 -13.214 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.032 -12.711 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.529 -11.788 -2.038 1.00 0.00 H new ATOM 766 N THR A 47 -16.505 -11.507 -1.926 1.00 0.00 N ATOM 767 CA THR A 47 -15.628 -12.033 -0.888 1.00 0.00 C ATOM 768 C THR A 47 -14.986 -10.906 -0.087 1.00 0.00 C ATOM 769 O THR A 47 -14.402 -11.138 0.970 1.00 0.00 O ATOM 770 CB THR A 47 -14.519 -12.919 -1.486 1.00 0.00 C ATOM 771 OG1 THR A 47 -15.065 -13.772 -2.498 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.860 -13.764 -0.406 1.00 0.00 C ATOM 0 H THR A 47 -16.248 -11.782 -2.874 1.00 0.00 H new ATOM 0 HA THR A 47 -16.249 -12.637 -0.226 1.00 0.00 H new ATOM 0 HB THR A 47 -13.764 -12.268 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.102 -13.288 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.080 -14.381 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.419 -13.112 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.608 -14.405 0.061 1.00 0.00 H new ATOM 780 N ASN A 48 -15.100 -9.684 -0.599 1.00 0.00 N ATOM 781 CA ASN A 48 -14.530 -8.520 0.070 1.00 0.00 C ATOM 782 C ASN A 48 -13.104 -8.802 0.533 1.00 0.00 C ATOM 783 O ASN A 48 -12.718 -8.437 1.643 1.00 0.00 O ATOM 784 CB ASN A 48 -15.396 -8.118 1.266 1.00 0.00 C ATOM 785 CG ASN A 48 -16.856 -7.950 0.891 1.00 0.00 C ATOM 786 OD1 ASN A 48 -17.180 -7.561 -0.231 1.00 0.00 O ATOM 787 ND2 ASN A 48 -17.746 -8.243 1.833 1.00 0.00 N ATOM 0 H ASN A 48 -15.581 -9.475 -1.474 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.505 -7.698 -0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.308 -8.875 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.021 -7.184 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.743 -8.149 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.432 -8.562 2.750 1.00 0.00 H new ATOM 794 N GLN A 49 -12.327 -9.454 -0.326 1.00 0.00 N ATOM 795 CA GLN A 49 -10.944 -9.785 -0.005 1.00 0.00 C ATOM 796 C GLN A 49 -9.981 -9.080 -0.954 1.00 0.00 C ATOM 797 O GLN A 49 -10.225 -9.003 -2.158 1.00 0.00 O ATOM 798 CB GLN A 49 -10.730 -11.298 -0.074 1.00 0.00 C ATOM 799 CG GLN A 49 -11.107 -12.025 1.207 1.00 0.00 C ATOM 800 CD GLN A 49 -10.289 -13.281 1.427 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.092 -13.316 1.138 1.00 0.00 O ATOM 802 NE2 GLN A 49 -10.930 -14.323 1.943 1.00 0.00 N ATOM 0 H GLN A 49 -12.632 -9.763 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.741 -9.442 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.318 -11.702 -0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.683 -11.498 -0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.970 -11.354 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.165 -12.286 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.922 -14.251 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.430 -15.195 2.114 1.00 0.00 H new ATOM 811 N SER A 50 -8.886 -8.565 -0.404 1.00 0.00 N ATOM 812 CA SER A 50 -7.888 -7.862 -1.201 1.00 0.00 C ATOM 813 C SER A 50 -7.491 -8.684 -2.423 1.00 0.00 C ATOM 814 O SER A 50 -6.790 -9.689 -2.308 1.00 0.00 O ATOM 815 CB SER A 50 -6.651 -7.556 -0.354 1.00 0.00 C ATOM 816 OG SER A 50 -5.677 -6.855 -1.108 1.00 0.00 O ATOM 0 H SER A 50 -8.668 -8.622 0.591 1.00 0.00 H new ATOM 0 HA SER A 50 -8.327 -6.924 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.939 -6.964 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.224 -8.486 0.022 1.00 0.00 H new ATOM 0 HG SER A 50 -4.897 -6.670 -0.544 1.00 0.00 H new ATOM 822 N ARG A 51 -7.945 -8.249 -3.594 1.00 0.00 N ATOM 823 CA ARG A 51 -7.640 -8.945 -4.838 1.00 0.00 C ATOM 824 C ARG A 51 -6.132 -9.073 -5.033 1.00 0.00 C ATOM 825 O ARG A 51 -5.642 -10.096 -5.510 1.00 0.00 O ATOM 826 CB ARG A 51 -8.257 -8.204 -6.026 1.00 0.00 C ATOM 827 CG ARG A 51 -9.727 -8.523 -6.245 1.00 0.00 C ATOM 828 CD ARG A 51 -10.466 -7.346 -6.864 1.00 0.00 C ATOM 829 NE ARG A 51 -10.348 -7.330 -8.319 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.188 -6.680 -9.117 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.201 -5.996 -8.603 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.014 -6.712 -10.432 1.00 0.00 N ATOM 0 H ARG A 51 -8.525 -7.418 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.068 -9.946 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.146 -7.131 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.701 -8.455 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.819 -9.394 -6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.189 -8.785 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.519 -7.392 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.070 -6.415 -6.458 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.579 -7.846 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.337 -5.968 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.844 -5.498 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.235 -7.236 -10.831 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.659 -6.213 -11.044 1.00 0.00 H new ATOM 846 N GLY A 52 -5.401 -8.026 -4.661 1.00 0.00 N ATOM 847 CA GLY A 52 -3.957 -8.042 -4.804 1.00 0.00 C ATOM 848 C GLY A 52 -3.412 -6.731 -5.334 1.00 0.00 C ATOM 849 O GLY A 52 -2.421 -6.711 -6.064 1.00 0.00 O ATOM 0 H GLY A 52 -5.783 -7.168 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.502 -8.257 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.671 -8.850 -5.478 1.00 0.00 H new ATOM 853 N PHE A 53 -4.062 -5.631 -4.968 1.00 0.00 N ATOM 854 CA PHE A 53 -3.639 -4.308 -5.414 1.00 0.00 C ATOM 855 C PHE A 53 -4.432 -3.215 -4.704 1.00 0.00 C ATOM 856 O PHE A 53 -5.562 -3.434 -4.272 1.00 0.00 O ATOM 857 CB PHE A 53 -3.812 -4.178 -6.929 1.00 0.00 C ATOM 858 CG PHE A 53 -5.224 -4.400 -7.392 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.720 -5.683 -7.555 