USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 40 HIS :FLIP no HD1:sc= 0.334 F(o=-0.91,f=0.65) USER MOD Set 1.2: A 44 THR OG1 : rot 159:sc= 0.319 USER MOD Set 2.1: A 26 MET CE :methyl -104:sc= -3.06 (180deg=-6.61!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.11) USER MOD Set 3.1: A 19 GLN : amide:sc= 0 X(o=-0.99,f=-1.1) USER MOD Set 3.2: A 22 HIS : no HE2:sc= -0.994 K(o=-0.99,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0912) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0987) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0.16 (180deg=0.0398) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -5:sc= 0.228 USER MOD Single : A 43 SER OG : rot 86:sc= 0.34 USER MOD Single : A 45 MET CE :methyl -107:sc= -0.18 (180deg=-1.45) USER MOD Single : A 47 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.5!) USER MOD Single : A 48 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.95) USER MOD Single : A 50 ASN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 32:sc= 0.0371 USER MOD Single : A 67 THR OG1 : rot -83:sc= 1.99 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.213 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= -0.794 (180deg=-1.1) USER MOD Single : A 82 TYR OH : rot -34:sc= 0.00851 USER MOD Single : A 91 SER OG : rot 75:sc= 0.144 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 97 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.070 7.739 6.824 1.00 0.00 N ATOM 2 CA MET A 1 -12.672 7.799 5.390 1.00 0.00 C ATOM 3 C MET A 1 -11.448 8.693 5.191 1.00 0.00 C ATOM 4 O MET A 1 -11.529 9.911 5.355 1.00 0.00 O ATOM 5 CB MET A 1 -13.855 8.338 4.578 1.00 0.00 C ATOM 6 CG MET A 1 -14.021 7.675 3.220 1.00 0.00 C ATOM 7 SD MET A 1 -14.662 8.807 1.972 1.00 0.00 S ATOM 8 CE MET A 1 -15.919 7.789 1.203 1.00 0.00 C ATOM 0 H1 MET A 1 -13.903 7.125 6.928 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.284 7.354 7.387 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.301 8.696 7.161 1.00 0.00 H new ATOM 0 HA MET A 1 -12.406 6.798 5.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.771 8.201 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.726 9.411 4.435 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.059 7.283 2.891 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.696 6.824 3.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.407 8.352 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.457 6.895 0.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.659 7.499 1.949 1.00 0.00 H new ATOM 20 N VAL A 2 -10.319 8.082 4.836 1.00 0.00 N ATOM 21 CA VAL A 2 -9.082 8.830 4.613 1.00 0.00 C ATOM 22 C VAL A 2 -8.529 8.579 3.211 1.00 0.00 C ATOM 23 O VAL A 2 -8.420 7.431 2.772 1.00 0.00 O ATOM 24 CB VAL A 2 -8.000 8.473 5.654 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.342 9.069 7.013 1.00 0.00 C ATOM 26 CG2 VAL A 2 -7.817 6.964 5.752 1.00 0.00 C ATOM 0 H VAL A 2 -10.235 7.075 4.697 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.335 9.885 4.718 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.055 8.905 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.566 8.805 7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.405 10.154 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.300 8.675 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.049 6.738 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.758 6.502 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.513 6.571 4.782 1.00 0.00 H new ATOM 36 N ASN A 3 -8.181 9.660 2.514 1.00 0.00 N ATOM 37 CA ASN A 3 -7.636 9.562 1.160 1.00 0.00 C ATOM 38 C ASN A 3 -6.114 9.472 1.195 1.00 0.00 C ATOM 39 O ASN A 3 -5.436 10.396 1.652 1.00 0.00 O ATOM 40 CB ASN A 3 -8.066 10.766 0.312 1.00 0.00 C ATOM 41 CG ASN A 3 -9.571 10.968 0.291 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.340 10.047 0.572 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.001 12.179 -0.048 1.00 0.00 N ATOM 0 H ASN A 3 -8.267 10.614 2.864 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.032 8.653 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.589 11.666 0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.709 10.631 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.002 12.374 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.330 12.914 -0.273 1.00 0.00 H new ATOM 50 N VAL A 4 -5.583 8.350 0.714 1.00 0.00 N ATOM 51 CA VAL A 4 -4.140 8.130 0.693 1.00 0.00 C ATOM 52 C VAL A 4 -3.615 8.023 -0.740 1.00 0.00 C ATOM 53 O VAL A 4 -4.201 7.332 -1.577 1.00 0.00 O ATOM 54 CB VAL A 4 -3.754 6.854 1.470 1.00 0.00 C ATOM 55 CG1 VAL A 4 -2.245 6.764 1.632 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.442 6.818 2.828 1.00 0.00 C ATOM 0 H VAL A 4 -6.132 7.579 0.333 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.683 8.993 1.177 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.091 5.991 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.992 5.858 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.775 6.735 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.885 7.634 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.155 5.910 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.141 7.688 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.523 6.830 2.689 1.00 0.00 H new ATOM 66 N LYS A 5 -2.504 8.710 -1.010 1.00 0.00 N ATOM 67 CA LYS A 5 -1.886 8.697 -2.334 1.00 0.00 C ATOM 68 C LYS A 5 -0.656 7.790 -2.344 1.00 0.00 C ATOM 69 O LYS A 5 0.400 8.156 -1.822 1.00 0.00 O ATOM 70 CB LYS A 5 -1.492 10.118 -2.750 1.00 0.00 C ATOM 71 CG LYS A 5 -0.939 10.213 -4.165 1.00 0.00 C ATOM 72 CD LYS A 5 0.579 10.078 -4.186 1.00 0.00 C ATOM 73 CE LYS A 5 1.216 11.062 -5.156 1.00 0.00 C ATOM 74 NZ LYS A 5 2.657 10.759 -5.394 1.00 0.00 N ATOM 0 H LYS A 5 -2.013 9.284 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.612 8.307 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.364 10.766 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.746 10.497 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.383 9.432 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.226 11.168 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.974 10.247 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.850 9.061 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.679 11.036 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.119 12.074 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.164 11.639 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.068 10.332 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.745 10.095 -6.189 1.00 0.00 H new ATOM 88 N VAL A 6 -0.801 6.609 -2.941 1.00 0.00 N ATOM 89 CA VAL A 6 0.297 5.646 -3.022 1.00 0.00 C ATOM 90 C VAL A 6 0.784 5.479 -4.460 1.00 0.00 C ATOM 91 O VAL A 6 0.042 5.733 -5.410 1.00 0.00 O ATOM 92 CB VAL A 6 -0.109 4.265 -2.464 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.108 4.283 -0.943 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.470 3.837 -2.998 1.00 0.00 C ATOM 0 H VAL A 6 -1.668 6.295 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 6 1.106 6.048 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 6 0.627 3.534 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.397 3.301 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.891 4.530 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.817 5.030 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.731 2.861 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.223 4.568 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.431 3.776 -4.086 1.00 0.00 H new ATOM 104 N GLU A 7 2.036 5.050 -4.613 1.00 0.00 N ATOM 105 CA GLU A 7 2.622 4.849 -5.936 1.00 0.00 C ATOM 106 C GLU A 7 3.035 3.394 -6.143 1.00 0.00 C ATOM 107 O GLU A 7 3.311 2.676 -5.182 1.00 0.00 O ATOM 108 CB GLU A 7 3.831 5.765 -6.126 1.00 0.00 C ATOM 109 CG GLU A 7 3.462 7.231 -6.279 1.00 0.00 C ATOM 110 CD GLU A 7 4.507 8.019 -7.042 1.00 0.00 C ATOM 111 OE1 GLU A 7 4.402 8.098 -8.284 1.00 0.00 O ATOM 112 OE2 GLU A 7 5.430 8.558 -6.398 1.00 0.00 O ATOM 0 H GLU A 7 2.663 4.835 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 7 1.863 5.098 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.499 5.654 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.385 5.444 -7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.505 7.309 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.328 7.673 -5.292 1.00 0.00 H new ATOM 119 N PHE A 8 3.073 2.966 -7.404 1.00 0.00 N ATOM 120 CA PHE A 8 3.449 1.596 -7.738 1.00 0.00 C ATOM 121 C PHE A 8 4.402 1.564 -8.926 1.00 0.00 C ATOM 122 O PHE A 8 3.993 1.764 -10.071 1.00 0.00 O ATOM 123 CB PHE A 8 2.202 0.762 -8.033 1.00 0.00 C ATOM 124 CG PHE A 8 1.370 0.490 -6.813 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.916 -0.169 -5.722 1.00 0.00 C ATOM 126 CD2 PHE A 8 0.050 0.903 -6.750 1.00 0.00 C ATOM 127 CE1 PHE A 8 1.159 -0.413 -4.594 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.712 0.662 -5.624 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.157 0.004 -4.544 1.00 0.00 C ATOM 0 H PHE A 8 2.848 3.549 -8.210 1.00 0.00 H new ATOM 0 HA PHE A 8 3.966 1.166 -6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.592 1.281 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.504 -0.186 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.945 -0.495 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.389 1.419 -7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.595 -0.929 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.741 0.988 -5.588 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.751 -0.184 -3.662 1.00 0.00 H new ATOM 139 N LEU A 9 5.679 1.319 -8.638 1.00 0.00 N ATOM 140 CA LEU A 9 6.708 1.264 -9.672 1.00 0.00 C ATOM 141 C LEU A 9 7.544 -0.006 -9.543 1.00 0.00 C ATOM 142 O LEU A 9 8.170 -0.242 -8.507 1.00 0.00 O ATOM 143 CB LEU A 9 7.619 2.493 -9.579 1.00 0.00 C ATOM 144 CG LEU A 9 6.996 3.812 -10.046 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.439 3.674 -11.456 1.00 0.00 C ATOM 146 CD2 LEU A 9 5.911 4.267 -9.079 1.00 0.00 C ATOM 0 H LEU A 9 6.026 1.155 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 9 6.211 1.256 -10.642 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.939 2.609 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.515 2.305 -10.170 1.00 0.00 H new ATOM 0 HG LEU A 9 7.777 4.572 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.001 4.622 -11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.243 3.403 -12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.673 2.898 -11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.482 5.206 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.130 3.508 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.344 4.413 -8.089 1.00 0.00 H new ATOM 158 N GLY A 10 7.553 -0.816 -10.599 1.00 0.00 N ATOM 159 CA GLY A 10 8.319 -2.052 -10.587 1.00 0.00 C ATOM 160 C GLY A 10 7.449 -3.286 -10.749 1.00 0.00 C ATOM 161 O GLY A 10 7.601 -4.258 -10.010 1.00 0.00 O ATOM 0 H GLY A 10 7.043 -0.638 -11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.056 -2.025 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.871 -2.123 -9.650 1.00 0.00 H new ATOM 165 N GLY A 11 6.531 -3.248 -11.717 1.00 0.00 N ATOM 166 CA GLY A 11 5.645 -4.379 -11.948 1.00 0.00 C ATOM 167 C GLY A 11 4.296 -4.218 -11.269 1.00 0.00 C ATOM 168 O GLY A 11 3.272 -4.639 -11.810 1.00 0.00 O ATOM 0 H GLY A 11 6.386 -2.456 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.494 -4.504 -13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.123 -5.289 -11.585 1.00 0.00 H new ATOM 172 N LEU A 12 4.292 -3.606 -10.082 1.00 0.00 N ATOM 173 CA LEU A 12 3.059 -3.387 -9.327 1.00 0.00 C ATOM 174 C LEU A 12 2.017 -2.640 -10.163 1.00 0.00 C ATOM 175 O LEU A 12 0.836 -2.991 -10.150 1.00 0.00 O ATOM 176 CB LEU A 12 3.356 -2.608 -8.044 1.00 0.00 C ATOM 177 CG LEU A 12 3.729 -3.474 -6.839 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.690 -2.731 -5.919 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.475 -3.900 -6.088 1.00 0.00 C ATOM 0 H LEU A 12 5.132 -3.253 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 12 2.648 -4.363 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.171 -1.911 -8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.481 -2.011 -7.787 1.00 0.00 H new ATOM 0 HG LEU A 12 4.235 -4.370 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.943 -3.364 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.598 -2.481 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.218 -1.816 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.754 -4.516 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.942 -3.016 -5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.830 -4.474 -6.753 1.00 0.00 H new ATOM 191 N ASP A 13 2.463 -1.616 -10.892 1.00 0.00 N ATOM 192 CA ASP A 13 1.570 -0.826 -11.742 1.00 0.00 C ATOM 193 C ASP A 13 0.927 -1.697 -12.821 1.00 0.00 C ATOM 194 O ASP A 13 -0.240 -1.510 -13.164 1.00 0.00 O ATOM 195 CB ASP A 13 2.327 0.333 -12.403 1.00 0.00 C ATOM 196 CG ASP A 13 3.620 -0.108 -13.066 1.00 0.00 C ATOM 197 OD1 ASP A 13 4.639 -0.242 -12.353 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.612 -0.325 -14.296 1.00 0.00 O ATOM 0 H ASP A 13 3.437 -1.314 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 13 0.786 -0.420 -11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.684 0.802 -13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.550 1.090 -11.651 1.00 0.00 H new ATOM 203 N ALA A 14 1.699 -2.648 -13.352 1.00 0.00 N ATOM 204 CA ALA A 14 1.208 -3.548 -14.394 1.00 0.00 C ATOM 205 C ALA A 14 0.122 -4.478 -13.857 1.00 0.00 C ATOM 206 O ALA A 14 -0.804 -4.844 -14.581 1.00 0.00 O ATOM 207 CB ALA A 14 2.355 -4.360 -14.982 1.00 0.00 C ATOM 0 H ALA A 14 2.667 -2.813 -13.076 1.00 0.00 H new ATOM 0 HA ALA A 14 0.769 -2.936 -15.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.971 -5.024 -15.756 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.093 -3.686 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.823 -4.952 -14.195 1.00 0.00 H new ATOM 213 N ILE A 15 0.245 -4.860 -12.587 1.00 0.00 N ATOM 214 CA ILE A 15 -0.723 -5.752 -11.956 1.00 0.00 C ATOM 215 C ILE A 15 -1.982 -4.998 -11.523 1.00 0.00 C ATOM 216 O ILE A 15 -3.097 -5.492 -11.692 1.00 0.00 O ATOM 217 CB ILE A 15 -0.121 -6.463 -10.726 1.00 0.00 C ATOM 218 CG1 ILE A 15 1.228 -7.102 -11.071 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.089 -7.512 -10.199 1.00 0.00 C ATOM 220 CD1 ILE A 15 2.061 -7.447 -9.854 1.00 0.00 C ATOM 0 H ILE A 15 1.006 -4.565 -11.975 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.990 -6.497 -12.706 1.00 0.00 H new ATOM 0 HB ILE A 15 0.047 -5.719 -9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.054 -8.008 -11.651 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.793 -6.420 -11.707 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.653 -8.007 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.024 -7.032 -9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.285 -8.250 -10.977 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.002 -7.895 -10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.265 -6.541 -9.284 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.516 -8.154 -9.228 1.00 0.00 H new ATOM 232 N PHE A 16 -1.797 -3.806 -10.953 1.00 0.00 N ATOM 233 CA PHE A 16 -2.919 -2.993 -10.484 1.00 0.00 C ATOM 234 C PHE A 16 -3.824 -2.569 -11.643 1.00 0.00 C ATOM 235 O PHE A 16 -4.929 -3.091 -11.798 1.00 0.00 O ATOM 236 CB PHE A 16 -2.407 -1.756 -9.739 1.00 0.00 C ATOM 237 CG PHE A 16 -2.395 -1.915 -8.245 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.508 -1.580 -7.492 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.271 -2.399 -7.595 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.503 -1.728 -6.119 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.260 -2.549 -6.221 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.376 -2.211 -5.483 1.00 0.00 C ATOM 0 H PHE A 16 -0.881 -3.383 -10.805 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.508 -3.604 -9.800 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.397 -1.529 -10.080 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.031 -0.901 -10.000 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.390 -1.199 -7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.394 -2.662 -8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.379 -1.467 -5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.379 -2.930 -5.726 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.368 -2.324 -4.409 1.00 0.00 H new ATOM 252 N GLY A 17 -3.351 -1.620 -12.448 1.00 0.00 N ATOM 253 CA GLY A 17 -4.133 -1.141 -13.577 1.00 0.00 C ATOM 254 C GLY A 17 -3.424 -0.053 -14.363 1.00 0.00 C ATOM 255 O GLY A 17 -4.049 0.917 -14.791 1.00 0.00 O ATOM 0 H GLY A 17 -2.440 -1.174 -12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.355 -1.977 -14.241 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.088 -0.759 -13.216 1.00 0.00 H new ATOM 259 N LYS A 18 -2.115 -0.219 -14.553 1.00 0.00 N ATOM 260 CA LYS A 18 -1.309 0.747 -15.295 1.00 0.00 C ATOM 261 C LYS A 18 -1.460 2.156 -14.717 1.00 0.00 C ATOM 262 O LYS A 18 -1.887 3.084 -15.410 1.00 0.00 O ATOM 263 CB LYS A 18 -1.696 0.730 -16.776 1.00 0.00 C ATOM 264 CG LYS A 18 -1.642 -0.656 -17.398 1.00 0.00 C ATOM 265 CD LYS A 18 -2.521 -0.751 -18.634 1.00 0.00 C ATOM 266 CE LYS A 18 -2.344 -2.085 -19.344 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.014 -2.193 -20.008 1.00 0.00 N ATOM 0 H LYS A 18 -1.589 -1.019 -14.200 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.262 0.459 -15.200 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.704 1.130 -16.885 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.028 1.393 -17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.613 -0.896 -17.664 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.963 -1.397 -16.665 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.566 -0.625 -18.349 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.277 0.062 -19.318 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.457 -2.896 -18.