USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.979 USER MOD Single : A 10 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.4!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.28 F(o=-1,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc=0.000783 (180deg=-0.173) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.41 F(o=-4.5!,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 59:sc= 0.762 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.068 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.315 K(o=-0.32,f=-1.8!) USER MOD Single : A 55 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00286 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.845 15.970 -6.784 1.00 0.00 N ATOM 2 CA GLY A 1 16.744 16.302 -8.193 1.00 0.00 C ATOM 3 C GLY A 1 16.730 15.072 -9.079 1.00 0.00 C ATOM 4 O GLY A 1 17.739 14.379 -9.207 1.00 0.00 O ATOM 0 H1 GLY A 1 16.851 16.844 -6.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.032 15.385 -6.506 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.725 15.443 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.835 16.879 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.583 16.939 -8.474 1.00 0.00 H new ATOM 8 N SER A 2 15.582 14.799 -9.691 1.00 0.00 N ATOM 9 CA SER A 2 15.439 13.641 -10.565 1.00 0.00 C ATOM 10 C SER A 2 14.223 13.793 -11.474 1.00 0.00 C ATOM 11 O SER A 2 13.130 14.129 -11.017 1.00 0.00 O ATOM 12 CB SER A 2 15.312 12.362 -9.736 1.00 0.00 C ATOM 13 OG SER A 2 14.142 12.386 -8.936 1.00 0.00 O ATOM 0 H SER A 2 14.738 15.364 -9.598 1.00 0.00 H new ATOM 0 HA SER A 2 16.331 13.575 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.286 11.497 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.189 12.249 -9.099 1.00 0.00 H new ATOM 0 HG SER A 2 14.083 11.557 -8.417 1.00 0.00 H new ATOM 19 N SER A 3 14.421 13.544 -12.765 1.00 0.00 N ATOM 20 CA SER A 3 13.343 13.657 -13.740 1.00 0.00 C ATOM 21 C SER A 3 13.363 12.481 -14.711 1.00 0.00 C ATOM 22 O SER A 3 14.409 12.126 -15.252 1.00 0.00 O ATOM 23 CB SER A 3 13.461 14.973 -14.512 1.00 0.00 C ATOM 24 OG SER A 3 12.923 16.052 -13.767 1.00 0.00 O ATOM 0 H SER A 3 15.318 13.263 -13.160 1.00 0.00 H new ATOM 0 HA SER A 3 12.396 13.644 -13.201 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.508 15.171 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.937 14.888 -15.464 1.00 0.00 H new ATOM 0 HG SER A 3 13.012 16.881 -14.281 1.00 0.00 H new ATOM 30 N GLY A 4 12.197 11.879 -14.925 1.00 0.00 N ATOM 31 CA GLY A 4 12.101 10.748 -15.830 1.00 0.00 C ATOM 32 C GLY A 4 12.555 9.452 -15.189 1.00 0.00 C ATOM 33 O GLY A 4 13.244 9.464 -14.169 1.00 0.00 O ATOM 0 H GLY A 4 11.317 12.154 -14.488 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.069 10.642 -16.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.706 10.943 -16.716 1.00 0.00 H new ATOM 37 N SER A 5 12.167 8.330 -15.787 1.00 0.00 N ATOM 38 CA SER A 5 12.534 7.019 -15.264 1.00 0.00 C ATOM 39 C SER A 5 12.188 5.920 -16.263 1.00 0.00 C ATOM 40 O SER A 5 11.591 6.180 -17.308 1.00 0.00 O ATOM 41 CB SER A 5 11.822 6.759 -13.935 1.00 0.00 C ATOM 42 OG SER A 5 10.478 6.362 -14.146 1.00 0.00 O ATOM 0 H SER A 5 11.599 8.302 -16.634 1.00 0.00 H new ATOM 0 HA SER A 5 13.611 7.010 -15.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.351 5.983 -13.381 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.846 7.661 -13.323 1.00 0.00 H new ATOM 0 HG SER A 5 10.045 6.200 -13.282 1.00 0.00 H new ATOM 48 N SER A 6 12.567 4.689 -15.934 1.00 0.00 N ATOM 49 CA SER A 6 12.300 3.549 -16.803 1.00 0.00 C ATOM 50 C SER A 6 11.737 2.377 -16.005 1.00 0.00 C ATOM 51 O SER A 6 12.077 2.185 -14.839 1.00 0.00 O ATOM 52 CB SER A 6 13.579 3.121 -17.525 1.00 0.00 C ATOM 53 OG SER A 6 13.729 3.814 -18.752 1.00 0.00 O ATOM 0 H SER A 6 13.060 4.456 -15.072 1.00 0.00 H new ATOM 0 HA SER A 6 11.558 3.853 -17.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.442 3.313 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.553 2.047 -17.711 1.00 0.00 H new ATOM 0 HG SER A 6 14.555 3.524 -19.193 1.00 0.00 H new ATOM 59 N GLY A 7 10.871 1.595 -16.644 1.00 0.00 N ATOM 60 CA GLY A 7 10.274 0.452 -15.979 1.00 0.00 C ATOM 61 C GLY A 7 9.820 0.773 -14.569 1.00 0.00 C ATOM 62 O GLY A 7 10.543 0.521 -13.604 1.00 0.00 O ATOM 0 H GLY A 7 10.573 1.733 -17.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.421 0.102 -16.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.996 -0.364 -15.948 1.00 0.00 H new ATOM 66 N THR A 8 8.621 1.332 -14.447 1.00 0.00 N ATOM 67 CA THR A 8 8.073 1.691 -13.145 1.00 0.00 C ATOM 68 C THR A 8 7.544 0.462 -12.414 1.00 0.00 C ATOM 69 O THR A 8 6.354 0.154 -12.480 1.00 0.00 O ATOM 70 CB THR A 8 6.938 2.724 -13.278 1.00 0.00 C ATOM 71 OG1 THR A 8 5.875 2.184 -14.070 1.00 0.00 O ATOM 72 CG2 THR A 8 7.448 4.009 -13.912 1.00 0.00 C ATOM 0 H THR A 8 8.010 1.546 -15.235 1.00 0.00 H new ATOM 0 HA THR A 8 8.888 2.130 -12.569 1.00 0.00 H new ATOM 0 HB THR A 8 6.566 2.953 -12.280 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.637 1.294 -13.735 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.629 4.723 -13.996 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.237 4.433 -13.291 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.844 3.793 -14.904 1.00 0.00 H new ATOM 80 N ALA A 9 8.434 -0.235 -11.717 1.00 0.00 N ATOM 81 CA ALA A 9 8.055 -1.429 -10.971 1.00 0.00 C ATOM 82 C ALA A 9 8.264 -1.230 -9.473 1.00 0.00 C ATOM 83 O ALA A 9 8.179 -2.179 -8.695 1.00 0.00 O ATOM 84 CB ALA A 9 8.848 -2.631 -11.461 1.00 0.00 C ATOM 0 H ALA A 9 9.423 0.006 -11.653 1.00 0.00 H new ATOM 0 HA ALA A 9 6.994 -1.613 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.555 -3.515 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.645 -2.794 -12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.913 -2.446 -11.320 1.00 0.00 H new ATOM 90 N GLN A 10 8.539 0.009 -9.078 1.00 0.00 N ATOM 91 CA GLN A 10 8.762 0.331 -7.674 1.00 0.00 C ATOM 92 C GLN A 10 7.543 -0.032 -6.832 1.00 0.00 C ATOM 93 O GLN A 10 6.411 -0.063 -7.316 1.00 0.00 O ATOM 94 CB GLN A 10 9.082 1.818 -7.514 1.00 0.00 C ATOM 95 CG GLN A 10 10.565 2.135 -7.609 1.00 0.00 C ATOM 96 CD GLN A 10 11.404 1.287 -6.674 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.810 0.177 -7.020 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.669 1.806 -5.480 1.00 0.00 N ATOM 0 H GLN A 10 8.613 0.806 -9.710 1.00 0.00 H new ATOM 0 HA GLN A 10 9.611 -0.256 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.549 2.380 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.707 2.160 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.901 1.980 -8.634 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.723 3.188 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.312 2.730 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.229 1.281 -4.809 1.00 0.00 H new ATOM 107 N PRO A 11 7.777 -0.315 -5.542 1.00 0.00 N ATOM 108 CA PRO A 11 6.710 -0.681 -4.606 1.00 0.00 C ATOM 109 C PRO A 11 5.792 0.494 -4.284 1.00 0.00 C ATOM 110 O PRO A 11 4.600 0.314 -4.040 1.00 0.00 O ATOM 111 CB PRO A 11 7.472 -1.122 -3.354 1.00 0.00 C ATOM 112 CG PRO A 11 8.777 -0.407 -3.433 1.00 0.00 C ATOM 113 CD PRO A 11 9.100 -0.297 -4.898 1.00 0.00 C ATOM 0 HA PRO A 11 6.055 -1.449 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.930 -0.857 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.613 -2.203 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.710 0.579 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.555 -0.955 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.643 0.621 -5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.722 -1.126 -5.235 1.00 0.00 H new ATOM 121 N ASN A 12 6.356 1.697 -4.286 1.00 0.00 N ATOM 122 CA ASN A 12 5.588 2.902 -3.995 1.00 0.00 C ATOM 123 C ASN A 12 5.072 3.543 -5.279 1.00 0.00 C ATOM 124 O ASN A 12 3.918 3.965 -5.355 1.00 0.00 O ATOM 125 CB ASN A 12 6.447 3.905 -3.221 1.00 0.00 C ATOM 126 CG ASN A 12 7.430 3.225 -2.288 1.00 0.00 C ATOM 127 OD1 ASN A 12 7.004 2.122 -1.681 1.00 0.00 O flip ATOM 128 ND2 ASN A 12 8.558 3.685 -2.114 1.00 0.00 N flip ATOM 0 H ASN A 12 7.342 1.864 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 12 4.732 2.617 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.993 4.532 -3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.799 4.565 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.843 4.535 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.208 3.217 -1.483 1.00 0.00 H new ATOM 135 N ALA A 13 5.935 3.611 -6.288 1.00 0.00 N ATOM 136 CA ALA A 13 5.566 4.197 -7.571 1.00 0.00 C ATOM 137 C ALA A 13 4.234 3.642 -8.065 1.00 0.00 C ATOM 138 O ALA A 13 3.341 4.398 -8.450 1.00 0.00 O ATOM 139 CB ALA A 13 6.658 3.947 -8.599 1.00 0.00 C ATOM 0 H ALA A 13 6.894 3.268 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 13 5.453 5.272 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.369 4.390 -9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.590 4.398 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.799 2.874 -8.726 1.00 0.00 H new ATOM 145 N ILE A 14 4.109 2.320 -8.053 1.00 0.00 N ATOM 146 CA ILE A 14 2.886 1.665 -8.500 1.00 0.00 C ATOM 147 C ILE A 14 1.717 1.993 -7.577 1.00 0.00 C ATOM 148 O ILE A 14 0.696 2.525 -8.014 1.00 0.00 O ATOM 149 CB ILE A 14 3.058 0.136 -8.568 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.258 -0.226 -9.446 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.791 -0.517 -9.098 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.761 -1.636 -9.231 1.00 0.00 C ATOM 0 H ILE A 14 4.839 1.681 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 14 2.674 2.043 -9.500 1.00 0.00 H new ATOM 0 HB ILE A 14 3.242 -0.239 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.982 -0.103 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.069 0.475 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.929 -1.597 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.957 -0.283 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.578 -0.139 -10.098 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.612 -1.823 -9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.069 -1.758 -8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.965 -2.345 -9.459 1.00 0.00 H new ATOM 164 N LEU A 15 1.874 1.674 -6.297 1.00 0.00 N ATOM 165 CA LEU A 15 0.833 1.936 -5.310 1.00 0.00 C ATOM 166 C LEU A 15 0.278 3.348 -5.466 1.00 0.00 C ATOM 167 O LEU A 15 -0.864 3.620 -5.097 1.00 0.00 O ATOM 168 CB LEU A 15 1.384 1.746 -3.895 1.00 0.00 C ATOM 169 CG LEU A 15 1.259 0.339 -3.310 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.142 0.193 -2.080 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.191 0.031 -2.966 1.00 0.00 C ATOM 0 H LEU A 15 2.712 1.233 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 15 0.023 1.226 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.438 2.025 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.871 2.441 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 15 1.594 -0.377 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.040 -0.815 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.182 0.371 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.838 0.918 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.261 -0.974 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.552 0.752 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.800 0.094 -3.868 1.00 0.00 H new ATOM 183 N GLU A 16 1.093 4.242 -6.017 1.00 0.00 N ATOM 184 CA GLU A 16 0.682 5.626 -6.223 1.00 0.00 C ATOM 185 C GLU A 16 -0.107 5.771 -7.521 1.00 0.00 C ATOM 186 O GLU A 16 -1.015 6.597 -7.620 1.00 0.00 O ATOM 187 CB GLU A 16 1.905 6.545 -6.251 1.00 0.00 C ATOM 188 CG GLU A 16 1.573 8.007 -6.002 1.00 0.00 C ATOM 189 CD GLU A 16 1.540 8.354 -4.526 1.00 0.00 C ATOM 190 OE1 GLU A 16 2.311 7.743 -3.756 1.00 0.00 O ATOM 191 OE2 GLU A 16 0.744 9.236 -4.141 1.00 0.00 O ATOM 0 H GLU A 16 2.041 4.033 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 16 0.038 5.915 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.618 6.210 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.397 6.452 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.311 8.634 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.605 8.237 -6.447 1.00 0.00 H new ATOM 198 N LYS A 17 0.245 4.962 -8.514 1.00 0.00 N ATOM 199 CA LYS A 17 -0.429 4.998 -9.806 1.00 0.00 C ATOM 200 C LYS A 17 -1.901 4.622 -9.663 1.00 0.00 C ATOM 201 O LYS A 17 -2.782 5.315 -10.171 1.00 0.00 O ATOM 202 CB LYS A 17 0.258 4.048 -10.790 1.00 0.00 C ATOM 203 CG LYS A 17 -0.539 3.808 -12.061 1.00 0.00 C ATOM 204 CD LYS A 17 -0.083 2.546 -12.774 1.00 0.00 C ATOM 205 CE LYS A 17 -0.380 2.611 -14.265 1.00 0.00 C ATOM 206 NZ LYS A 17 0.319 1.532 -15.017 1.00 0.00 N ATOM 0 H LYS A 17 0.994 4.273 -8.449 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.368 6.016 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.234 4.456 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.435 3.093 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.598 3.727 -11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.429 4.664 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.987 2.406 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.583 1.680 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.455 2.528 -14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.074 3.582 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.091 1.610 -16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.346 1.626 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.008 0.605 -14.663 1.00 0.00 H new ATOM 220 N VAL A 18 -2.160 3.519 -8.967 1.00 0.00 N ATOM 221 CA VAL A 18 -3.524 3.052 -8.755 1.00 0.00 C ATOM 222 C VAL A 18 -4.250 3.922 -7.734 1.00 0.00 C ATOM 223 O VAL A 18 -5.452 3.768 -7.514 1.00 0.00 O ATOM 224 CB VAL A 18 -3.548 1.589 -8.275 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.966 1.039 -8.307 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.618 0.735 -9.123 1.00 0.00 C ATOM 0 H VAL A 18 -1.442 2.933 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.035 3.120 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.195 1.558 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.963 0.004 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.602 1.636 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.350 1.083 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.647 -0.296 -8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.939 0.771 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.600 1.117 -9.044 1.00 0.00 H new ATOM 236 N PHE A 19 -3.513 4.837 -7.114 1.00 0.00 N ATOM 237 CA PHE A 19 -4.086 5.732 -6.115 1.00 0.00 C ATOM 238 C PHE A 19 -4.814 6.895 -6.782 1.00 0.00 C ATOM 239 O PHE A 19 -5.777 7.435 -6.237 1.00 0.00 O ATOM 240 CB PHE A 19 -2.991 6.264 -5.188 1.00 0.00 C ATOM 241 CG PHE A 19 -3.525 6.994 -3.988 1.00 0.00 C ATOM 242 CD1 PHE A 19 -3.841 8.340 -4.064 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.708 6.333 -2.785 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.332 9.015 -2.962 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.200 7.001 -1.679 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.511 