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.054 -3.325 -7.663 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.018 -5.889 -7.981 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.354 -3.525 -8.090 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.837 -4.809 -8.248 1.00 0.00 C ATOM 0 H PHE A 53 -4.884 -5.629 -4.364 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.585 -4.187 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.488 -3.185 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.158 -4.896 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.085 -6.532 -7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.682 -2.319 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.392 -6.894 -8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.991 -2.678 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.852 -4.968 -8.579 1.00 0.00 H new ATOM 873 N GLY A 54 -3.829 -2.036 -4.588 1.00 0.00 N ATOM 874 CA GLY A 54 -4.492 -0.925 -3.929 1.00 0.00 C ATOM 875 C GLY A 54 -3.903 0.416 -4.319 1.00 0.00 C ATOM 876 O GLY A 54 -3.589 0.648 -5.487 1.00 0.00 O ATOM 0 H GLY A 54 -2.893 -1.830 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.553 -0.939 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.418 -1.051 -2.849 1.00 0.00 H new ATOM 880 N PHE A 55 -3.753 1.302 -3.340 1.00 0.00 N ATOM 881 CA PHE A 55 -3.200 2.628 -3.587 1.00 0.00 C ATOM 882 C PHE A 55 -2.601 3.214 -2.312 1.00 0.00 C ATOM 883 O PHE A 55 -2.889 2.751 -1.208 1.00 0.00 O ATOM 884 CB PHE A 55 -4.283 3.562 -4.132 1.00 0.00 C ATOM 885 CG PHE A 55 -4.791 3.163 -5.488 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.865 2.296 -5.612 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.197 3.656 -6.638 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.334 1.927 -6.858 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.662 3.291 -7.887 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.733 2.426 -7.997 1.00 0.00 C ATOM 0 H PHE A 55 -4.007 1.125 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.407 2.531 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.118 3.584 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.885 4.575 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.341 1.905 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.360 4.334 -6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.170 1.249 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.189 3.682 -8.776 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.100 2.140 -8.972 1.00 0.00 H new ATOM 900 N VAL A 56 -1.767 4.236 -2.472 1.00 0.00 N ATOM 901 CA VAL A 56 -1.128 4.887 -1.335 1.00 0.00 C ATOM 902 C VAL A 56 -0.818 6.348 -1.640 1.00 0.00 C ATOM 903 O VAL A 56 -0.076 6.656 -2.573 1.00 0.00 O ATOM 904 CB VAL A 56 0.176 4.170 -0.938 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.888 4.930 0.172 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.111 2.738 -0.514 1.00 0.00 C ATOM 0 H VAL A 56 -1.518 4.631 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.832 4.834 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 56 0.833 4.143 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.807 4.408 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.129 5.936 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.239 4.991 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.822 2.247 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.788 2.740 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.573 2.199 -1.341 1.00 0.00 H new ATOM 916 N LYS A 57 -1.392 7.247 -0.847 1.00 0.00 N ATOM 917 CA LYS A 57 -1.177 8.677 -1.030 1.00 0.00 C ATOM 918 C LYS A 57 0.003 9.162 -0.194 1.00 0.00 C ATOM 919 O LYS A 57 0.330 8.573 0.837 1.00 0.00 O ATOM 920 CB LYS A 57 -2.439 9.456 -0.650 1.00 0.00 C ATOM 921 CG LYS A 57 -2.612 10.750 -1.427 1.00 0.00 C ATOM 922 CD LYS A 57 -3.777 11.568 -0.895 1.00 0.00 C ATOM 923 CE LYS A 57 -3.833 12.943 -1.541 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.355 12.881 -2.934 1.00 0.00 N ATOM 0 H LYS A 57 -2.010 7.010 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.951 8.853 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.311 8.823 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.409 9.683 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.696 11.337 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.776 10.524 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.711 11.038 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.684 11.676 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.467 13.599 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.836 13.383 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.378 13.839 -3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.736 12.276 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.317 12.485 -2.927 1.00 0.00 H new ATOM 938 N PHE A 58 0.638 10.239 -0.643 1.00 0.00 N ATOM 939 CA PHE A 58 1.782 10.803 0.064 1.00 0.00 C ATOM 940 C PHE A 58 1.641 12.315 0.208 1.00 0.00 C ATOM 941 O PHE A 58 1.356 13.019 -0.762 1.00 0.00 O ATOM 942 CB PHE A 58 3.080 10.468 -0.673 1.00 0.00 C ATOM 943 CG PHE A 58 3.549 9.058 -0.451 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.323 8.737 0.652 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.215 8.054 -1.346 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.756 7.441 0.858 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.645 6.756 -1.145 1.00 0.00 C ATOM 948 CZ PHE A 58 4.416 6.449 -0.041 1.00 0.00 C ATOM 0 H PHE A 58 0.380 10.739 -1.494 1.00 0.00 H new ATOM 0 HA PHE A 58 1.814 10.363 1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.934 10.630 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.860 11.157 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.591 9.508 