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.131 -2.207 -20.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.009 -3.017 -20.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.830 -1.330 -20.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.274 -2.307 -19.286 1.00 0.00 H new ATOM 281 N GLN A 19 -1.103 2.309 -13.442 1.00 0.00 N ATOM 282 CA GLN A 19 -1.193 3.602 -12.770 1.00 0.00 C ATOM 283 C GLN A 19 -0.026 3.792 -11.805 1.00 0.00 C ATOM 284 O GLN A 19 0.072 3.092 -10.795 1.00 0.00 O ATOM 285 CB GLN A 19 -2.521 3.727 -12.014 1.00 0.00 C ATOM 286 CG GLN A 19 -3.610 4.433 -12.807 1.00 0.00 C ATOM 287 CD GLN A 19 -4.506 5.293 -11.935 1.00 0.00 C ATOM 288 OE1 GLN A 19 -5.536 4.834 -11.443 1.00 0.00 O ATOM 289 NE2 GLN A 19 -4.118 6.549 -11.739 1.00 0.00 N ATOM 0 H GLN A 19 -0.749 1.553 -12.855 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.147 4.380 -13.532 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.870 2.731 -11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.350 4.270 -11.084 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.149 5.056 -13.573 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.218 3.690 -13.323 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.256 6.889 -12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.682 7.173 -11.162 1.00 0.00 H new ATOM 298 N ARG A 20 0.851 4.746 -12.118 1.00 0.00 N ATOM 299 CA ARG A 20 2.008 5.035 -11.271 1.00 0.00 C ATOM 300 C ARG A 20 1.561 5.487 -9.879 1.00 0.00 C ATOM 301 O ARG A 20 2.231 5.208 -8.885 1.00 0.00 O ATOM 302 CB ARG A 20 2.891 6.111 -11.913 1.00 0.00 C ATOM 303 CG ARG A 20 3.370 5.752 -13.310 1.00 0.00 C ATOM 304 CD ARG A 20 4.435 6.719 -13.804 1.00 0.00 C ATOM 305 NE ARG A 20 4.742 6.517 -15.220 1.00 0.00 N ATOM 306 CZ ARG A 20 5.444 5.483 -15.693 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.917 4.554 -14.867 1.00 0.00 N ATOM 308 NH2 ARG A 20 5.670 5.378 -16.997 1.00 0.00 N ATOM 0 H ARG A 20 0.782 5.331 -12.951 1.00 0.00 H new ATOM 0 HA ARG A 20 2.589 4.118 -11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.334 7.047 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.757 6.286 -11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.771 4.738 -13.308 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.525 5.759 -13.998 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.095 7.743 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.343 6.591 -13.214 1.00 0.00 H new ATOM 0 HE ARG A 20 4.399 7.208 -15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.745 4.628 -13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.452 3.768 -15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.308 6.086 -17.636 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.206 4.589 -17.360 1.00 0.00 H new ATOM 322 N VAL A 21 0.420 6.179 -9.818 1.00 0.00 N ATOM 323 CA VAL A 21 -0.124 6.662 -8.553 1.00 0.00 C ATOM 324 C VAL A 21 -1.563 6.184 -8.367 1.00 0.00 C ATOM 325 O VAL A 21 -2.441 6.508 -9.169 1.00 0.00 O ATOM 326 CB VAL A 21 -0.093 8.204 -8.471 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.466 8.677 -7.073 1.00 0.00 C ATOM 328 CG2 VAL A 21 1.272 8.743 -8.873 1.00 0.00 C ATOM 0 H VAL A 21 -0.144 6.416 -10.634 1.00 0.00 H new ATOM 0 HA VAL A 21 0.505 6.256 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.831 8.593 -9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.438 9.766 -7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.471 8.332 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.243 8.272 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.267 9.831 -8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.033 8.342 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.495 8.443 -9.897 1.00 0.00 H new ATOM 338 N HIS A 22 -1.799 5.416 -7.304 1.00 0.00 N ATOM 339 CA HIS A 22 -3.132 4.898 -7.012 1.00 0.00 C ATOM 340 C HIS A 22 -3.685 5.507 -5.725 1.00 0.00 C ATOM 341 O HIS A 22 -2.936 5.788 -4.788 1.00 0.00 O ATOM 342 CB HIS A 22 -3.098 3.370 -6.902 1.00 0.00 C ATOM 343 CG HIS A 22 -3.607 2.670 -8.127 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.850 2.916 -8.672 1.00 0.00 N ATOM 345 CD2 HIS A 22 -3.033 1.730 -8.916 1.00 0.00 C ATOM 346 CE1 HIS A 22 -5.018 2.158 -9.741 1.00 0.00 C ATOM 347 NE2 HIS A 22 -3.931 1.429 -9.911 1.00 0.00 N ATOM 0 H HIS A 22 -1.083 5.140 -6.632 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.791 5.178 -7.833 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.074 3.050 -6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.694 3.062 -6.043 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.533 3.580 -8.307 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.052 1.298 -8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.896 2.138 -10.369 1.00 0.00 H new ATOM 356 N LYS A 23 -5.002 5.713 -5.687 1.00 0.00 N ATOM 357 CA LYS A 23 -5.659 6.294 -4.516 1.00 0.00 C ATOM 358 C LYS A 23 -6.493 5.250 -3.773 1.00 0.00 C ATOM 359 O LYS A 23 -7.064 4.348 -4.388 1.00 0.00 O ATOM 360 CB LYS A 23 -6.550 7.465 -4.933 1.00 0.00 C ATOM 361 CG LYS A 23 -5.771 8.678 -5.420 1.00 0.00 C ATOM 362 CD LYS A 23 -6.451 9.978 -5.016 1.00 0.00 C ATOM 363 CE LYS A 23 -5.811 10.581 -3.773 1.00 0.00 C ATOM 364 NZ LYS A 23 -5.905 9.670 -2.597 1.00 0.00 N ATOM 0 H LYS A 23 -5.635 5.486 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.881 6.654 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.224 7.135 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.171 7.758 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.761 8.652 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.675 8.638 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.393 10.691 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.509 9.793 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.763 10.803 -3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.298 11.528 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.712 10.206 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.861 9.263 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.208 8.905 -2.694 1.00 0.00 H new ATOM 378 N ILE A 24 -6.560 5.382 -2.445 1.00 0.00 N ATOM 379 CA ILE A 24 -7.325 4.448 -1.618 1.00 0.00 C ATOM 380 C ILE A 24 -8.289 5.181 -0.681 1.00 0.00 C ATOM 381 O ILE A 24 -7.993 6.277 -0.201 1.00 0.00 O ATOM 382 CB ILE A 24 -6.399 3.548 -0.770 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.249 2.995 -1.619 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.193 2.409 -0.145 1.00 0.00 C ATOM 385 CD1 ILE A 24 -5.701 2.072 -2.730 1.00 0.00 C ATOM 0 H ILE A 24 -6.095 6.124 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.896 3.828 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.972 4.155 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.697 3.828 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.557 2.457 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.526 1.784 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.974 2.819 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.648 1.808 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.833 1.721 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.227 1.219 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.369 2.611 -3.402 1.00 0.00 H new ATOM 397 N LYS A 25 -9.439 4.554 -0.423 1.00 0.00 N ATOM 398 CA LYS A 25 -10.458 