8.344 -1.768 1.00 0.00 C ATOM 0 H PHE A 19 -2.518 4.979 -7.285 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.807 5.165 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.374 5.431 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.342 6.934 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.702 8.869 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.464 5.284 -2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.575 10.065 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.341 6.474 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.894 8.869 -0.905 1.00 0.00 H new ATOM 256 N THR A 20 -4.346 7.278 -7.967 1.00 0.00 N ATOM 257 CA THR A 20 -4.950 8.377 -8.708 1.00 0.00 C ATOM 258 C THR A 20 -5.518 7.897 -10.039 1.00 0.00 C ATOM 259 O THR A 20 -6.588 8.333 -10.461 1.00 0.00 O ATOM 260 CB THR A 20 -3.932 9.502 -8.973 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.976 9.077 -9.951 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.213 9.895 -7.691 1.00 0.00 C ATOM 0 H THR A 20 -3.550 6.842 -8.433 1.00 0.00 H new ATOM 0 HA THR A 20 -5.759 8.767 -8.091 1.00 0.00 H new ATOM 0 HB THR A 20 -4.473 10.371 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.333 9.798 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.499 10.691 -7.903 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.940 10.246 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.684 9.030 -7.291 1.00 0.00 H new ATOM 270 N ALA A 21 -4.794 6.996 -10.695 1.00 0.00 N ATOM 271 CA ALA A 21 -5.227 6.455 -11.977 1.00 0.00 C ATOM 272 C ALA A 21 -6.536 5.686 -11.834 1.00 0.00 C ATOM 273 O ALA A 21 -7.394 5.733 -12.716 1.00 0.00 O ATOM 274 CB ALA A 21 -4.147 5.558 -12.563 1.00 0.00 C ATOM 0 H ALA A 21 -3.905 6.626 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.399 7.290 -12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.484 5.161 -13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.235 6.136 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.948 4.734 -11.878 1.00 0.00 H new ATOM 280 N ILE A 22 -6.682 4.978 -10.719 1.00 0.00 N ATOM 281 CA ILE A 22 -7.887 4.200 -10.461 1.00 0.00 C ATOM 282 C ILE A 22 -8.700 4.805 -9.322 1.00 0.00 C ATOM 283 O ILE A 22 -9.806 5.306 -9.530 1.00 0.00 O ATOM 284 CB ILE A 22 -7.550 2.738 -10.115 1.00 0.00 C ATOM 285 CG1 ILE A 22 -6.781 2.083 -11.265 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.820 1.959 -9.809 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.741 0.573 -11.183 1.00 0.00 C ATOM 0 H ILE A 22 -5.981 4.927 -9.980 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.478 4.222 -11.377 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.918 2.727 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.238 2.375 -12.210 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.760 2.465 -11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.565 0.927 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.331 2.415 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.476 1.975 -10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.180 0.177 -12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.257 0.272 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.758 0.180 -11.206 1.00 0.00 H new ATOM 299 N THR A 23 -8.144 4.758 -8.115 1.00 0.00 N ATOM 300 CA THR A 23 -8.816 5.302 -6.942 1.00 0.00 C ATOM 301 C THR A 23 -7.918 5.233 -5.712 1.00 0.00 C ATOM 302 O THR A 23 -6.972 4.446 -5.665 1.00 0.00 O ATOM 303 CB THR A 23 -10.129 4.552 -6.648 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.925 5.302 -5.724 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.847 3.170 -6.078 1.00 0.00 C ATOM 0 H THR A 23 -7.229 4.348 -7.925 1.00 0.00 H new ATOM 0 HA THR A 23 -9.044 6.345 -7.164 1.00 0.00 H new ATOM 0 HB THR A 23 -10.673 4.436 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.759 4.819 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.789 2.660 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.266 2.592 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.283 3.267 -5.150 1.00 0.00 H new ATOM 313 N LYS A 24 -8.220 6.060 -4.718 1.00 0.00 N ATOM 314 CA LYS A 24 -7.442 6.092 -3.485 1.00 0.00 C ATOM 315 C LYS A 24 -7.814 4.925 -2.576 1.00 0.00 C ATOM 316 O LYS A 24 -6.953 4.335 -1.922 1.00 0.00 O ATOM 317 CB LYS A 24 -7.665 7.416 -2.751 1.00 0.00 C ATOM 318 CG LYS A 24 -7.608 8.632 -3.658 1.00 0.00 C ATOM 319 CD LYS A 24 -8.428 9.783 -3.100 1.00 0.00 C ATOM 320 CE LYS A 24 -7.865 11.129 -3.531 1.00 0.00 C ATOM 321 NZ LYS A 24 -6.858 11.645 -2.562 1.00 0.00 N ATOM 0 H LYS A 24 -8.999 6.718 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.388 6.003 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.636 7.388 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.912 7.520 -1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.572 8.948 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.979 8.366 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.460 9.694 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.444 9.726 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.406 11.032 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.678 11.849 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.296 12.395 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.345 12.030 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.229 10.870 -2.269 1.00 0.00 H new ATOM 335 N HIS A 25 -9.101 4.595 -2.541 1.00 0.00 N ATOM 336 CA HIS A 25 -9.587 3.496 -1.714 1.00 0.00 C ATOM 337 C HIS A 25 -9.982 2.301 -2.576 1.00 0.00 C ATOM 338 O HIS A 25 -11.157 2.082 -2.874 1.00 0.00 O ATOM 339 CB HIS A 25 -10.780 3.952 -0.873 1.00 0.00 C ATOM 340 CG HIS A 25 -10.639 5.343 -0.338 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.645 6.540 -0.970 1.00 0.00 N flip ATOM 342 CD2 HIS A 25 -10.466 5.620 1.002 1.00 0.00 C flip ATOM 343 CE1 HIS A 25 -10.479 7.508 -0.011 1.00 0.00 C flip ATOM 344 NE2 HIS A 25 -10.373 6.927 1.171 1.00 0.00 N flip ATOM 0 H HIS A 25 -9.826 5.073 -3.076 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.780 3.189 -1.049 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.684 3.895 -1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.911 3.262 -0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.415 4.883 1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.441 8.572 -0.193 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.242 7.406 2.062 1.00 0.00 H new ATOM 353 N PRO A 26 -8.981 1.510 -2.986 1.00 0.00 N ATOM 354 CA PRO A 26 -9.200 0.324 -3.820 1.00 0.00 C ATOM 355 C PRO A 26 -9.904 -0.796 -3.061 1.00 0.00 C ATOM 356 O PRO A 26 -10.096 -0.711 -1.848 1.00 0.00 O ATOM 357 CB PRO A 26 -7.782 -0.103 -4.209 1.00 0.00 C ATOM 358 CG PRO A 26 -6.914 0.429 -3.121 1.00 0.00 C ATOM 359 CD PRO A 26 -7.557 1.711 -2.669 1.00 0.00 C ATOM 0 HA PRO A 26 -9.844 0.539 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.702 -1.187 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.497 0.306 -5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.840 -0.282 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.901 0.606 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.403 1.884 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.146 2.573 -3.194 1.00 0.00 H new ATOM 367 N ASP A 27 -10.287 -1.844 -3.783 1.00 0.00 N ATOM 368 CA ASP A 27 -10.969 -2.981 -3.177 1.00 0.00 C ATOM 369 C ASP A 27 -10.024 -4.171 -3.039 1.00 0.00 C ATOM 370 O ASP A 27 -8.924 -4.169 -3.592 1.00 0.00 O ATOM 371 CB ASP A 27 -12.187 -3.377 -4.012 1.00 0.00 C ATOM 372 CG ASP A 27 -13.143 -4.275 -3.252 