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.612 8.289 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.360 7.204 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.378 5.983 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.752 5.435 0.119 1.00 0.00 H new ATOM 958 N LYS A 59 1.843 12.809 1.425 1.00 0.00 N ATOM 959 CA LYS A 59 1.739 14.238 1.698 1.00 0.00 C ATOM 960 C LYS A 59 2.471 15.050 0.633 1.00 0.00 C ATOM 961 O LYS A 59 2.009 16.116 0.226 1.00 0.00 O ATOM 962 CB LYS A 59 2.313 14.557 3.080 1.00 0.00 C ATOM 963 CG LYS A 59 1.825 15.876 3.652 1.00 0.00 C ATOM 964 CD LYS A 59 1.918 15.896 5.168 1.00 0.00 C ATOM 965 CE LYS A 59 1.745 17.303 5.719 1.00 0.00 C ATOM 966 NZ LYS A 59 2.984 18.115 5.566 1.00 0.00 N ATOM 0 H LYS A 59 2.080 12.241 2.238 1.00 0.00 H new ATOM 0 HA LYS A 59 0.684 14.511 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.050 13.753 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.401 14.579 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.417 16.693 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.792 16.045 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.154 15.243 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.884 15.498 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.921 17.796 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.474 17.249 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.836 19.056 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.772 17.640 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.210 18.217 4.556 1.00 0.00 H new ATOM 980 N ASP A 60 3.611 14.537 0.185 1.00 0.00 N ATOM 981 CA ASP A 60 4.405 15.214 -0.835 1.00 0.00 C ATOM 982 C ASP A 60 4.555 14.339 -2.075 1.00 0.00 C ATOM 983 O ASP A 60 4.736 13.124 -1.990 1.00 0.00 O ATOM 984 CB ASP A 60 5.783 15.576 -0.281 1.00 0.00 C ATOM 985 CG ASP A 60 6.364 16.814 -0.937 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.797 17.910 -0.743 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.385 16.687 -1.645 1.00 0.00 O ATOM 0 H ASP A 60 4.007 13.655 0.511 1.00 0.00 H new ATOM 0 HA ASP A 60 3.885 16.129 -1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.708 15.739 0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.463 14.737 -0.429 1.00 0.00 H new ATOM 992 N PRO A 61 4.478 14.968 -3.257 1.00 0.00 N ATOM 993 CA PRO A 61 4.602 14.266 -4.538 1.00 0.00 C ATOM 994 C PRO A 61 6.020 13.763 -4.788 1.00 0.00 C ATOM 995 O PRO A 61 6.304 13.171 -5.828 1.00 0.00 O ATOM 996 CB PRO A 61 4.225 15.335 -5.567 1.00 0.00 C ATOM 997 CG PRO A 61 4.533 16.630 -4.898 1.00 0.00 C ATOM 998 CD PRO A 61 4.264 16.414 -3.434 1.00 0.00 C ATOM 0 HA PRO A 61 3.973 13.376 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.798 15.219 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.171 15.270 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.571 16.919 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.911 17.432 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.940 16.999 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.249 16.706 -3.165 1.00 0.00 H new ATOM 1006 N ASN A 62 6.906 14.003 -3.827 1.00 0.00 N ATOM 1007 CA ASN A 62 8.295 13.573 -3.943 1.00 0.00 C ATOM 1008 C ASN A 62 8.491 12.192 -3.326 1.00 0.00 C ATOM 1009 O ASN A 62 9.407 11.458 -3.700 1.00 0.00 O ATOM 1010 CB ASN A 62 9.222 14.584 -3.264 1.00 0.00 C ATOM 1011 CG ASN A 62 10.633 14.536 -3.816 1.00 0.00 C ATOM 1012 OD1 ASN A 62 10.997 15.322 -4.691 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.436 13.609 -3.306 1.00 0.00 N ATOM 0 H ASN A 62 6.687 14.493 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 62 8.544 13.516 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.818 15.588 -3.394 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.247 14.387 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.397 13.528 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.092 12.978 -2.582 1.00 0.00 H new ATOM 1020 N CYS A 63 7.626 11.845 -2.380 1.00 0.00 N ATOM 1021 CA CYS A 63 7.704 10.552 -1.710 1.00 0.00 C ATOM 1022 C CYS A 63 7.527 9.411 -2.707 1.00 0.00 C ATOM 1023 O CYS A 63 8.198 8.383 -2.616 1.00 0.00 O ATOM 1024 CB CYS A 63 6.641 10.456 -0.614 1.00 0.00 C ATOM 1025 SG CYS A 63 6.909 11.583 0.774 1.00 0.00 S ATOM 0 H CYS A 63 6.863 12.441 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 63 8.692 10.465 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.664 10.661 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.614 9.433 -0.238 1.00 0.00 H new ATOM 0 HG CYS A 63 5.859 11.585 1.540 1.00 0.00 H new ATOM 1031 N VAL A 64 6.618 9.599 -3.658 1.00 0.00 N ATOM 1032 CA VAL A 64 6.352 8.586 -4.673 1.00 0.00 C ATOM 1033 C VAL A 64 7.646 8.105 -5.321 1.00 0.00 C ATOM 1034 O VAL A 64 7.947 6.913 -5.320 1.00 0.00 O ATOM 1035 CB VAL A 64 5.411 9.122 -5.768 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.147 8.052 -6.816 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.107 9.613 -5.155 1.00 0.00 C ATOM 0 H VAL A 64 6.053 10.444 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 64 5.869 7.750 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 64 5.896 9.966 -6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.480 8.449 -7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.089 7.752 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.682 7.187 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.453 9.988 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.615 8.789 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.317 10.413 -4.446 1.00 0.00 H new ATOM 1047 N GLY A 65 8.408 9.043 -5.876 1.00 0.00 N ATOM 1048 CA GLY A 65 9.661 8.696 -6.520 1.00 0.00 C ATOM 1049 C GLY A 65 10.576 7.895 -5.615 1.00 0.00 C ATOM 1050 O GLY A 65 10.999 6.793 -5.965 1.00 0.00 O ATOM 0 H GLY A 