5.120 0.460 1.00 0.00 C ATOM 399 C LYS A 25 -10.863 4.099 1.527 1.00 0.00 C ATOM 400 O LYS A 25 -11.811 3.333 1.339 1.00 0.00 O ATOM 401 CB LYS A 25 -11.685 5.551 -0.352 1.00 0.00 C ATOM 402 CG LYS A 25 -11.386 6.613 -1.402 1.00 0.00 C ATOM 403 CD LYS A 25 -11.076 5.993 -2.757 1.00 0.00 C ATOM 404 CE LYS A 25 -12.331 5.452 -3.427 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.025 4.757 -4.710 1.00 0.00 N ATOM 0 H LYS A 25 -9.688 3.647 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.041 5.997 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.109 4.676 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.445 5.932 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.241 7.283 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.540 7.218 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.612 6.740 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.353 5.187 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.833 4.760 -2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.023 6.272 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.907 4.404 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.569 5.423 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.385 3.958 -4.528 1.00 0.00 H new ATOM 419 N MET A 26 -10.127 4.084 2.641 1.00 0.00 N ATOM 420 CA MET A 26 -10.395 3.148 3.734 1.00 0.00 C ATOM 421 C MET A 26 -11.657 3.531 4.503 1.00 0.00 C ATOM 422 O MET A 26 -11.874 4.704 4.816 1.00 0.00 O ATOM 423 CB MET A 26 -9.198 3.090 4.688 1.00 0.00 C ATOM 424 CG MET A 26 -8.730 1.676 4.983 1.00 0.00 C ATOM 425 SD MET A 26 -9.900 0.764 6.006 1.00 0.00 S ATOM 426 CE MET A 26 -9.179 -0.872 5.961 1.00 0.00 C ATOM 0 H MET A 26 -9.340 4.711 2.809 1.00 0.00 H new ATOM 0 HA MET A 26 -10.554 2.163 3.295 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.372 3.656 4.257 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.465 3.579 5.625 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.580 1.143 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.764 1.714 5.486 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.756 -1.505 5.287 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.150 -0.807 5.607 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.191 -1.303 6.962 1.00 0.00 H new ATOM 436 N ASP A 27 -12.488 2.531 4.802 1.00 0.00 N ATOM 437 CA ASP A 27 -13.732 2.759 5.529 1.00 0.00 C ATOM 438 C ASP A 27 -13.870 1.803 6.714 1.00 0.00 C ATOM 439 O ASP A 27 -14.418 0.706 6.580 1.00 0.00 O ATOM 440 CB ASP A 27 -14.922 2.609 4.579 1.00 0.00 C ATOM 441 CG ASP A 27 -15.116 3.839 3.715 1.00 0.00 C ATOM 442 OD1 ASP A 27 -14.326 4.029 2.768 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.051 4.616 3.988 1.00 0.00 O ATOM 0 H ASP A 27 -12.320 1.557 4.551 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.714 3.774 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.770 1.738 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.827 2.426 5.158 1.00 0.00 H new ATOM 448 N LYS A 28 -13.372 2.229 7.876 1.00 0.00 N ATOM 449 CA LYS A 28 -13.442 1.415 9.089 1.00 0.00 C ATOM 450 C LYS A 28 -13.649 2.281 10.330 1.00 0.00 C ATOM 451 O LYS A 28 -14.701 2.222 10.968 1.00 0.00 O ATOM 452 CB LYS A 28 -12.173 0.571 9.246 1.00 0.00 C ATOM 453 CG LYS A 28 -12.239 -0.421 10.399 1.00 0.00 C ATOM 454 CD LYS A 28 -10.883 -0.608 11.061 1.00 0.00 C ATOM 455 CE LYS A 28 -10.383 -2.035 10.901 1.00 0.00 C ATOM 456 NZ LYS A 28 -9.651 -2.233 9.617 1.00 0.00 N ATOM 0 H LYS A 28 -12.916 3.133 8.002 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.301 0.751 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.992 0.026 8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.322 1.235 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.959 -0.071 11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.600 -1.382 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.163 0.083 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.956 -0.362 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.726 -2.284 11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.228 -2.722 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.143 -3.140 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.329 -2.238 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.970 -1.459 9.483 1.00 0.00 H new ATOM 470 N GLU A 29 -12.637 3.074 10.669 1.00 0.00 N ATOM 471 CA GLU A 29 -12.699 3.949 11.839 1.00 0.00 C ATOM 472 C GLU A 29 -11.937 5.251 11.592 1.00 0.00 C ATOM 473 O GLU A 29 -11.502 5.521 10.471 1.00 0.00 O ATOM 474 CB GLU A 29 -12.121 3.230 13.064 1.00 0.00 C ATOM 475 CG GLU A 29 -13.070 3.179 14.254 1.00 0.00 C ATOM 476 CD GLU A 29 -13.846 1.875 14.338 1.00 0.00 C ATOM 477 OE1 GLU A 29 -13.263 0.810 14.041 1.00 0.00 O ATOM 478 OE2 GLU A 29 -15.039 1.920 14.706 1.00 0.00 O ATOM 0 H GLU A 29 -11.761 3.130 10.149 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.745 4.195 12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.852 2.212 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.201 3.731 13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.500 3.316 15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.772 4.010 14.188 1.00 0.00 H new ATOM 485 N ASP A 30 -11.775 6.055 12.645 1.00 0.00 N ATOM 486 CA ASP A 30 -11.059 7.325 12.537 1.00 0.00 C ATOM 487 C ASP A 30 -9.546 7.107 12.588 1.00 0.00 C ATOM 488 O ASP A 30 -8.836 7.465 11.647 1.00 0.00 O ATOM 489 CB ASP A 30 -11.495 8.297 13.641 1.00 0.00 C ATOM 490 CG ASP A 30 -12.625 9.207 13.198 1.00 0.00 C ATOM 491 OD1 ASP A 30 -13.757 8.708 13.020 1.00 0.00 O ATOM 492 OD2 ASP A 30 -12.379 10.419 13.025 1.00 0.00 O ATOM 0 H ASP A 30 -12.129 5.849 13.579 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.310 7.766 11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.811 7.730 14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.642 8.903 13.945 1.00 0.00 H new ATOM 497 N PRO A 31 -9.024 6.513 13.683 1.00 0.00 N ATOM 498 CA PRO A 31 -7.586 6.255 13.827 1.00 0.00 C ATOM 499 C PRO A 31 -7.106 5.099 12.946 1.00 0.00 C ATOM 500 O PRO A 31 -6.612 4.084 13.444 1.00 0.00 O ATOM 501 CB PRO A 31 -7.442 5.907 15.310 1.00 0.00 C ATOM 502 CG PRO A 31 -8.760 5.326 15.689 1.00 0.00 C ATOM 503 CD PRO A 31 -9.788 6.047 14.861 1.00 0.00 C ATOM 0 HA PRO A 31 -6.982 7.107 13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.633 5.195 15.473 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.213 6.792 15.904 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.784 4.254 15.493 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.953 5.460 16.753 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.605 5.386 14.573 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.230 6.880 15.407 1.00 0.00 H new ATOM 511 N VAL A 32 -7.254 5.261 11.632 1.00 0.00 N ATOM 512 CA VAL A 32 -6.837 4.237 10.679 1.00 0.00 C ATOM 513 C VAL A 32 -5.316 4.195 10.552 1.00 0.00 C ATOM 514 O VAL A 32 -4.672 5.229 10.367 1.00 0.00 O ATOM 515 CB VAL A 32 -7.450 4.475 9.282 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.144 3.305 8.361 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.952 4.704 9.377 1.00 0.00 C ATOM 0 H VAL A 32 -7.660 6.093 11.204 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.198 3.284 11.065 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.999 5.374 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.583 3.489 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.064 3.194 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.565 2.391 8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.359 4.869 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.426 3.829 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.148 5.578 9.998 1.00 0.00 H new ATOM 527 N THR A 33 -4.748 2.994 10.644 1.00 0.00 N ATOM 528 CA THR A 33 -3.302 2.817 10.531 1.00 0.00 C ATOM 529 C THR A 33 -2.922 2.393 9.118 1.00 0.00 C ATOM 530 O THR A 33 -3.763 1.920 8.353 1.00 0.00 O ATOM 531 CB THR A 33 -2.799 1.788 11.549 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.425 0.532 11.354 1.00 0.00 O ATOM 533 CG2 THR A 33 -3.037 2.202 12.985 1.00 0.00 C ATOM 0 H THR A 33 -5.267 2.129 10.796 1.00 0.00 H new ATOM 0 HA THR A 33 -2.826 3.774 10.746 1.00 0.00 H new ATOM 0 HB THR A 33 -1.725 1.720 11.379 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.107 0.612 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.658 1.430 13.654 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.519 3.140 13.184 