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.218 -4.147 -2.012 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.816 -5.106 -3.897 1.00 0.00 O ATOM 0 H ASP A 27 -10.137 -1.929 -4.788 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.301 -2.685 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.714 -2.477 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.854 -3.888 -4.915 1.00 0.00 H new ATOM 379 N GLU A 28 -10.460 -5.184 -2.297 1.00 0.00 N ATOM 380 CA GLU A 28 -9.651 -6.379 -2.085 1.00 0.00 C ATOM 381 C GLU A 28 -9.071 -6.884 -3.403 1.00 0.00 C ATOM 382 O GLU A 28 -7.855 -7.006 -3.554 1.00 0.00 O ATOM 383 CB GLU A 28 -10.488 -7.479 -1.429 1.00 0.00 C ATOM 384 CG GLU A 28 -9.681 -8.703 -1.033 1.00 0.00 C ATOM 385 CD GLU A 28 -10.497 -9.980 -1.079 1.00 0.00 C ATOM 386 OE1 GLU A 28 -11.708 -9.922 -0.780 1.00 0.00 O ATOM 387 OE2 GLU A 28 -9.924 -11.038 -1.414 1.00 0.00 O ATOM 0 H GLU A 28 -11.368 -5.201 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.827 -6.116 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.975 -7.073 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.278 -7.782 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.824 -8.800 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.287 -8.564 -0.026 1.00 0.00 H new ATOM 394 N LYS A 29 -9.950 -7.176 -4.356 1.00 0.00 N ATOM 395 CA LYS A 29 -9.528 -7.668 -5.662 1.00 0.00 C ATOM 396 C LYS A 29 -8.306 -6.904 -6.162 1.00 0.00 C ATOM 397 O LYS A 29 -7.290 -7.504 -6.514 1.00 0.00 O ATOM 398 CB LYS A 29 -10.671 -7.538 -6.672 1.00 0.00 C ATOM 399 CG LYS A 29 -11.642 -8.706 -6.644 1.00 0.00 C ATOM 400 CD LYS A 29 -11.018 -9.965 -7.221 1.00 0.00 C ATOM 401 CE LYS A 29 -11.900 -11.182 -6.987 1.00 0.00 C ATOM 402 NZ LYS A 29 -11.326 -12.410 -7.605 1.00 0.00 N ATOM 0 H LYS A 29 -10.960 -7.080 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.260 -8.719 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.218 -6.617 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.251 -7.449 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.958 -8.893 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.537 -8.450 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.854 -9.834 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.041 -10.129 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.025 -11.339 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.892 -10.997 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.956 -13.217 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.230 -12.270 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.391 -12.602 -7.193 1.00 0.00 H new ATOM 416 N ARG A 30 -8.411 -5.580 -6.188 1.00 0.00 N ATOM 417 CA ARG A 30 -7.313 -4.735 -6.644 1.00 0.00 C ATOM 418 C ARG A 30 -6.030 -5.052 -5.881 1.00 0.00 C ATOM 419 O ARG A 30 -5.021 -5.434 -6.474 1.00 0.00 O ATOM 420 CB ARG A 30 -7.672 -3.258 -6.469 1.00 0.00 C ATOM 421 CG ARG A 30 -7.003 -2.345 -7.484 1.00 0.00 C ATOM 422 CD ARG A 30 -7.847 -1.111 -7.764 1.00 0.00 C ATOM 423 NE ARG A 30 -9.051 -1.433 -8.525 1.00 0.00 N ATOM 424 CZ ARG A 30 -9.035 -1.831 -9.792 1.00 0.00 C ATOM 425 NH1 ARG A 30 -7.884 -1.956 -10.437 1.00 0.00 N ATOM 426 NH2 ARG A 30 -10.173 -2.105 -10.417 1.00 0.00 N ATOM 0 H ARG A 30 -9.245 -5.069 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.146 -4.938 -7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.753 -3.144 -6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.390 -2.940 -5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.024 -2.041 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.836 -2.891 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.129 -0.643 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.253 -0.383 -8.316 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.954 -1.348 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.007 -1.746 -9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.875 -2.262 -11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.061 -2.010 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.160 -2.411 -11.390 1.00 0.00 H new ATOM 440 N LEU A 31 -6.076 -4.890 -4.563 1.00 0.00 N ATOM 441 CA LEU A 31 -4.918 -5.159 -3.719 1.00 0.00 C ATOM 442 C LEU A 31 -4.270 -6.489 -4.089 1.00 0.00 C ATOM 443 O LEU A 31 -3.058 -6.565 -4.289 1.00 0.00 O ATOM 444 CB LEU A 31 -5.328 -5.171 -2.245 1.00 0.00 C ATOM 445 CG LEU A 31 -6.092 -3.942 -1.751 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.035 -4.320 -0.619 1.00 0.00 C ATOM 447 CD2 LEU A 31 -5.124 -2.857 -1.302 1.00 0.00 C ATOM 0 H LEU A 31 -6.903 -4.574 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.190 -4.364 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.944 -6.053 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.429 -5.283 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.687 -3.551 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.570 -3.433 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.750 -5.062 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.461 -4.736 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.685 -1.990 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.503 -3.237 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.490 -2.566 -2.139 1.00 0.00 H new ATOM 459 N GLU A 32 -5.087 -7.534 -4.181 1.00 0.00 N ATOM 460 CA GLU A 32 -4.592 -8.861 -4.529 1.00 0.00 C ATOM 461 C GLU A 32 -3.663 -8.795 -5.737 1.00 0.00 C ATOM 462 O GLU A 32 -2.687 -9.539 -5.824 1.00 0.00 O ATOM 463 CB GLU A 32 -5.761 -9.804 -4.821 1.00 0.00 C ATOM 464 CG GLU A 32 -6.310 -10.495 -3.584 1.00 0.00 C ATOM 465 CD GLU A 32 -7.017 -11.796 -3.908 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.015 -11.759 -4.657 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.572 -12.853 -3.411 1.00 0.00 O ATOM 0 H GLU A 32 -6.093 -7.487 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.028 -9.246 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.562 -9.239 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.437 -10.561 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.493 -10.693 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.004 -9.825 -3.076 1.00 0.00 H new ATOM 474 N GLY A 33 -3.975 -7.899 -6.668 1.00 0.00 N ATOM 475 CA GLY A 33 -3.159 -7.753 -7.860 1.00 0.00 C ATOM 476 C GLY A 33 -1.784 -7.191 -7.556 1.00 0.00 C ATOM 477 O GLY A 33 -0.778 -7.682 -8.068 1.00 0.00 O ATOM 0 H GLY A 33 -4.778 -7.272 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.052 -8.723 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.668 -7.098 -8.567 1.00 0.00 H new ATOM 481 N LEU A 34 -1.740 -6.158 -6.722 1.00 0.00 N ATOM 482 CA LEU A 34 -0.478 -5.527 -6.351 1.00 0.00 C ATOM 483 C LEU A 34 0.426 -6.510 -5.614 1.00 0.00 C ATOM 484 O LEU A 34 1.647 -6.479 -5.765 1.00 0.00 O ATOM 485 CB LEU A 34 -0.737 -4.299 -5.476 1.00 0.00 C ATOM 486 CG LEU A 34 -1.123 -3.018 -6.216 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.640 -1.973 -5.239 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.064 -2.476 -6.999 1.00 0.00 C ATOM 0 H LEU A 34 -2.564 -5.739 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 34 0.026 -5.214 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.532 -4.541 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.160 -4.100 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.921 -3.254 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.910 -1.068 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.518 -2.361 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.863 -1.740 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.229 -1.564 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.882 -2.255 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.390 -3.220 -7.726 1.00 0.00 H new ATOM 500 N SER A 35 -0.182 -7.382 -4.817 1.00 0.00 N ATOM 501 CA SER A 35 0.568 -8.373 -4.054 1.00 0.00 C ATOM 502 C SER A 35 1.735 -8.918 -4.872 1.00 0.00 C ATOM 503 O SER A 35 2.780 -9.271 -4.325 1.00 0.00 O ATOM 504 CB SER A 35 -0.350 -9.521 -3.628 1.00 0.00 C ATOM 505 OG SER A 35 0.399 -10.609 -3.115 1.00 0.00 O ATOM 0 H SER A 35 -1.192 -7.423 -4.683 1.00 0.00 H new ATOM 0 HA SER A 35 0.966 -7.886 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.051 -9.169 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.942 -9.853 -4.481 1.00 0.00 H new ATOM 0 HG SER A 35 0.931 -10.308 -2.349 1.00 0.00 H new ATOM 511 N LYS A 36 1.550 -8.983 -6.186 1.00 0.00 N ATOM 512 CA LYS A 36 2.586 -9.482 -7.082 1.00 0.00 C ATOM 513 C LYS A 36 3.705 -8.459 -7.243 1.00 0.00 C ATOM 514 O LYS A 36 4.847 -8.710 -6.857 1.00 0.00 O ATOM 515 CB LYS A 36 1.988 -9.819 -8.449 1.00 0.00 C ATOM 516 CG LYS A 36 2.720 -10.934 -9.176 1.00 0.00 C ATOM 517 CD LYS A 36 3.873 -10.395 -10.006 1.00 0.00 C ATOM 518 CE LYS A 36 4.788 -11.513 -10.481 1.00 0.00 C ATOM 519 NZ LYS A 36 6.147 -11.009 -10.825 1.00 0.00 N ATOM 0 H LYS A 36 0.691 -8.696 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 36 3.006 -10.387 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.944 -10.106 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.998 -8.924 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.098 -11.655 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.023 -11.467 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.481 -9.854 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.446 -9.681 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.868 -12.272 -9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.348 -11.996 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.740 -11.801 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.073 -10.303 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.577 -10.570 -9.986 1.00 0.00 H new ATOM 533 N GLN A 37 3.370 -7.307 -7.813 1.00 0.00 N ATOM 534 CA GLN A 37 4.348 -6.246 -8.024 1.00 0.00 C ATOM 535 C GLN A 37 5.047 -5.883 -6.718 1.00 0.00 C ATOM 536 O GLN A 37 6.268 -5.994 -6.604 1.00 0.00 O ATOM 537 CB GLN A 37 3.670 -5.008 -8.615 1.00 0.00 C ATOM 538 CG GLN A 37 3.350 -5.138 -10.095 1.00 0.00 C ATOM 539 CD GLN A 37 2.144 -4.316 -10.506 1.00 0.00 C ATOM 540 OE1 GLN A 37 2.254 -3.394 -11.314 1.00 0.00 O ATOM 541 NE2 GLN A 37 0.985 -4.646 -9.949 1.00 0.00 N ATOM 0 H GLN A 37 2.429 -7.084 -8.137 1.00 0.00 H new ATOM 0 HA GLN A 37 5.097 -6.611 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.747 -4.813 -8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.317 -4.144 -8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.215 -4.824 -10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.169 -6.186 -10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.940 -5.418 -9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.139 -4.128 -10.186 1.00 0.00 H new ATOM 550 N LEU A 38 4.266 -5.448 -5.736 1.00 0.00 N ATOM 551 CA LEU A 38 4.810 -5.068 -4.437 1.00 0.00 C ATOM 552 C LEU A 38 5.452 -6.265 -3.744 1.00 0.00 C ATOM 553 O LEU A 38 6.383 -6.111 -2.953 1.00 0.00 O ATOM 554 CB LEU A 38 3.708 -4.482 -3.552 1.00 0.00 C ATOM 555 CG LEU A 38 2.745 -3.509 -4.234 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.752 -2.948 -3.228 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.515 -2.385 -4.911 1.00 0.00 C ATOM 0 H LEU A 38 3.254 -5.350 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 38 5.578 -4.311 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.127 -5.305 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.178 -3.969 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 38 2.188 -4.052 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.075 -2.258 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.178 -3.764 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.290 -2.419 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.814 -1.702 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.098 -1.843 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.186 -2.804 -5.661 1.00 0.00 H new ATOM 569 N ASP A 39 4.950 -7.457 -4.047 1.00 0.00 N ATOM 570 CA ASP A 39 5.476 -8.681 -3.456 1.00 0.00 C ATOM 571 C ASP A 39 5.142 -8.755 -1.969 1.00 0.00 C ATOM 572 O ASP A 39 5.839 -9.415 -1.198 1.00 0.00 O ATOM 573 CB ASP A 39 6.991 -8.759 -3.655 1.00 0.00 C ATOM 574 CG ASP A 39 7.508 -10.183 -3.614 1.00 0.00 C ATOM 575 OD1 ASP A 39 7.317 -10.912 -4.609 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.104 -10.569 -2.586 1.00 0.00 O ATOM 0 H ASP A 39 4.179 -7.601 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 39 5.007 -9.527 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.252 -8.308 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.487 -8.173 -2.881 1.00 0.00 H new ATOM 581 N TRP A 40 4.073 -8.073 -1.575 1.00 0.00 N ATOM 582 CA TRP A 40 3.647 -8.060 -0.180 1.00 0.00 C ATOM 583 C TRP A 40 2.312 -8.779 -0.011 1.00 0.00 C ATOM 584 O TRP A 40 1.691 -9.191 -0.991 1.00 0.00 O ATOM 585 CB TRP A 40 3.533 -6.622 0.327 1.00 0.00 C ATOM 586 CG TRP A 40 4.694 -5.760 -0.066 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.953 -6.179 -0.392 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.705 -4.332 -0.172 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.744 -5.098 -0.695 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.002 -3.953 -0.568 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.744 -3.337 0.027 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.361 -2.623 -0.767 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.102 -2.017 -0.171 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.400 -1.669 -0.565 1.00 0.00 C ATOM 0 H TRP A 40 3.486 -7.522 -2.201 1.00 0.00 H new ATOM 0 HA TRP A 40 4.399 -8.586 0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.614 -6.180 -0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.449 -6.633 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.278 -7.209 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.725 -5.141 -0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.740 -3.595 0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.362 -2.353 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.368 -1.240 -0.019 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.648 -0.628 -0.712 1.00 0.00 H new ATOM 605 N ASP A 41 1.877 -8.925 1.235 1.00 0.00 N ATOM 606 CA ASP A 41 0.615 -9.593 1.531 1.00 0.00 C ATOM 607 C ASP A 41 -0.563 -8.646 1.321 1.00 0.00 C ATOM 608 O ASP A 41 -0.463 -7.447 1.579 1.00 0.00 O ATOM 609 CB ASP A 41 0.615 -10.115 2.968 1.00 0.00 C ATOM 610 CG ASP A 41 -0.421 -11.200 3.190 1.00 0.00 C ATOM 611 OD1 ASP A 41 -0.512 -12.115 2.345 1.00 0.00 O ATOM 612 OD2 ASP A 41 -1.142 -11.134 4.208 1.00 0.00 O ATOM 0 H ASP A 41 2.380 -8.590 2.057 1.00 0.00 H new ATOM 0 HA ASP A 41 0.508 -10.435 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.603 -10.506 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.423 -9.288 3.652 1.00 0.00 H new ATOM 617 N VAL A 42 -1.679 -9.194 0.849 1.00 0.00 N ATOM 618 CA VAL A 42 -2.876 -8.399 0.604 1.00 0.00 C ATOM 619 C VAL A 42 -3.146 -7.441 1.759 1.00 0.00 C ATOM 620 O VAL A 42 -3.728 -6.373 1.570 1.00 0.00 O ATOM 621 CB VAL A 42 -4.111 -9.295 0.394 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.357 -8.447 0.185 1.00 0.00 C ATOM 623 CG2 VAL A 42 -3.893 -10.236 -0.781 1.00 0.00 C ATOM 0 H VAL A 42 -1.778 -10.185 0.629 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.694 -7.825 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.257 -9.898 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.219 -9.097 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.521 -7.819 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.225 -7.816 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.776 -10.862 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.720 -9.654 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.027 -10.868 -0.585 1.00 0.00 H new ATOM 633 N ARG A 43 -2.719 -7.831 2.955 1.00 0.00 N ATOM 634 CA ARG A 43 -2.915 -7.007 4.142 1.00 0.00 C ATOM 635 C ARG A 43 -1.781 -5.999 4.298 1.00 0.00 C ATOM 636 O ARG A 43 -1.977 -4.906 4.829 1.00 0.00 O ATOM 637 CB ARG A 43 -3.005 -7.887 5.391 1.00 0.00 C ATOM 638 CG ARG A 43 -4.198 -8.828 5.388 1.00 0.00 C ATOM 639 CD ARG A 43 -4.652 -9.157 6.802 1.00 0.00 C ATOM 640 NE ARG A 43 -5.007 -7.957 7.555 1.00 0.00 N ATOM 641 CZ ARG A 43 -5.136 -7.930 8.877 1.00 0.00 C ATOM 642 NH1 ARG A 43 -4.939 -9.032 9.588 1.00 0.00 N ATOM 643 NH2 ARG A 43 -5.462 -6.800 9.491 1.00 0.00 N ATOM 0 H ARG A 43 -2.235 -8.712 3.128 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.850 -6.460 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.090 -8.474 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.059 -7.248 6.272 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.021 -8.372 4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.936 -9.748 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.511 -9.827 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.857 -9.690 7.323 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.165 -7.092 7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.688 -9.903 9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.039 -9.009 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.614 -5.950 8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.561 -6.781 10.506 1.00 0.00 H new ATOM 657 N SER A 44 -0.594 -6.374 3.832 1.00 0.00 N ATOM 658 CA SER A 44 0.573 -5.505 3.923 1.00 0.00 C ATOM 659 C SER A 44 0.461 -4.340 2.944 1.00 0.00 C ATOM 660 O SER A 44 1.180 -3.347 3.059 1.00 0.00 O ATOM 661 CB SER A 44 1.850 -6.299 3.644 1.00 0.00 C ATOM 662 OG SER A 44 1.911 -7.466 4.446 1.00 0.00 O ATOM 0 H SER A 44 -0.415 -7.274 3.387 1.00 0.00 H new ATOM 0 HA SER A 44 0.617 -5.103 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.887 -6.576 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.721 -5.673 3.840 1.00 0.00 H new ATOM 0 HG SER A 44 2.736 -7.957 4.247 1.00 0.00 H new ATOM 668 N ILE A 45 -0.446 -4.470 1.981 1.00 0.00 N ATOM 669 CA ILE A 45 -0.653 -3.429 0.983 1.00 0.00 C ATOM 670 C ILE A 45 -1.514 -2.299 1.538 1.00 0.00 C ATOM 671 O ILE A 45 -1.072 -1.153 1.619 1.00 0.00 O ATOM 672 CB ILE A 45 -1.321 -3.991 -0.286 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.525 -5.183 -0.822 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.439 -2.907 -1.347 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.195 -5.884 -1.983 1.00 0.00 C ATOM 0 H ILE A 45 -1.049 -5.286 1.871 1.00 0.00 H new ATOM 0 HA ILE A 45 0.332 -3.040 0.724 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.324 -4.333 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.461 -4.840 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.372 -5.899 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.913 -3.320 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.043 -2.085 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.446 -2.538 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.575 -6.718 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.170 -6.258 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.324 -5.182 -2.807 1.00 0.00 H new ATOM 687 N GLN A 46 -2.743 -2.631 1.920 1.00 0.00 N ATOM 688 CA GLN A 46 -3.665 -1.643 2.468 1.00 0.00 C ATOM 689 C GLN A 46 -2.938 -0.678 3.399 1.00 0.00 C ATOM 690 O GLN A 46 -3.239 0.515 3.431 1.00 0.00 O ATOM 691 CB GLN A 46 -4.801 -2.338 3.221 1.00 0.00 C ATOM 692 CG GLN A 46 -5.865 -2.925 2.308 1.00 0.00 C ATOM 693 CD GLN A 46 -7.048 -3.484 3.074 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.927 -2.740 3.511 1.00 0.00 O ATOM 695 NE2 GLN A 46 -7.077 -4.801 3.241 1.00 0.00 N ATOM 0 H GLN A 46 -3.123 -3.576 1.860 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.083 -1.073 1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.384 -3.134 3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.269 -1.623 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.214 -2.154 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.423 -3.716 1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.327 -5.380 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.849 -5.234 3.748 1.00 0.00 H new ATOM 704 N ARG A 47 -1.980 -1.203 4.156 1.00 0.00 N ATOM 705 CA ARG A 47 -1.211 -0.388 5.089 1.00 0.00 C ATOM 706 C ARG A 47 -0.691 0.874 4.408 1.00 0.00 C ATOM 707 O ARG A 47 -0.798 1.973 4.952 1.00 0.00 O ATOM 708 CB ARG A 47 -0.040 -1.193 5.657 1.00 0.00 C ATOM 709 CG ARG A 47 -0.436 -2.126 6.790 1.00 0.00 C ATOM 710 CD ARG A 47 0.786 -2.703 7.489 1.00 0.00 C ATOM 711 NE ARG A 47 0.457 -3.887 8.277 1.00 0.00 N ATOM 712 CZ ARG A 47 1.352 -4.576 8.977 1.00 0.00 C ATOM 713 NH1 ARG A 47 2.623 -4.200 8.986 1.00 0.00 N ATOM 714 NH2 ARG A 47 0.975 -5.643 9.670 1.00 0.00 N ATOM 0 H ARG A 47 -1.718 -2.189 4.142 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.871 -0.094 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.410 -1.779 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.724 -0.503 6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.048 -1.585 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.049 -2.937 6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.541 -2.960 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.224 -1.945 8.139 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.513 -4.203 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.916 -3.380 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.308 -4.731 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.002 -5.935 9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.663 -6.171 10.207 1.00 0.00 H new ATOM 728 N TRP A 48 -0.129 0.708 3.217 1.00 0.00 N ATOM 729 CA TRP A 48 0.408 1.835 2.461 1.00 0.00 C ATOM 730 C TRP A 48 -0.703 2.795 2.053 1.00 0.00 C ATOM 731 O TRP A 48 -0.570 4.011 2.197 1.00 0.00 O ATOM 732 CB TRP A 48 1.150 1.336 1.220 1.00 0.00 C ATOM 733 CG TRP A 48 1.860 2.425 0.475 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.169 2.791 0.609 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.300 3.290 -0.519 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.456 3.832 -0.241 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.326 4.156 -0.945 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.031 3.416 -1.092 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.121 5.133 -1.915 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.171 4.386 -2.055 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.869 5.234 -2.459 1.00 0.00 C ATOM 0 H TRP A 48 -0.033 -0.195 2.753 1.00 0.00 H new ATOM 0 HA TRP A 48 1.108 2.371 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.874 0.578 1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.439 0.851 0.551 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.875 2.330 1.284 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.363 4.289 -0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.777 2.767 -0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.921 5.788 -2.