65 8.180 10.037 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.455 8.122 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.171 9.608 -6.831 1.00 0.00 H new ATOM 1054 N THR A 66 10.884 8.450 -4.447 1.00 0.00 N ATOM 1055 CA THR A 66 11.757 7.782 -3.490 1.00 0.00 C ATOM 1056 C THR A 66 11.458 6.289 -3.422 1.00 0.00 C ATOM 1057 O THR A 66 12.364 5.460 -3.494 1.00 0.00 O ATOM 1058 CB THR A 66 11.614 8.388 -2.081 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.057 9.750 -2.087 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.420 7.592 -1.065 1.00 0.00 C ATOM 0 H THR A 66 10.542 9.361 -4.141 1.00 0.00 H new ATOM 0 HA THR A 66 12.779 7.929 -3.838 1.00 0.00 H new ATOM 0 HB THR A 66 10.562 8.349 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.961 10.129 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.304 8.039 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.062 6.563 -1.042 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.473 7.603 -1.346 1.00 0.00 H new ATOM 1068 N VAL A 67 10.179 5.953 -3.282 1.00 0.00 N ATOM 1069 CA VAL A 67 9.760 4.559 -3.206 1.00 0.00 C ATOM 1070 C VAL A 67 9.946 3.854 -4.545 1.00 0.00 C ATOM 1071 O VAL A 67 10.387 2.705 -4.599 1.00 0.00 O ATOM 1072 CB VAL A 67 8.285 4.439 -2.776 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.878 2.977 -2.666 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.054 5.165 -1.460 1.00 0.00 C ATOM 0 H VAL A 67 9.416 6.627 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 67 10.390 4.080 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 67 7.663 4.908 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.833 2.912 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.005 2.490 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.504 2.480 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.007 5.070 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.685 4.727 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.304 6.219 -1.577 1.00 0.00 H new ATOM 1084 N LEU A 68 9.609 4.550 -5.625 1.00 0.00 N ATOM 1085 CA LEU A 68 9.739 3.992 -6.966 1.00 0.00 C ATOM 1086 C LEU A 68 11.179 3.574 -7.244 1.00 0.00 C ATOM 1087 O LEU A 68 11.435 2.466 -7.715 1.00 0.00 O ATOM 1088 CB LEU A 68 9.281 5.012 -8.011 1.00 0.00 C ATOM 1089 CG LEU A 68 7.784 5.317 -8.039 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.491 6.464 -8.994 1.00 0.00 C ATOM 1091 CD2 LEU A 68 6.994 4.077 -8.433 1.00 0.00 C ATOM 0 H LEU A 68 9.244 5.502 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 68 9.105 3.108 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.818 5.945 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.576 4.651 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 68 7.475 5.617 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.420 6.667 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.027 7.355 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.815 6.193 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.930 4.313 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.306 3.746 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.179 3.283 -7.710 1.00 0.00 H new ATOM 1103 N ALA A 69 12.117 4.467 -6.947 1.00 0.00 N ATOM 1104 CA ALA A 69 13.532 4.189 -7.161 1.00 0.00 C ATOM 1105 C ALA A 69 14.006 3.041 -6.277 1.00 0.00 C ATOM 1106 O ALA A 69 14.952 2.332 -6.618 1.00 0.00 O ATOM 1107 CB ALA A 69 14.361 5.438 -6.897 1.00 0.00 C ATOM 0 H ALA A 69 11.923 5.389 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 69 13.665 3.891 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.416 5.216 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.048 6.232 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.214 5.761 -5.866 1.00 0.00 H new ATOM 1113 N SER A 70 13.342 2.864 -5.139 1.00 0.00 N ATOM 1114 CA SER A 70 13.699 1.804 -4.203 1.00 0.00 C ATOM 1115 C SER A 70 13.300 0.438 -4.752 1.00 0.00 C ATOM 1116 O SER A 70 13.845 -0.590 -4.347 1.00 0.00 O ATOM 1117 CB SER A 70 13.023 2.040 -2.851 1.00 0.00 C ATOM 1118 OG SER A 70 13.849 2.811 -1.996 1.00 0.00 O ATOM 0 H SER A 70 12.554 3.441 -4.843 1.00 0.00 H new ATOM 0 HA SER A 70 14.781 1.821 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.072 2.551 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.800 1.083 -2.380 1.00 0.00 H new ATOM 0 HG SER A 70 13.337 3.084 -1.206 1.00 0.00 H new ATOM 1124 N ARG A 71 12.346 0.434 -5.677 1.00 0.00 N ATOM 1125 CA ARG A 71 11.872 -0.805 -6.282 1.00 0.00 C ATOM 1126 C ARG A 71 13.043 -1.702 -6.672 1.00 0.00 C ATOM 1127 O ARG A 71 14.167 -1.243 -6.878 1.00 0.00 O ATOM 1128 CB ARG A 71 11.016 -0.502 -7.513 1.00 0.00 C ATOM 1129 CG ARG A 71 9.590 -0.096 -7.178 1.00 0.00 C ATOM 1130 CD ARG A 71 8.898 0.546 -8.371 1.00 0.00 C ATOM 1131 NE ARG A 71 9.092 -0.226 -9.596 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.014 0.298 -10.814 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.748 1.588 -10.969 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.202 -0.469 -11.880 1.00 0.00 N ATOM 0 H ARG A 71 11.886 1.275 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 71 11.264 -1.330 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.487 0.297 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.993 -1.383 -8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.027 -0.973 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.596 0.602 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.832 0.638 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.283 1.556 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 71 9.299 -1.221 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.603 2.181 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.689 1.988 -11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.407 -1.462 -11.764 