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.106 2.335 13.153 1.00 0.00 H new ATOM 541 N VAL A 34 -1.650 2.573 8.777 1.00 0.00 N ATOM 542 CA VAL A 34 -1.151 2.216 7.451 1.00 0.00 C ATOM 543 C VAL A 34 -1.477 0.763 7.099 1.00 0.00 C ATOM 544 O VAL A 34 -1.731 0.443 5.936 1.00 0.00 O ATOM 545 CB VAL A 34 0.365 2.457 7.349 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.140 1.468 8.204 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.824 2.403 5.899 1.00 0.00 C ATOM 0 H VAL A 34 -0.944 2.964 9.401 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.657 2.861 6.733 1.00 0.00 H new ATOM 0 HB VAL A 34 0.571 3.456 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.208 1.665 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.841 1.576 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.927 0.453 7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.899 2.576 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.595 1.423 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.307 3.172 5.325 1.00 0.00 H new ATOM 557 N GLY A 35 -1.492 -0.106 8.112 1.00 0.00 N ATOM 558 CA GLY A 35 -1.816 -1.502 7.887 1.00 0.00 C ATOM 559 C GLY A 35 -3.198 -1.676 7.279 1.00 0.00 C ATOM 560 O GLY A 35 -3.449 -2.646 6.562 1.00 0.00 O ATOM 0 H GLY A 35 -1.285 0.135 9.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.071 -1.945 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.765 -2.043 8.832 1.00 0.00 H new ATOM 564 N ASP A 36 -4.090 -0.719 7.553 1.00 0.00 N ATOM 565 CA ASP A 36 -5.450 -0.752 7.017 1.00 0.00 C ATOM 566 C ASP A 36 -5.429 -0.473 5.517 1.00 0.00 C ATOM 567 O ASP A 36 -6.127 -1.128 4.745 1.00 0.00 O ATOM 568 CB ASP A 36 -6.338 0.275 7.730 1.00 0.00 C ATOM 569 CG ASP A 36 -6.668 -0.119 9.160 1.00 0.00 C ATOM 570 OD1 ASP A 36 -5.738 -0.480 9.910 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.858 -0.060 9.531 1.00 0.00 O ATOM 0 H ASP A 36 -3.892 0.088 8.144 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.864 -1.745 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.836 1.243 7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.265 0.398 7.169 1.00 0.00 H new ATOM 576 N LEU A 37 -4.600 0.492 5.113 1.00 0.00 N ATOM 577 CA LEU A 37 -4.456 0.846 3.705 1.00 0.00 C ATOM 578 C LEU A 37 -4.096 -0.395 2.891 1.00 0.00 C ATOM 579 O LEU A 37 -4.670 -0.641 1.829 1.00 0.00 O ATOM 580 CB LEU A 37 -3.372 1.919 3.535 1.00 0.00 C ATOM 581 CG LEU A 37 -3.494 2.789 2.280 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.207 1.972 1.028 1.00 0.00 C ATOM 583 CD2 LEU A 37 -4.874 3.426 2.204 1.00 0.00 C ATOM 0 H LEU A 37 -4.018 1.042 5.745 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.403 1.246 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.389 2.569 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.399 1.428 3.522 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.752 3.586 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.299 2.609 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.195 1.570 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.921 1.151 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.942 4.040 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.634 2.645 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.036 4.049 3.083 1.00 0.00 H new ATOM 595 N ILE A 38 -3.152 -1.184 3.412 1.00 0.00 N ATOM 596 CA ILE A 38 -2.725 -2.414 2.746 1.00 0.00 C ATOM 597 C ILE A 38 -3.837 -3.464 2.780 1.00 0.00 C ATOM 598 O ILE A 38 -3.983 -4.254 1.849 1.00 0.00 O ATOM 599 CB ILE A 38 -1.447 -3.006 3.386 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.385 -1.917 3.587 1.00 0.00 C ATOM 601 CG2 ILE A 38 -0.894 -4.136 2.523 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.051 -1.249 2.300 1.00 0.00 C ATOM 0 H ILE A 38 -2.671 -0.992 4.291 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.501 -2.150 1.712 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.710 -3.411 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.778 -1.159 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.487 -2.357 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.005 -4.542 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.642 -4.923 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.649 -3.751 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.803 -0.491 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.474 -1.995 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.810 -0.779 1.824 1.00 0.00 H new ATOM 614 N ASP A 39 -4.623 -3.463 3.856 1.00 0.00 N ATOM 615 CA ASP A 39 -5.726 -4.410 4.001 1.00 0.00 C ATOM 616 C ASP A 39 -6.858 -4.073 3.032 1.00 0.00 C ATOM 617 O ASP A 39 -7.335 -4.938 2.305 1.00 0.00 O ATOM 618 CB ASP A 39 -6.252 -4.404 5.440 1.00 0.00 C ATOM 619 CG ASP A 39 -6.570 -5.799 5.943 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.549 -6.400 5.453 1.00 0.00 O ATOM 621 OD2 ASP A 39 -5.838 -6.290 6.827 1.00 0.00 O ATOM 0 H ASP A 39 -4.516 -2.818 4.639 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.350 -5.406 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.510 -3.945 6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.149 -3.788 5.494 1.00 0.00 H new ATOM 626 N HIS A 40 -7.276 -2.807 3.030 1.00 0.00 N ATOM 627 CA HIS A 40 -8.353 -2.346 2.151 1.00 0.00 C ATOM 628 C HIS A 40 -7.989 -2.547 0.681 1.00 0.00 C ATOM 629 O HIS A 40 -8.786 -3.074 -0.096 1.00 0.00 O ATOM 630 CB HIS A 40 -8.654 -0.867 2.419 1.00 0.00 C ATOM 631 CG HIS A 40 -10.002 -0.421 1.940 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.214 -0.449 2.547 1.00 0.00 N flip ATOM 633 CD2 HIS A 40 -10.212 0.142 0.699 1.00 0.00 C flip ATOM 634 CE1 HIS A 40 -12.120 0.094 1.671 1.00 0.00 C flip ATOM 635 NE2 HIS A 40 -11.491 0.445 0.565 1.00 0.00 N flip ATOM 0 H HIS A 40 -6.884 -2.080 3.629 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.242 -2.939 2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.581 -0.681 3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.889 -0.258 1.937 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.450 0.309 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.177 0.215 1.857 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.919 0.877 -0.254 1.00 0.00 H new ATOM 644 N ILE A 41 -6.780 -2.124 0.307 1.00 0.00 N ATOM 645 CA ILE A 41 -6.309 -2.256 -1.072 1.00 0.00 C ATOM 646 C ILE A 41 -6.210 -3.725 -1.497 1.00 0.00 C ATOM 647 O ILE A 41 -6.390 -4.048 -2.670 1.00 0.00 O ATOM 648 CB ILE A 41 -4.939 -1.568 -1.271 1.00 0.00 C ATOM 649 CG1 ILE A 41 -4.583 -1.502 -2.757 1.00 0.00 C ATOM 650 CG2 ILE A 41 -3.845 -2.288 -0.496 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.719 -0.315 -3.119 1.00 0.00 C ATOM 0 H ILE A 41 -6.110 -1.687 0.940 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.047 -1.759 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.015 -0.552 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.064 -2.418 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.502 -1.464 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.893 -1.782 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.087 -2.281 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.771 -3.318 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.506 -0.332 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.244 0.607 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.783 -0.363 -2.562 1.00 0.00 H new ATOM 663 N VAL A 42 -5.920 -4.606 -0.541 1.00 0.00 N ATOM 664 CA VAL A 42 -5.796 -6.033 -0.825 1.00 0.00 C ATOM 665 C VAL A 42 -7.110 -6.788 -0.558 1.00 0.00 C ATOM 666 O VAL A 42 -7.246 -7.953 -0.933 1.00 0.00 O ATOM 667 CB VAL A 42 -4.649 -6.662 0.002 1.00 0.00 C ATOM 668 CG1 VAL A 42 -4.555 -8.164 -0.234 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.325 -5.985 -0.330 1.00 0.00 C ATOM 0 H VAL A 42 -5.767 -4.356 0.436 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.564 -6.127 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.870 -6.505 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.740 -8.576 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.492 -8.638 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.365 -8.355 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.527 -6.437 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.108 -6.110 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.391 -4.922 -0.096 1.00 0.00 H new ATOM 679 N SER A 43 -8.073 -6.127 0.093 1.00 0.00 N ATOM 680 CA SER A 43 -9.360 -6.752 0.400 1.00 0.00 C ATOM 