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.147 4.493 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.679 5.982 -3.214 1.00 0.00 H new ATOM 752 N PHE A 49 -1.799 2.243 1.543 1.00 0.00 N ATOM 753 CA PHE A 49 -2.933 3.053 1.113 1.00 0.00 C ATOM 754 C PHE A 49 -3.472 3.891 2.268 1.00 0.00 C ATOM 755 O PHE A 49 -3.552 5.116 2.176 1.00 0.00 O ATOM 756 CB PHE A 49 -4.043 2.158 0.557 1.00 0.00 C ATOM 757 CG PHE A 49 -3.906 1.877 -0.913 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.059 2.893 -1.843 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.625 0.598 -1.364 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.934 2.637 -3.195 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.499 0.336 -2.715 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.653 1.357 -3.632 1.00 0.00 C ATOM 0 H PHE A 49 -1.926 1.239 1.417 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.590 3.727 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.044 1.213 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.007 2.632 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.278 3.896 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.503 -0.204 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.056 3.437 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.280 -0.666 -3.053 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.554 1.155 -4.688 1.00 0.00 H new ATOM 772 N ARG A 50 -3.841 3.222 3.356 1.00 0.00 N ATOM 773 CA ARG A 50 -4.374 3.905 4.529 1.00 0.00 C ATOM 774 C ARG A 50 -3.373 4.922 5.067 1.00 0.00 C ATOM 775 O ARG A 50 -3.739 6.048 5.403 1.00 0.00 O ATOM 776 CB ARG A 50 -4.724 2.891 5.620 1.00 0.00 C ATOM 777 CG ARG A 50 -3.519 2.145 6.167 1.00 0.00 C ATOM 778 CD ARG A 50 -3.913 1.195 7.288 1.00 0.00 C ATOM 779 NE ARG A 50 -4.735 1.854 8.299 1.00 0.00 N ATOM 780 CZ ARG A 50 -5.421 1.199 9.229 1.00 0.00 C ATOM 781 NH1 ARG A 50 -5.383 -0.126 9.275 1.00 0.00 N ATOM 782 NH2 ARG A 50 -6.147 1.868 10.115 1.00 0.00 N ATOM 0 H ARG A 50 -3.781 2.208 3.449 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.279 4.435 4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.223 3.409 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.436 2.170 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.042 1.584 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.784 2.860 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.460 0.349 6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.014 0.794 7.756 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.785 2.873 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.826 -0.644 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.911 -0.627 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.179 2.887 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.673 1.363 10.828 1.00 0.00 H new ATOM 796 N GLN A 51 -2.110 4.517 5.146 1.00 0.00 N ATOM 797 CA GLN A 51 -1.057 5.394 5.645 1.00 0.00 C ATOM 798 C GLN A 51 -0.913 6.629 4.762 1.00 0.00 C ATOM 799 O GLN A 51 -0.802 7.750 5.260 1.00 0.00 O ATOM 800 CB GLN A 51 0.274 4.642 5.711 1.00 0.00 C ATOM 801 CG GLN A 51 0.479 3.881 7.011 1.00 0.00 C ATOM 802 CD GLN A 51 1.944 3.707 7.360 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.654 2.919 6.734 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.406 4.444 8.363 1.00 0.00 N ATOM 0 H GLN A 51 -1.791 3.588 4.871 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.334 5.717 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.328 3.942 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.090 5.353 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.023 4.411 7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.009 2.901 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.783 5.084 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.384 4.370 8.642 1.00 0.00 H new ATOM 813 N ARG A 52 -0.915 6.416 3.451 1.00 0.00 N ATOM 814 CA ARG A 52 -0.784 7.513 2.499 1.00 0.00 C ATOM 815 C ARG A 52 -1.912 8.525 2.675 1.00 0.00 C ATOM 816 O ARG A 52 -1.668 9.695 2.971 1.00 0.00 O ATOM 817 CB ARG A 52 -0.786 6.976 1.066 1.00 0.00 C ATOM 818 CG ARG A 52 -0.297 7.982 0.037 1.00 0.00 C ATOM 819 CD ARG A 52 1.220 8.093 0.044 1.00 0.00 C ATOM 820 NE ARG A 52 1.706 9.003 -0.990 1.00 0.00 N ATOM 821 CZ ARG A 52 2.993 9.176 -1.271 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.917 8.503 -0.599 1.00 0.00 N ATOM 823 NH2 ARG A 52 3.357 10.022 -2.226 1.00 0.00 N ATOM 0 H ARG A 52 -1.006 5.494 3.023 1.00 0.00 H new ATOM 0 HA ARG A 52 0.164 8.015 2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.157 6.087 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.798 6.665 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.637 7.684 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.735 8.958 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.554 8.443 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.657 7.106 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 52 1.020 9.535 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.640 7.851 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.905 8.637 -0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.649 10.540 -2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.345 10.154 -2.441 1.00 0.00 H new ATOM 837 N ARG A 53 -3.145 8.066 2.492 1.00 0.00 N ATOM 838 CA ARG A 53 -4.311 8.931 2.630 1.00 0.00 C ATOM 839 C ARG A 53 -4.156 9.865 3.826 1.00 0.00 C ATOM 840 O ARG A 53 -4.448 11.057 3.738 1.00 0.00 O ATOM 841 CB ARG A 53 -5.580 8.092 2.785 1.00 0.00 C ATOM 842 CG ARG A 53 -5.934 7.288 1.545 1.00 0.00 C ATOM 843 CD ARG A 53 -7.403 6.895 1.536 1.00 0.00 C ATOM 844 NE ARG A 53 -7.741 6.015 2.651 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.464 4.716 2.672 1.00 0.00 C ATOM 846 NH1 ARG A 53 -6.847 4.150 1.643 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.804 3.981 3.723 1.00 0.00 N ATOM 0 H ARG A 53 -3.363 7.100 2.248 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.392 9.536 1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.454 7.410 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.413 8.751 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.707 7.873 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.316 6.391 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.019 7.793 1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.639 6.396 0.596 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.216 6.420 3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.584 4.712 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.635 3.152 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.278 4.413 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.591 2.984 3.738 1.00 0.00 H new ATOM 861 N ASN A 54 -3.695 9.315 4.945 1.00 0.00 N ATOM 862 CA ASN A 54 -3.503 10.098 6.160 1.00 0.00 C ATOM 863 C ASN A 54 -2.698 11.362 5.870 1.00 0.00 C ATOM 864 O ASN A 54 -3.050 12.450 6.324 1.00 0.00 O ATOM 865 CB ASN A 54 -2.793 9.260 7.225 1.00 0.00 C ATOM 866 CG ASN A 54 -2.852 9.900 8.598 1.00 0.00 C ATOM 867 OD1 ASN A 54 -2.527 11.076 8.762 1.00 0.00 O ATOM 868 ND2 ASN A 54 -3.269 9.126 9.594 1.00 0.00 N ATOM 0 H ASN A 54 -3.447 8.330 5.035 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.484 10.391 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.249 8.271 7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.751 9.119 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.330 9.501 10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.528 