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.142 -0.066 -12.815 1.00 0.00 H new ATOM 1148 N PRO A 72 12.776 -3.012 -6.775 1.00 0.00 N ATOM 1149 CA PRO A 72 11.443 -3.570 -6.531 1.00 0.00 C ATOM 1150 C PRO A 72 11.048 -3.506 -5.060 1.00 0.00 C ATOM 1151 O PRO A 72 11.799 -2.999 -4.227 1.00 0.00 O ATOM 1152 CB PRO A 72 11.579 -5.026 -6.985 1.00 0.00 C ATOM 1153 CG PRO A 72 13.030 -5.333 -6.842 1.00 0.00 C ATOM 1154 CD PRO A 72 13.756 -4.050 -7.137 1.00 0.00 C ATOM 0 HA PRO A 72 10.667 -3.015 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.971 -5.691 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.247 -5.152 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.257 -5.687 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.332 -6.120 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.670 -3.962 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.043 -3.983 -8.186 1.00 0.00 H new ATOM 1162 N HIS A 73 9.864 -4.024 -4.747 1.00 0.00 N ATOM 1163 CA HIS A 73 9.370 -4.026 -3.374 1.00 0.00 C ATOM 1164 C HIS A 73 8.811 -5.395 -3.001 1.00 0.00 C ATOM 1165 O HIS A 73 8.587 -6.244 -3.865 1.00 0.00 O ATOM 1166 CB HIS A 73 8.292 -2.956 -3.197 1.00 0.00 C ATOM 1167 CG HIS A 73 8.844 -1.585 -2.953 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.913 -1.014 -1.699 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.355 -0.671 -3.810 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.442 0.193 -1.797 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.719 0.425 -3.067 1.00 0.00 N ATOM 0 H HIS A 73 9.230 -4.447 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 73 10.206 -3.802 -2.712 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.665 -2.933 -4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.649 -3.234 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.457 -0.783 -4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.618 0.874 -0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.136 1.280 -3.436 1.00 0.00 H new ATOM 1180 N THR A 74 8.588 -5.605 -1.707 1.00 0.00 N ATOM 1181 CA THR A 74 8.057 -6.871 -1.218 1.00 0.00 C ATOM 1182 C THR A 74 7.563 -6.743 0.218 1.00 0.00 C ATOM 1183 O THR A 74 8.359 -6.633 1.152 1.00 0.00 O ATOM 1184 CB THR A 74 9.115 -7.988 -1.287 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.708 -8.021 -2.590 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.495 -9.341 -0.972 1.00 0.00 C ATOM 0 H THR A 74 8.767 -4.914 -0.979 1.00 0.00 H new ATOM 0 HA THR A 74 7.220 -7.133 -1.865 1.00 0.00 H new ATOM 0 HB THR A 74 9.884 -7.777 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.042 -7.757 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.261 -10.114 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.070 -9.322 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.708 -9.558 -1.695 1.00 0.00 H new ATOM 1194 N LEU A 75 6.246 -6.758 0.389 1.00 0.00 N ATOM 1195 CA LEU A 75 5.645 -6.644 1.714 1.00 0.00 C ATOM 1196 C LEU A 75 4.834 -7.890 2.053 1.00 0.00 C ATOM 1197 O LEU A 75 4.245 -8.519 1.173 1.00 0.00 O ATOM 1198 CB LEU A 75 4.751 -5.405 1.785 1.00 0.00 C ATOM 1199 CG LEU A 75 3.717 -5.386 2.912 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.400 -5.204 4.259 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.692 -4.286 2.678 1.00 0.00 C ATOM 0 H LEU A 75 5.574 -6.848 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 75 6.449 -6.547 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.389 -4.527 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.225 -5.306 0.835 1.00 0.00 H new ATOM 0 HG LEU A 75 3.196 -6.344 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.649 -5.193 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.094 -6.027 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.947 -4.261 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.965 -4.288 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.196 -3.320 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.180 -4.461 1.732 1.00 0.00 H new ATOM 1213 N ASP A 76 4.806 -8.241 3.334 1.00 0.00 N ATOM 1214 CA ASP A 76 4.065 -9.411 3.791 1.00 0.00 C ATOM 1215 C ASP A 76 4.456 -10.649 2.990 1.00 0.00 C ATOM 1216 O ASP A 76 3.627 -11.519 2.728 1.00 0.00 O ATOM 1217 CB ASP A 76 2.560 -9.165 3.671 1.00 0.00 C ATOM 1218 CG ASP A 76 1.972 -8.552 4.927 1.00 0.00 C ATOM 1219 OD1 ASP A 76 2.256 -7.367 5.197 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.228 -9.258 5.640 1.00 0.00 O ATOM 0 H ASP A 76 5.288 -7.732 4.075 1.00 0.00 H new ATOM 0 HA ASP A 76 4.315 -9.584 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.369 -8.506 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.056 -10.108 3.460 1.00 0.00 H new ATOM 1225 N GLY A 77 5.726 -10.720 2.603 1.00 0.00 N ATOM 1226 CA GLY A 77 6.205 -11.855 1.835 1.00 0.00 C ATOM 1227 C GLY A 77 5.540 -11.958 0.477 1.00 0.00 C ATOM 1228 O GLY A 77 5.495 -13.033 -0.120 1.00 0.00 O ATOM 0 H GLY A 77 6.432 -10.012 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.284 -11.771 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.023 -12.772 2.396 1.00 0.00 H new ATOM 1232 N ARG A 78 5.021 -10.836 -0.012 1.00 0.00 N ATOM 1233 CA ARG A 78 4.352 -10.805 -1.308 1.00 0.00 C ATOM 1234 C ARG A 78 5.049 -9.835 -2.256 1.00 0.00 C ATOM 1235 O ARG A 78 5.334 -8.694 -1.894 1.00 0.00 O ATOM 1236 CB ARG A 78 2.885 -10.406 -1.139 1.00 0.00 C ATOM 1237 CG ARG A 78 2.169 -10.148 -2.454 1.00 0.00 C ATOM 1238 CD ARG A 78 1.556 -11.423 -3.014 1.00 0.00 C ATOM 1239 NE ARG A 78 2.575 -12.388 -3.418 1.00 0.00 N ATOM 1240 CZ ARG A 78 3.232 -12.324 -4.571 1.00 0.00 C ATOM 1241 NH1 ARG A 78 2.977 -11.346 -5.429 1.00 0.00 N ATOM 1242 NH2 ARG A 78 4.145 -13.240 -4.868 1.00 0.00 N ATOM 0 H ARG A 78 5.051 -9.937 0.469 1.00 0.00 H new ATOM 0 HA ARG A 78 4.402 -11.805 