681 C SER A 43 -10.457 -6.315 -0.575 1.00 0.00 C ATOM 682 O SER A 43 -10.939 -7.115 -1.378 1.00 0.00 O ATOM 683 CB SER A 43 -9.782 -6.436 1.837 1.00 0.00 C ATOM 684 OG SER A 43 -9.025 -7.189 2.768 1.00 0.00 O ATOM 0 H SER A 43 -7.985 -5.163 0.416 1.00 0.00 H new ATOM 0 HA SER A 43 -9.228 -7.829 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.650 -5.372 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.842 -6.654 1.964 1.00 0.00 H new ATOM 0 HG SER A 43 -8.191 -6.716 2.971 1.00 0.00 H new ATOM 690 N THR A 44 -10.866 -5.046 -0.484 1.00 0.00 N ATOM 691 CA THR A 44 -11.927 -4.514 -1.345 1.00 0.00 C ATOM 692 C THR A 44 -11.423 -4.226 -2.757 1.00 0.00 C ATOM 693 O THR A 44 -11.967 -4.744 -3.734 1.00 0.00 O ATOM 694 CB THR A 44 -12.525 -3.238 -0.741 1.00 0.00 C ATOM 695 OG1 THR A 44 -11.518 -2.271 -0.500 1.00 0.00 O ATOM 696 CG2 THR A 44 -13.255 -3.476 0.563 1.00 0.00 C ATOM 0 H THR A 44 -10.480 -4.370 0.175 1.00 0.00 H new ATOM 0 HA THR A 44 -12.700 -5.280 -1.410 1.00 0.00 H new ATOM 0 HB THR A 44 -13.242 -2.882 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.926 -1.382 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.653 -2.532 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.075 -4.176 0.399 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.564 -3.892 1.296 1.00 0.00 H new ATOM 704 N MET A 45 -10.391 -3.390 -2.859 1.00 0.00 N ATOM 705 CA MET A 45 -9.822 -3.025 -4.154 1.00 0.00 C ATOM 706 C MET A 45 -9.407 -4.270 -4.939 1.00 0.00 C ATOM 707 O MET A 45 -9.854 -4.476 -6.069 1.00 0.00 O ATOM 708 CB MET A 45 -8.624 -2.091 -3.966 1.00 0.00 C ATOM 709 CG MET A 45 -8.392 -1.155 -5.141 1.00 0.00 C ATOM 710 SD MET A 45 -7.668 0.419 -4.644 1.00 0.00 S ATOM 711 CE MET A 45 -6.342 0.574 -5.837 1.00 0.00 C ATOM 0 H MET A 45 -9.932 -2.953 -2.060 1.00 0.00 H new ATOM 0 HA MET A 45 -10.588 -2.502 -4.726 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.774 -1.498 -3.064 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.728 -2.691 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.735 -1.641 -5.863 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.340 -0.971 -5.646 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.386 0.395 -5.344 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.482 -0.157 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.349 1.578 -6.261 1.00 0.00 H new ATOM 721 N ILE A 46 -8.562 -5.099 -4.331 1.00 0.00 N ATOM 722 CA ILE A 46 -8.100 -6.324 -4.970 1.00 0.00 C ATOM 723 C ILE A 46 -8.700 -7.543 -4.280 1.00 0.00 C ATOM 724 O ILE A 46 -8.636 -7.665 -3.059 1.00 0.00 O ATOM 725 CB ILE A 46 -6.561 -6.434 -4.941 1.00 0.00 C ATOM 726 CG1 ILE A 46 -5.920 -5.149 -5.469 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.100 -7.632 -5.756 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.430 -5.078 -5.224 1.00 0.00 C ATOM 0 H ILE A 46 -8.184 -4.943 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.427 -6.289 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.245 -6.576 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.109 -5.071 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.400 -4.292 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.012 -7.696 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.529 -8.543 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.428 -7.517 -6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.040 -4.142 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.235 -5.125 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.939 -5.916 -5.719 1.00 0.00 H new ATOM 740 N ASN A 47 -9.284 -8.441 -5.065 1.00 0.00 N ATOM 741 CA ASN A 47 -9.894 -9.648 -4.518 1.00 0.00 C ATOM 742 C ASN A 47 -9.798 -10.802 -5.516 1.00 0.00 C ATOM 743 O ASN A 47 -10.812 -11.361 -5.941 1.00 0.00 O ATOM 744 CB ASN A 47 -11.357 -9.377 -4.145 1.00 0.00 C ATOM 745 CG ASN A 47 -11.839 -10.243 -2.995 1.00 0.00 C ATOM 746 OD1 ASN A 47 -11.058 -10.641 -2.131 1.00 0.00 O ATOM 747 ND2 ASN A 47 -13.134 -10.539 -2.978 1.00 0.00 N ATOM 0 H ASN A 47 -9.348 -8.357 -6.080 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.351 -9.934 -3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.470 -8.327 -3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.988 -9.553 -5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.515 -11.117 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -13.747 -10.188 -3.714 1.00 0.00 H new ATOM 754 N ASN A 48 -8.567 -11.151 -5.892 1.00 0.00 N ATOM 755 CA ASN A 48 -8.335 -12.232 -6.844 1.00 0.00 C ATOM 756 C ASN A 48 -6.996 -12.922 -6.581 1.00 0.00 C ATOM 757 O ASN A 48 -5.968 -12.259 -6.424 1.00 0.00 O ATOM 758 CB ASN A 48 -8.373 -11.688 -8.274 1.00 0.00 C ATOM 759 CG ASN A 48 -8.445 -12.794 -9.308 1.00 0.00 C ATOM 760 OD1 ASN A 48 -9.483 -13.431 -9.479 1.00 0.00 O ATOM 761 ND2 ASN A 48 -7.337 -13.030 -10.001 1.00 0.00 N ATOM 0 H ASN A 48 -7.718 -10.700 -5.551 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.127 -12.970 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.235 -11.031 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.485 -11.083 -8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.325 -13.765 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.498 -12.477 -9.826 1.00 0.00 H new ATOM 768 N PRO A 49 -6.988 -14.270 -6.533 1.00 0.00 N ATOM 769 CA PRO A 49 -5.765 -15.045 -6.290 1.00 0.00 C ATOM 770 C PRO A 49 -4.818 -15.027 -7.490 1.00 0.00 C ATOM 771 O PRO A 49 -4.576 -16.057 -8.125 1.00 0.00 O ATOM 772 CB PRO A 49 -6.287 -16.458 -6.031 1.00 0.00 C ATOM 773 CG PRO A 49 -7.573 -16.525 -6.778 1.00 0.00 C ATOM 774 CD PRO A 49 -8.166 -15.144 -6.714 1.00 0.00 C ATOM 0 HA PRO A 49 -5.179 -14.639 -5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.583 -17.212 -6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.437 -16.636 -4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.408 -16.831 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.245 -17.258 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.711 -14.899 -7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.869 -15.047 -5.886 1.00 0.00 H new ATOM 782 N ASN A 50 -4.286 -13.847 -7.787 1.00 0.00 N ATOM 783 CA ASN A 50 -3.360 -13.666 -8.900 1.00 0.00 C ATOM 784 C ASN A 50 -2.533 -12.399 -8.705 1.00 0.00 C ATOM 785 O ASN A 50 -1.307 -12.427 -8.810 1.00 0.00 O ATOM 786 CB ASN A 50 -4.119 -13.592 -10.232 1.00 0.00 C ATOM 787 CG ASN A 50 -3.449 -14.398 -11.330 1.00 0.00 C ATOM 788 OD1 ASN A 50 -4.105 -15.156 -12.046 1.00 0.00 O ATOM 789 ND2 ASN A 50 -2.137 -14.238 -11.471 1.00 0.00 N ATOM 0 H ASN A 50 -4.483 -12.992 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.691 -14.526 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.136 -13.957 -10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.195 -12.551 -10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.635 -14.754 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.632 -13.600 -10.856 1.00 0.00 H new ATOM 796 N ASP A 51 -3.213 -11.292 -8.407 1.00 0.00 N ATOM 797 CA ASP A 51 -2.544 -10.011 -8.182 1.00 0.00 C ATOM 798 C ASP A 51 -2.137 -9.865 -6.717 1.00 0.00 C ATOM 799 O ASP A 51 -1.061 -9.348 -6.413 1.00 0.00 O ATOM 800 CB ASP A 51 -3.437 -8.827 -8.599 1.00 0.00 C ATOM 801 CG ASP A 51 -4.925 -9.052 -8.365 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.285 -9.858 -7.483 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.734 -8.409 -9.063 1.00 0.00 O ATOM 0 H ASP A 51 -4.228 -11.257 -8.316 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.648 -9.997 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.125 -7.940 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.275 -8.619 -9.657 1.00 0.00 H new ATOM 808 N VAL A 52 -3.000 -10.321 -5.814 1.00 0.00 N ATOM 809 CA VAL A 52 -2.724 -10.239 -4.387 1.00 0.00 C ATOM 810 C VAL A 52 -2.072 -11.525 -3.877 1.00 0.00 C ATOM 811 O VAL A 52 -1.214 -11.481 -2.999 1.00 0.00 O ATOM 812 CB VAL A 52 -4.014 -9.937 -3.592 1.00 0.00 C ATOM 813 CG1 VAL A 52 -3.993 -10.588 -2.218 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.214 -8.437 -3.470 1.00 0.00 C ATOM 0 H VAL A 52 -3.895 -10.751 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.024 -9.418 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.853 -10.364 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.917 -10.353 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.904 -11.669 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.143 -10.210 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.126 -8.236 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.363 -7.998 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.297 -7.999 -4.465 1.00 0.00 H new ATOM 824 N SER A 53 -2.480 -12.668 -4.434 1.00 0.00 N ATOM 825 CA SER A 53 -1.924 -13.963 -4.034 1.00 0.00 C ATOM 826 C SER A 53 -0.394 -13.955 -4.113 1.00 0.00 C ATOM 827 O SER A 53 0.280 -14.567 -3.285 1.00 0.00 O ATOM 828 CB SER A 53 -2.485 -15.080 -4.921 1.00 0.00 C ATOM 829 OG SER A 53 -1.752 -16.285 -4.759 1.00 0.00 O ATOM 0 H SER A 53 -3.192 -12.723 -5.162 1.00 0.00 H new ATOM 0 HA SER A 53 -2.214 -14.147 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.532 -15.253 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.452 -14.769 -5.965 1.00 0.00 H new ATOM 0 HG SER A 53 -2.133 -16.980 -5.336 1.00 0.00 H new ATOM 835 N ILE A 54 0.146 -13.258 -5.113 1.00 0.00 N ATOM 836 CA ILE A 54 1.594 -13.175 -5.298 1.00 0.00 C ATOM 837 C ILE A 54 2.191 -11.997 -4.518 1.00 0.00 C ATOM 838 O ILE A 54 3.315 -12.081 -4.022 1.00 0.00 O ATOM 839 CB ILE A 54 1.966 -13.044 -6.793 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.226 -14.099 -7.625 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.471 -13.184 -6.979 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.445 -13.962 -9.117 1.00 0.00 C ATOM 0 H ILE A 54 -0.397 -12.743 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 54 2.014 -14.103 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 54 1.663 -12.056 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.550 -15.091 -7.309 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.158 -14.030 -7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.717 -13.090 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.981 -12.402 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.793 -14.161 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.891 -14.742 -9.639 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.095 -12.984 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.507 -14.061 -9.339 1.00 0.00 H new ATOM 854 N PHE A 55 1.434 -10.903 -4.415 1.00 0.00 N ATOM 855 CA PHE A 55 1.889 -9.709 -3.698 1.00 0.00 C ATOM 856 C PHE A 55 1.871 -9.929 -2.181 1.00 0.00 C ATOM 857 O PHE A 55 2.874 -9.700 -1.501 1.00 0.00 O ATOM 858 CB PHE A 55 1.006 -8.511 -4.066 1.00 0.00 C ATOM 859 CG PHE A 55 1.510 -7.192 -3.548 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.750 -6.706 -3.931 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.736 -6.435 -2.682 1.00 0.00 C ATOM 862 CE1 PHE A 55 3.209 -5.492 -3.458 1.00 0.00 C ATOM 863 CE2 PHE A 55 1.191 -5.220 -2.206 1.00 0.00 C ATOM 864 CZ PHE A 55 2.429 -4.747 -2.596 1.00 0.00 C ATOM 0 H PHE A 55 0.501 -10.819 -4.820 1.00 0.00 H new ATOM 0 HA PHE A 55 2.918 -9.506 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.923 -8.455 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.002 -8.681 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.364 -7.283 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.234 -6.799 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.178 -5.125 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.579 -4.641 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.786 -3.797 -2.227 1.00 0.00 H new ATOM 874 N ILE A 56 0.725 -10.368 -1.662 1.00 0.00 N ATOM 875 CA ILE A 56 0.565 -10.615 -0.230 1.00 0.00 C ATOM 876 C ILE A 56 0.403 -12.108 0.058 1.00 0.00 C ATOM 877 O ILE A 56 -0.335 -12.808 -0.638 1.00 0.00 O ATOM 878 CB ILE A 56 -0.658 -9.856 0.336 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.614 -8.381 -0.076 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.720 -9.984 1.853 1.00 0.00 C ATOM 881 CD1 ILE A 56 0.586 -7.631 0.464 1.00 0.00 C ATOM 0 H ILE A 56 -0.110 -10.561 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 56 1.469 -10.251 0.258 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.559 -10.305 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.611 -8.317 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.524 -7.890 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.588 -9.442 2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.802 -11.036 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.186 -9.565 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.547 -6.594 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.574 -7.662 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.501 -8.096 0.098 1.00 0.00 H new ATOM 893 N GLU A 57 1.094 -12.587 1.094 1.00 0.00 N ATOM 894 CA GLU A 57 1.026 -13.993 1.483 1.00 0.00 C ATOM 895 C GLU A 57 0.800 -14.135 2.987 1.00 0.00 C ATOM 896 O GLU A 57 1.450 -13.456 3.786 1.00 0.00 O ATOM 897 CB GLU A 57 2.310 -14.720 1.079 1.00 0.00 C ATOM 898 CG GLU A 57 2.093 -16.180 0.718 1.00 0.00 C ATOM 899 CD GLU A 57 1.593 -16.360 -0.702 1.00 0.00 C ATOM 900 OE1 GLU A 57 2.423 -16.295 -1.634 1.00 0.00 O ATOM 901 OE2 GLU A 57 0.374 -16.563 -0.880 1.00 0.00 O ATOM 0 H GLU A 57 1.708 -12.019 1.678 1.00 0.00 H new ATOM 0 HA GLU A 57 0.181 -14.445 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.756 -14.206 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.026 -14.659 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.029 -16.724 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.375 -16.619 1.411 1.00 0.00 H new ATOM 908 N ASP A 58 -0.127 -15.021 3.364 1.00 0.00 N ATOM 909 CA ASP A 58 -0.450 -15.260 4.773 1.00 0.00 C ATOM 910 C ASP A 58 -0.917 -13.968 5.450 1.00 0.00 C ATOM 911 O ASP A 58 -0.581 -13.702 6.606 1.00 0.00 O ATOM 912 CB ASP A 58 0.765 -15.843 5.508 1.00 0.00 C ATOM 913 CG ASP A 58 0.418 -17.091 6.297 1.00 0.00 C ATOM 914 OD1 ASP A 58 0.303 -18.171 5.679 1.00 0.00 O ATOM 915 OD2 ASP A 58 0.261 -16.991 7.532 1.00 0.00 O ATOM 0 H ASP A 58 -0.668 -15.586 2.710 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.265 -15.982 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.545 -16.079 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.173 -15.091 6.183 1.00 0.00 H new ATOM 920 N ASP A 59 -1.695 -13.164 4.716 1.00 0.00 N ATOM 921 CA ASP A 59 -2.212 -11.895 5.233 1.00 0.00 C ATOM 922 C ASP A 59 -1.069 -10.952 5.625 1.00 0.00 C ATOM 923 O ASP A 59 -1.192 -10.174 6.574 1.00 0.00 O ATOM 924 CB ASP A 59 -3.128 -12.149 6.437 1.00 0.00 C ATOM 925 CG ASP A 59 -4.448 -12.802 6.056 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.487 -13.535 5.043 1.00 0.00 O ATOM 927 OD2 ASP A 59 -5.443 -12.584 6.775 1.00 0.00 O ATOM 0 H ASP A 59 -1.980 -13.372 3.759 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.789 -11.416 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.608 -12.785 7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.329 -11.203 6.939 1.00 0.00 H new ATOM 932 N SER A 60 0.042 -11.025 4.890 1.00 0.00 N ATOM 933 CA SER A 60 1.202 -10.180 5.165 1.00 0.00 C ATOM 934 C SER A 60 1.978 -9.879 3.884 1.00 0.00 C ATOM 935 O SER A 60 1.952 -10.661 2.931 1.00 0.00 O ATOM 936 CB SER A 60 2.116 -10.851 6.195 1.00 0.00 C ATOM 937 OG SER A 60 1.826 -10.396 7.506 1.00 0.00 O ATOM 0 H SER A 60 0.162 -11.660 4.101 1.00 0.00 H new ATOM 0 HA SER A 60 0.844 -9.235 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.992 -11.933 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.158 -10.638 5.955 1.00 0.00 H new ATOM 0 HG SER A 60 0.870 -10.193 7.578 1.00 0.00 H new ATOM 943 N ILE A 61 2.666 -8.737 3.867 1.00 0.00 N ATOM 944 CA ILE A 61 3.450 -8.327 2.703 1.00 0.00 C ATOM 945 C ILE A 61 4.620 -9.279 2.460 1.00 0.00 C ATOM 946 O ILE A 61 5.105 -9.931 3.385 1.00 0.00 O ATOM 947 CB ILE A 61 3.994 -6.889 2.861 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.871 -5.925 3.247 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.664 -6.426 1.575 1.00 0.00 C ATOM 950 CD1 ILE A 61 3.071 -5.274 4.599 1.00 0.00 C ATOM 0 H ILE A 61 2.696 -8.080 4.646 1.00 0.00 H new ATOM 0 HA ILE A 61 2.776 -8.358 1.847 1.00 0.00 H new ATOM 0 HB ILE A 61 4.736 -6.894 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.793 -5.148 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.924 -6.465 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.041 -5.412 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.493 -7.093 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.939 -6.442 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.237 -4.604 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.119 -6.043 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.001 -4.706 4.595 1.00 0.00 H new ATOM 962 N