8.156 9.412 1.00 0.00 H new ATOM 875 N GLN A 55 -1.618 11.208 5.112 1.00 0.00 N ATOM 876 CA GLN A 55 -0.763 12.336 4.763 1.00 0.00 C ATOM 877 C GLN A 55 -1.583 13.475 4.166 1.00 0.00 C ATOM 878 O GLN A 55 -1.382 14.641 4.505 1.00 0.00 O ATOM 879 CB GLN A 55 0.318 11.897 3.774 1.00 0.00 C ATOM 880 CG GLN A 55 1.430 11.080 4.411 1.00 0.00 C ATOM 881 CD GLN A 55 2.539 11.946 4.978 1.00 0.00 C ATOM 882 OE1 GLN A 55 2.800 13.043 4.483 1.00 0.00 O ATOM 883 NE2 GLN A 55 3.198 11.456 6.021 1.00 0.00 N ATOM 0 H GLN A 55 -1.314 10.313 4.728 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.286 12.695 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.144 11.310 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.751 12.781 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.013 10.464 5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.848 10.401 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.948 10.542 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.954 11.993 6.445 1.00 0.00 H new ATOM 892 N GLU A 56 -2.507 13.129 3.275 1.00 0.00 N ATOM 893 CA GLU A 56 -3.356 14.124 2.630 1.00 0.00 C ATOM 894 C GLU A 56 -4.832 13.797 2.839 1.00 0.00 C ATOM 895 O GLU A 56 -5.335 12.793 2.334 1.00 0.00 O ATOM 896 CB GLU A 56 -3.046 14.199 1.134 1.00 0.00 C ATOM 897 CG GLU A 56 -2.780 12.844 0.499 1.00 0.00 C ATOM 898 CD GLU A 56 -1.345 12.388 0.676 1.00 0.00 C ATOM 899 OE1 GLU A 56 -0.447 13.256 0.709 1.00 0.00 O ATOM 900 OE2 GLU A 56 -1.119 11.165 0.783 1.00 0.00 O ATOM 0 H GLU A 56 -2.687 12.168 2.984 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.148 15.092 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.883 14.673 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.176 14.839 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.449 12.104 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.013 12.893 -0.565 1.00 0.00 H new ATOM 907 N LYS A 57 -5.521 14.652 3.587 1.00 0.00 N ATOM 908 CA LYS A 57 -6.939 14.457 3.864 1.00 0.00 C ATOM 909 C LYS A 57 -7.650 15.796 4.030 1.00 0.00 C ATOM 910 O LYS A 57 -7.104 16.752 4.581 1.00 0.00 O ATOM 911 CB LYS A 57 -7.122 13.610 5.125 1.00 0.00 C ATOM 912 CG LYS A 57 -8.557 13.557 5.619 1.00 0.00 C ATOM 913 CD LYS A 57 -8.624 13.262 7.108 1.00 0.00 C ATOM 914 CE LYS A 57 -8.274 11.811 7.405 1.00 0.00 C ATOM 915 NZ LYS A 57 -8.957 11.316 8.632 1.00 0.00 N ATOM 0 H LYS A 57 -5.120 15.488 4.013 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.381 13.934 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.778 12.595 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.489 14.010 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.049 14.508 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.103 12.790 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.938 13.920 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.626 13.479 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.556 11.188 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.195 11.715 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.693 10.324 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.669 11.894 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.987 11.383 8.507 1.00 0.00 H new ATOM 929 N PRO A 58 -8.899 15.868 3.544 1.00 0.00 N ATOM 930 CA PRO A 58 -9.712 17.085 3.630 1.00 0.00 C ATOM 931 C PRO A 58 -10.145 17.394 5.059 1.00 0.00 C ATOM 932 O PRO A 58 -11.065 16.770 5.587 1.00 0.00 O ATOM 933 CB PRO A 58 -10.929 16.760 2.760 1.00 0.00 C ATOM 934 CG PRO A 58 -11.026 15.274 2.785 1.00 0.00 C ATOM 935 CD PRO A 58 -9.612 14.768 2.875 1.00 0.00 C ATOM 0 HA PRO A 58 -9.161 17.967 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.833 17.223 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.800 17.131 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.616 14.936 3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.518 14.900 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.552 13.843 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.196 14.560 1.889 1.00 0.00 H new ATOM 943 N SER A 59 -9.476 18.361 5.679 1.00 0.00 N ATOM 944 CA SER A 59 -9.791 18.750 7.049 1.00 0.00 C ATOM 945 C SER A 59 -10.984 19.700 7.083 1.00 0.00 C ATOM 946 O SER A 59 -11.231 20.440 6.132 1.00 0.00 O ATOM 947 CB SER A 59 -8.577 19.413 7.704 1.00 0.00 C ATOM 948 OG SER A 59 -8.079 20.471 6.902 1.00 0.00 O ATOM 0 H SER A 59 -8.713 18.889 5.255 1.00 0.00 H new ATOM 0 HA SER A 59 -10.050 17.850 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.854 19.796 8.686 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.794 18.671 7.860 1.00 0.00 H new ATOM 0 HG SER A 59 -7.305 20.879 7.343 1.00 0.00 H new ATOM 954 N GLY A 60 -11.722 19.672 8.189 1.00 0.00 N ATOM 955 CA GLY A 60 -12.882 20.534 8.328 1.00 0.00 C ATOM 956 C GLY A 60 -14.157 19.754 8.577 1.00 0.00 C ATOM 957 O GLY A 60 -14.134 18.550 8.834 1.00 0.00 O ATOM 0 H GLY A 60 -11.538 19.069 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.718 21.229 9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.996 21.133 7.424 1.00 0.00 H new ATOM 961 N PRO A 61 -15.303 20.448 8.503 1.00 0.00 N ATOM 962 CA PRO A 61 -16.616 19.833 8.721 1.00 0.00 C ATOM 963 C PRO A 61 -17.004 18.882 7.594 1.00 0.00 C ATOM 964 O PRO A 61 -17.666 19.279 6.634 1.00 0.00 O ATOM 965 CB PRO A 61 -17.567 21.031 8.761 1.00 0.00 C ATOM 966 CG PRO A 61 -16.877 22.089 7.970 1.00 0.00 C ATOM 967 CD PRO A 61 -15.406 21.885 8.202 1.00 0.00 C ATOM 0 HA PRO A 61 -16.637 19.225 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -18.536 20.782 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -17.749 21.358 9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -17.120 22.006 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -17.189 23.083 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -14.820 22.154 7.323 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -15.041 22.496 9.028 1.00 0.00 H new ATOM 975 N SER A 62 -16.590 17.625 7.716 1.00 0.00 N ATOM 976 CA SER A 62 -16.892 16.618 6.706 1.00 0.00 C ATOM 977 C SER A 62 -18.306 16.802 6.162 1.00 0.00 C ATOM 978 O SER A 62 -19.281 16.757 6.911 1.00 0.00 O ATOM 979 CB SER A 62 -16.737 15.214 7.292 1.00 0.00 C ATOM 980 OG SER A 62 -16.751 14.231 6.272 1.00 0.00 O ATOM 0 H SER A 62 -16.044 17.280 8.505 1.00 0.00 H new ATOM 0 HA SER A 62 -16.186 16.740 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.803 15.151 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.544 15.021 7.999 1.00 0.00 H new ATOM 0 HG SER A 62 -16.649 13.342 6.673 1.00 0.00 H new ATOM 986 N SER A 63 -18.407 17.008 4.853 1.00 0.00 N ATOM 987 CA SER A 63 -19.700 17.202 4.207 1.00 0.00 C ATOM 988 C SER A 63 -20.302 15.866 3.784 1.00 0.00 C ATOM 989 O SER A 63 -19.711 15.128 2.997 1.00 0.00 O ATOM 990 CB SER A 63 -19.554 18.117 2.990 1.00 0.00 C ATOM 991 OG SER A 63 -19.548 19.481 3.375 1.00 0.00 O ATOM 0 H SER A 63 -17.609 17.045 4.219 1.00 0.00 H new ATOM 0 HA SER A 63 -20.371 17.671 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.630 17.881 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.373 17.936 2.294 1.00 0.00 H new ATOM 0 HG SER A 63 -19.452 20.045 2.579 1.00 0.00 H new ATOM 997 N GLY A 64 -21.483 15.561 4.313 1.00 0.00 N ATOM 998 CA GLY A 64 -22.147 14.315 3.979 1.00 0.00 C ATOM 999 C GLY A 64 -22.639 13.573 5.206 1.00 0.00 C ATOM 1000 O GLY A 64 -23.491 12.691 5.106 1.00 0.00 O ATOM 0 H GLY A 64 -21.992 16.155 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -22.991 14.522 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -21.459 13.677 3.424 1.00 0.00 H new TER 1004 GLY A 64