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.362 -11.196 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.830 -9.509 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.388 -9.403 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.871 -9.733 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.907 -11.874 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.929 -11.178 -3.871 1.00 0.00 H new ATOM 0 HE ARG A 78 2.794 -13.153 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.275 -10.641 -5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.483 -11.299 -6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.343 -13.994 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.649 -13.190 -5.754 1.00 0.00 H new ATOM 1256 N ASN A 79 5.321 -10.296 -3.472 1.00 0.00 N ATOM 1257 CA ASN A 79 5.986 -9.469 -4.473 1.00 0.00 C ATOM 1258 C ASN A 79 5.059 -8.362 -4.967 1.00 0.00 C ATOM 1259 O ASN A 79 4.058 -8.628 -5.632 1.00 0.00 O ATOM 1260 CB ASN A 79 6.445 -10.329 -5.652 1.00 0.00 C ATOM 1261 CG ASN A 79 7.112 -11.615 -5.205 1.00 0.00 C ATOM 1262 OD1 ASN A 79 6.556 -12.703 -5.360 1.00 0.00 O ATOM 1263 ND2 ASN A 79 8.311 -11.496 -4.646 1.00 0.00 N ATOM 0 H ASN A 79 5.091 -11.238 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 79 6.857 -9.008 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.587 -10.568 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.140 -9.757 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.809 -12.326 -4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.734 -10.574 -4.538 1.00 0.00 H new ATOM 1270 N ILE A 80 5.401 -7.121 -4.636 1.00 0.00 N ATOM 1271 CA ILE A 80 4.600 -5.974 -5.047 1.00 0.00 C ATOM 1272 C ILE A 80 5.454 -4.942 -5.776 1.00 0.00 C ATOM 1273 O ILE A 80 6.682 -4.972 -5.701 1.00 0.00 O ATOM 1274 CB ILE A 80 3.919 -5.302 -3.841 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.953 -4.559 -2.993 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.184 -6.337 -3.003 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.341 -3.595 -2.001 1.00 0.00 C ATOM 0 H ILE A 80 6.226 -6.884 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 80 3.832 -6.350 -5.723 1.00 0.00 H new ATOM 0 HB ILE A 80 3.192 -4.579 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.559 -5.287 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.626 -4.011 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.708 -5.846 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.424 -6.826 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.893 -7.082 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.133 -3.104 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.758 -2.845 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.691 -4.141 -1.317 1.00 0.00 H new ATOM 1289 N ASP A 81 4.794 -4.028 -6.479 1.00 0.00 N ATOM 1290 CA ASP A 81 5.492 -2.983 -7.219 1.00 0.00 C ATOM 1291 C ASP A 81 4.618 -1.740 -7.360 1.00 0.00 C ATOM 1292 O ASP A 81 3.609 -1.737 -8.065 1.00 0.00 O ATOM 1293 CB ASP A 81 5.900 -3.493 -8.602 1.00 0.00 C ATOM 1294 CG ASP A 81 6.990 -2.649 -9.233 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.065 -2.509 -8.613 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.768 -2.130 -10.347 1.00 0.00 O ATOM 0 H ASP A 81 3.777 -3.990 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 81 6.388 -2.714 -6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.245 -4.524 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.027 -3.501 -9.255 1.00 0.00 H new ATOM 1301 N PRO A 82 5.012 -0.659 -6.671 1.00 0.00 N ATOM 1302 CA PRO A 82 4.278 0.610 -6.702 1.00 0.00 C ATOM 1303 C PRO A 82 4.386 1.309 -8.053 1.00 0.00 C ATOM 1304 O PRO A 82 5.227 0.957 -8.881 1.00 0.00 O ATOM 1305 CB PRO A 82 4.961 1.442 -5.613 1.00 0.00 C ATOM 1306 CG PRO A 82 6.336 0.878 -5.513 1.00 0.00 C ATOM 1307 CD PRO A 82 6.204 -0.591 -5.810 1.00 0.00 C ATOM 0 HA PRO A 82 3.210 0.467 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.985 2.499 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.431 1.364 -4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.008 1.361 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.753 1.039 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.088 -0.980 -6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.075 -1.175 -4.899 1.00 0.00 H new ATOM 1315 N LYS A 83 3.530 2.302 -8.270 1.00 0.00 N ATOM 1316 CA LYS A 83 3.530 3.053 -9.520 1.00 0.00 C ATOM 1317 C LYS A 83 3.054 4.485 -9.295 1.00 0.00 C ATOM 1318 O LYS A 83 2.230 4.760 -8.423 1.00 0.00 O ATOM 1319 CB LYS A 83 2.635 2.364 -10.553 1.00 0.00 C ATOM 1320 CG LYS A 83 3.143 0.999 -10.984 1.00 0.00 C ATOM 1321 CD LYS A 83 2.848 0.732 -12.450 1.00 0.00 C ATOM 1322 CE LYS A 83 1.507 0.037 -12.631 1.00 0.00 C ATOM 1323 NZ LYS A 83 0.927 0.292 -13.979 1.00 0.00 N ATOM 0 H LYS A 83 2.827 2.605 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 83 4.553 3.083 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.633 2.255 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.549 3.004 -11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.218 0.938 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.678 0.227 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.848 1.673 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.639 0.115 -12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.632 -1.036 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.812 0.383 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.014 -0.199 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.784 1.314 -14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.578 -0.061 -14.709 1.00 0.00 H new ATOM 1337 N PRO A 84 3.584 5.419 -10.098 1.00 0.00 N ATOM 1338 CA PRO A 84 3.227 6.837 -10.006 1.00 0.00 C ATOM 1339 C PRO A 84 1.800 7.107 -10.471 1.00 0.00 C ATOM 1340 O PRO A 84 1.356 8.255 -10.510 1.00 0.00 O ATOM 1341 CB PRO A 84 4.231 7.517 -10.940 1.00 0.00 C ATOM 1342 CG PRO A 84 4.617 6.460 -11.916 1.00 0.00 C ATOM 1343 CD PRO A 84 4.573 5.162 -11.159 1.00 0.00 C ATOM 0 HA PRO A 84 3.265 7.201 -8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.786 8.376 -11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.098 7.884 -10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.931 6.441 -12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.614 6.644 -12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.269 4.334 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.548 4.905 -10.746 1.00 0.00 H new ATOM 1351 N CYS A 85 1.086 6.043 -10.822 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.291 6.165 -11.285 1.00 0.00 C ATOM 1353 C CYS A 85 -0.372 7.052 -12.524 1.00 0.00 C ATOM 1354 O CYS A 85 -1.263 7.895 -12.641 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.175 6.736 -10.176 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.124 5.795 -8.633 1.00 0.00 S ATOM 0 H CYS A 85 1.438 5.086 -10.795 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.649 5.170 -11.549 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.868 7.762 -9.974 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.205 6.776 -10.531 1.00 0.00 H new ATOM 0 HG CYS A 85 0.106 5.474 -8.361 1.00 0.00 H new ATOM 1362 N THR A 86 0.565 6.858 -13.446 1.00 0.00 N ATOM 1363 CA THR A 86 0.602 7.642 -14.675 1.00 0.00 C ATOM 1364 C THR A 86 0.319 6.769 -15.892 1.00 0.00 C ATOM 1365 O THR A 86 0.580 5.566 -15.898 1.00 0.00 O ATOM 1366 CB THR A 86 1.966 8.333 -14.859 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.013 7.357 -14.868 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.216 9.342 -13.748 1.00 0.00 C ATOM 0 H THR A 86 1.309 6.165 -13.365 1.00 0.00 H new ATOM 0 HA THR A 86 -0.174 8.403 -14.589 1.00 0.00 H new ATOM 0 HB THR A 86 1.955 8.861 -15.812 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.877 7.805 -14.987 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.185 9.817 -13.899 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.434 10.101 -13.763 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.208 8.832 -12.785 1.00 0.00 H new ATOM 1376 N PRO A 87 -0.228 7.387 -16.950 1.00 0.00 N ATOM 1377 CA PRO A 87 -0.558 6.685 -18.194 1.00 0.00 C ATOM 1378 C PRO A 87 0.686 6.256 -18.964 1.00 0.00 C ATOM 1379 O PRO A 87 1.801 6.669 -18.642 1.00 0.00 O ATOM 1380 CB PRO A 87 -1.347 7.727 -18.990 1.00 0.00 C ATOM 1381 CG PRO A 87 -0.877 9.040 -18.467 1.00 0.00 C ATOM 1382 CD PRO A 87 -0.567 8.819 -17.013 1.00 0.00 C ATOM 0 HA PRO A 87 -1.109 5.763 -18.009 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.156 7.636 -20.059 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.421 7.605 -18.846 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.006 9.382 -19.007 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.642 9.806 -18.591 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.262 9.443 -16.680 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.421 9.058 -16.379 1.00 0.00 H new ATOM 1390 N ARG A 88 0.489 5.426 -19.983 1.00 0.00 N ATOM 1391 CA ARG A 88 1.595 4.940 -20.799 1.00 0.00 C ATOM 1392 C ARG A 88 2.670 6.013 -20.951 1.00 0.00 C ATOM 1393 O ARG A 88 3.858 5.744 -20.782 1.00 0.00 O ATOM 1394 CB ARG A 88 1.090 4.510 -22.177 1.00 0.00 C ATOM 1395 CG ARG A 88 0.614 3.067 -22.228 1.00 0.00 C ATOM 1396 CD ARG A 88 -0.866 2.957 -21.894 1.00 0.00 C ATOM 1397 NE ARG A 88 -1.709 3.455 -22.977 1.00 0.00 N ATOM 1398 CZ ARG A 88 -2.959 3.871 -22.803 1.00 0.00 C ATOM 1399 NH1 ARG A 88 -3.506 3.850 -21.596 1.00 0.00 N ATOM 1400 NH2 ARG A 88 -3.663 4.311 -23.839 1.00 0.00 N ATOM 0 H ARG A 88 -0.427 5.076 -20.263 1.00 0.00 H new ATOM 0 HA ARG A 88 2.034 4.078 -20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.271 5.165 -22.475 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.889 4.646 -22.906 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.795 2.658 -23.222 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.192 2.467 -21.526 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.115 1.916 -21.690 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.075 3.519 -20.984 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.317 3.485 -23.918 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.967 3.514 -20.798 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.466 4.170 -21.465 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.244 4.330 -24.769 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.622 4.630 -23.705 1.00 0.00 H new ATOM 1414 N GLY A 89 2.242 7.230 -21.272 1.00 0.00 N ATOM 1415 CA GLY A 89 3.180 8.325 -21.443 1.00 0.00 C ATOM 1416 C GLY A 89 3.272 9.206 -20.213 1.00 0.00 C ATOM 1417 O GLY A 89 2.296 9.365 -19.481 1.00 0.00 O ATOM 0 H GLY A 89 1.263 7.478 -21.417 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.166 7.922 -21.672 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.876 8.930 -22.298 1.00 0.00 H new ATOM 1421 N MET A 90 4.450 9.779 -19.985 1.00 0.00 N ATOM 1422 CA MET A 90 4.666 10.648 -18.834 1.00 0.00 C ATOM 1423 C MET A 90 5.043 12.057 -19.280 1.00 0.00 C ATOM 1424 O MET A 90 5.389 12.278 -20.440 1.00 0.00 O ATOM 1425 CB MET A 90 5.762 10.076 -17.934 1.00 0.00 C ATOM 1426 CG MET A 90 7.148 10.128 -18.555 1.00 0.00 C ATOM 1427 SD MET A 90 8.422 9.455 -17.471 1.00 0.00 S ATOM 1428 CE MET A 90 8.064 7.703 -17.575 1.00 0.00 C ATOM 0 H MET A 90 5.268 9.657 -20.581 1.00 0.00 H new ATOM 0 HA MET A 90 3.734 10.701 -18.271 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.773 10.628 -16.994 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.519 9.041 -17.693 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.143 9.571 -19.492 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.394 11.161 -18.800 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.878 7.138 -17.120 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.134 7.490 -17.047 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.962 7.414 -18.621 1.00 0.00 H new ATOM 1438 N GLN A 91 4.972 13.006 -18.352 1.00 0.00 N ATOM 1439 CA GLN A 91 5.306 14.394 -18.652 1.00 0.00 C ATOM 1440 C GLN A 91 6.027 15.046 -17.478 1.00 0.00 C ATOM 1441 O GLN A 91 5.689 14.833 -16.313 1.00 0.00 O ATOM 1442 CB GLN A 91 4.040 15.183 -18.990 1.00 0.00 C ATOM 1443 CG GLN A 91 3.415 14.791 -20.319 1.00 0.00 C ATOM 1444 CD GLN A 91 1.959 15.201 -20.424 1.00 0.00 C ATOM 1445 OE1 GLN A 91 1.127 14.792 -19.614 1.00 0.00 O ATOM 1446 NE2 GLN A 91 1.644 16.015 -21.425 1.00 0.00 N ATOM 0 H GLN A 91 4.687 12.840 -17.387 1.00 0.00 H new ATOM 0 HA GLN A 91 5.973 14.403 -19.514 1.00 0.00 H new ATOM 0 HB2 GLN A 91 3.308 15.036 -18.196 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.279 16.246 -19.010 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.978 15.252 -21.131 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.495 13.712 -20.449 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.366 16.329 -22.073 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.680 16.326 -21.546 1.00 0.00 H new ATOM 1455 N PRO A 92 7.047 15.861 -17.788 1.00 0.00 N ATOM 1456 CA PRO A 92 7.838 16.561 -16.771 1.00 0.00 C ATOM 1457 C PRO A 92 7.043 17.660 -16.074 1.00 0.00 C ATOM 1458 O PRO A 92 6.214 18.328 -16.693 1.00 0.00 O ATOM 1459 CB PRO A 92 8.993 17.164 -17.574 1.00 0.00 C ATOM 1460 CG PRO A 92 8.459 17.308 -18.958 1.00 0.00 C ATOM 1461 CD PRO A 92 7.505 16.162 -19.154 1.00 0.00 C ATOM 0 HA PRO A 92 8.159 15.892 -15.972 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.298 18.127 -17.165 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.870 16.517 -17.553 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.951 18.264 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.264 17.276 -19.692 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.675 16.437 -19.804 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.997 15.303 -19.611 1.00 0.00 H new ATOM 1469 N SER A 93 7.301 17.843 -14.783 1.00 0.00 N ATOM 1470 CA SER A 93 6.607 18.859 -14.001 1.00 0.00 C ATOM 1471 C SER A 93 7.457 20.120 -13.872 1.00 0.00 C ATOM 1472 O SER A 93 7.032 21.210 -14.252 1.00 0.00 O ATOM 1473 CB SER A 93 6.265 18.318 -12.612 1.00 0.00 C ATOM 1474 OG SER A 93 5.223 19.070 -12.014 1.00 0.00 O ATOM 0 H SER A 93 7.986 17.301 -14.256 1.00 0.00 H new ATOM 0 HA SER A 93 5.684 19.115 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.965 17.273 -12.689 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.151 18.350 -11.978 1.00 0.00 H new ATOM 0 HG SER A 93 5.022 18.703 -11.128 1.00 0.00 H new ATOM 1480 N GLY A 94 8.662 19.961 -13.334 1.00 0.00 N ATOM 1481 CA GLY A 94 9.554 21.094 -13.164 1.00 0.00 C ATOM 1482 C GLY A 94 10.305 21.049 -11.848 1.00 0.00 C ATOM 1483 O GLY A 94 9.727 20.809 -10.787 1.00 0.00 O ATOM 0 H GLY A 94 9.037 19.068 -13.013 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.269 21.116 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.978 22.018 -13.218 1.00 0.00 H new ATOM 1487 N PRO A 95 11.624 21.282 -11.907 1.00 0.00 N ATOM 1488 CA PRO A 95 12.484 21.271 -10.720 1.00 0.00 C ATOM 1489 C PRO A 95 12.216 22.457 -9.799 1.00 0.00 C ATOM 1490 O PRO A 95 12.551 23.595 -10.125 1.00 0.00 O ATOM 1491 CB PRO A 95 13.896 21.355 -11.303 1.00 0.00 C ATOM 1492 CG PRO A 95 13.721 22.019 -12.625 1.00 0.00 C ATOM 1493 CD PRO A 95 12.378 21.575 -13.137 1.00 0.00 C ATOM 0 HA PRO A 95 12.315 20.388 -10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.558 21.930 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.339 20.365 -11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.761 23.104 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.516 21.732 -13.314 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.896 22.354 -13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.462 20.696 -13.776 1.00 0.00 H new ATOM 1501 N SER A 96 11.611 22.182 -8.648 1.00 0.00 N ATOM 1502 CA SER A 96 11.295 23.227 -7.682 1.00 0.00 C ATOM 1503 C SER A 96 12.439 24.230 -7.573 1.00 0.00 C ATOM 1504 O SER A 96 12.243 25.433 -7.745 1.00 0.00 O ATOM 1505 CB SER A 96 11.008 22.613 -6.310 1.00 0.00 C ATOM 1506 OG SER A 96 9.739 21.983 -6.288 1.00 0.00 O ATOM 0 H SER A 96 11.330 21.244 -8.362 1.00 0.00 H new ATOM 0 HA SER A 96 10.406 23.752 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.782 21.886 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.045 23.389 -5.546 1.00 0.00 H new ATOM 0 HG SER A 96 9.581 21.597 -5.401 1.00 0.00 H new ATOM 1512 N SER A 97 13.635 23.725 -7.287 1.00 0.00 N ATOM 1513 CA SER A 97 14.811 24.577 -7.151 1.00 0.00 C ATOM 1514 C SER A 97 14.965 25.488 -8.365 1.00 0.00 C ATOM 1515 O SER A 97 15.390 26.636 -8.244 1.00 0.00 O ATOM 1516 CB SER A 97 16.068 23.722 -6.979 1.00 0.00 C ATOM 1517 OG SER A 97 16.184 22.769 -8.021 1.00 0.00 O ATOM 0 H SER A 97 13.815 22.731 -7.145 1.00 0.00 H new ATOM 0 HA SER A 97 14.678 25.199 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 97 16.949 24.363 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.035 23.211 -6.017 1.00 0.00 H new ATOM 0 HG SER A 97 16.996 22.237 -7.889 1.00 0.00 H new ATOM 1523 N GLY A 98 14.616 24.966 -9.537 1.00 0.00 N ATOM 1524 CA GLY A 98 14.722 25.745 -10.757 1.00 0.00 C ATOM 1525 C GLY A 98 15.356 24.964 -11.891 1.00 0.00 C ATOM 1526 O GLY A 98 15.830 23.845 -11.693 1.00 0.00 O ATOM 0 H GLY A 98 14.262 24.018 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.729 26.077 -11.060 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.312 26.641 -10.562 1.00 0.00 H new TER 1530 GLY A 98