ARG A 62 5.070 -9.348 1.209 1.00 0.00 N ATOM 963 CA ARG A 62 6.186 -10.216 0.840 1.00 0.00 C ATOM 964 C ARG A 62 7.482 -9.415 0.708 1.00 0.00 C ATOM 965 O ARG A 62 7.482 -8.306 0.169 1.00 0.00 O ATOM 966 CB ARG A 62 5.887 -10.942 -0.475 1.00 0.00 C ATOM 967 CG ARG A 62 5.333 -12.346 -0.286 1.00 0.00 C ATOM 968 CD ARG A 62 5.313 -13.122 -1.595 1.00 0.00 C ATOM 969 NE ARG A 62 5.639 -14.535 -1.401 1.00 0.00 N ATOM 970 CZ ARG A 62 6.880 -15.000 -1.227 1.00 0.00 C ATOM 971 NH1 ARG A 62 7.918 -14.166 -1.215 1.00 0.00 N ATOM 972 NH2 ARG A 62 7.084 -16.302 -1.063 1.00 0.00 N ATOM 0 H ARG A 62 4.679 -8.813 0.434 1.00 0.00 H new ATOM 0 HA ARG A 62 6.314 -10.953 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.172 -10.353 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.802 -10.998 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.939 -12.881 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.322 -12.288 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.327 -13.037 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.025 -12.678 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 62 4.872 -15.207 -1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.769 -13.165 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.862 -14.529 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.294 -16.947 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.031 -16.657 -0.930 1.00 0.00 H new ATOM 986 N PRO A 63 8.610 -9.969 1.201 1.00 0.00 N ATOM 987 CA PRO A 63 9.920 -9.303 1.134 1.00 0.00 C ATOM 988 C PRO A 63 10.303 -8.912 -0.293 1.00 0.00 C ATOM 989 O PRO A 63 10.176 -9.715 -1.220 1.00 0.00 O ATOM 990 CB PRO A 63 10.890 -10.360 1.668 1.00 0.00 C ATOM 991 CG PRO A 63 10.052 -11.253 2.515 1.00 0.00 C ATOM 992 CD PRO A 63 8.698 -11.286 1.863 1.00 0.00 C ATOM 0 HA PRO A 63 9.927 -8.372 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.359 -10.913 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.692 -9.904 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.482 -12.253 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.985 -10.875 3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.616 -12.103 1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.902 -11.423 2.595 1.00 0.00 H new ATOM 1000 N GLY A 64 10.769 -7.675 -0.460 1.00 0.00 N ATOM 1001 CA GLY A 64 11.161 -7.194 -1.775 1.00 0.00 C ATOM 1002 C GLY A 64 10.529 -5.858 -2.122 1.00 0.00 C ATOM 1003 O GLY A 64 11.153 -5.023 -2.779 1.00 0.00 O ATOM 0 H GLY A 64 10.882 -6.997 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.246 -7.099 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.878 -7.931 -2.526 1.00 0.00 H new ATOM 1007 N ILE A 65 9.286 -5.655 -1.681 1.00 0.00 N ATOM 1008 CA ILE A 65 8.569 -4.411 -1.948 1.00 0.00 C ATOM 1009 C ILE A 65 8.946 -3.335 -0.934 1.00 0.00 C ATOM 1010 O ILE A 65 8.619 -3.437 0.250 1.00 0.00 O ATOM 1011 CB ILE A 65 7.039 -4.619 -1.929 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.646 -5.816 -2.802 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.325 -3.357 -2.397 1.00 0.00 C ATOM 1014 CD1 ILE A 65 5.706 -6.783 -2.116 1.00 0.00 C ATOM 0 H ILE A 65 8.757 -6.337 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 65 8.862 -4.085 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 65 6.733 -4.829 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.175 -5.450 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.549 -6.349 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.247 -3.520 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.578 -2.529 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.638 -3.118 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.471 -7.604 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.182 -7.178 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.787 -6.265 -1.842 1.00 0.00 H new ATOM 1026 N ILE A 66 9.639 -2.309 -1.415 1.00 0.00 N ATOM 1027 CA ILE A 66 10.077 -1.202 -0.574 1.00 0.00 C ATOM 1028 C ILE A 66 9.004 -0.112 -0.493 1.00 0.00 C ATOM 1029 O ILE A 66 8.274 0.126 -1.458 1.00 0.00 O ATOM 1030 CB ILE A 66 11.389 -0.598 -1.116 1.00 0.00 C ATOM 1031 CG1 ILE A 66 12.491 -1.660 -1.141 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.822 0.603 -0.284 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.680 -2.308 -2.496 1.00 0.00 C ATOM 0 H ILE A 66 9.912 -2.221 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 66 10.249 -1.595 0.428 1.00 0.00 H new ATOM 0 HB ILE A 66 11.211 -0.254 -2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.431 -1.203 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.256 -2.432 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.749 1.010 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.046 1.367 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.981 0.292 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.477 -3.049 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.753 -2.795 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.946 -1.547 -3.229 1.00 0.00 H new ATOM 1045 N THR A 67 8.918 0.544 0.665 1.00 0.00 N ATOM 1046 CA THR A 67 7.939 1.607 0.882 1.00 0.00 C ATOM 1047 C THR A 67 8.606 2.864 1.440 1.00 0.00 C ATOM 1048 O THR A 67 9.445 2.783 2.338 1.00 0.00 O ATOM 1049 CB THR A 67 6.845 1.134 1.845 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.395 -0.165 1.499 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.638 2.046 1.872 1.00 0.00 C ATOM 0 H THR A 67 9.517 0.356 1.469 1.00 0.00 H new ATOM 0 HA THR A 67 7.492 1.851 -0.082 1.00 0.00 H new ATOM 0 HB THR A 67 7.308 1.140 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.723 -0.100 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.901 1.654 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.943 3.044 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.199 2.098 0.876 1.00 0.00 H new ATOM 1059 N LEU A 68 8.220 4.024 0.908 1.00 0.00 N ATOM 1060 CA LEU A 68 8.775 5.297 1.360 1.00 0.00 C ATOM 1061 C LEU A 68 7.665 6.298 1.672 1.00 0.00 C ATOM 1062 O LEU A 68 6.941 6.736 0.776 1.00 0.00 O ATOM 1063 CB LEU A 68 9.720 5.879 0.304 1.00 0.00 C ATOM 1064 CG LEU A 68 11.067 5.164 0.167 1.00 0.00 C ATOM 1065 CD1 LEU A 68 11.940 5.870 -0.860 1.00 0.00 C ATOM 1066 CD2 LEU A 68 11.779 5.095 1.511 1.00 0.00 C ATOM 0 H LEU A 68 7.526 4.107 0.165 1.00 0.00 H new ATOM 0 HA LEU A 68 9.339 5.109 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.216 5.858 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.906 6.926 0.544 1.00 0.00 H new ATOM 0 HG LEU A 68 10.881 4.146 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.894 5.350 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.438 5.868 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.115 6.898 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.734 4.583 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.953 6.105 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.161 4.548 2.223 1.00 0.00 H new ATOM 1078 N ILE A 69 7.541 6.656 2.948 1.00 0.00 N ATOM 1079 CA ILE A 69 6.525 7.609 3.387 1.00 0.00 C ATOM 1080 C ILE A 69 7.137 8.994 3.584 1.00 0.00 C ATOM 1081 O ILE A 69 7.915 9.208 4.516 1.00 0.00 O ATOM 1082 CB ILE A 69 5.855 7.155 4.704 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.424 5.687 4.613 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.661 8.043 5.029 1.00 0.00 C ATOM 1085 CD1 ILE A 69 6.160 4.776 5.573 1.00 0.00 C ATOM 0 H ILE A 69 8.133 6.299 3.698 1.00 0.00 H new ATOM 0 HA ILE A 69 5.765 7.654 2.607 1.00 0.00 H new ATOM 0 HB ILE A 69 6.584 7.249 5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.354 5.619 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.584 5.333 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.202 7.709 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.994 9.075 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.931 7.982 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.802 3.754 5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.229 4.814 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.979 5.104 6.597 1.00 0.00 H new ATOM 1097 N ASN A 70 6.789 9.927 2.693 1.00 0.00 N ATOM 1098 CA ASN A 70 7.309 11.294 2.754 1.00 0.00 C ATOM 1099 C ASN A 70 8.837 11.295 2.656 1.00 0.00 C ATOM 1100 O ASN A 70 9.524 11.927 3.462 1.00 0.00 O ATOM 1101 CB ASN A 70 6.852 11.988 4.045 1.00 0.00 C ATOM 1102 CG ASN A 70 5.634 12.866 3.830 1.00 0.00 C ATOM 1103 OD1 ASN A 70 4.510 12.464 4.123 1.00 0.00 O ATOM 1104 ND2 ASN A 70 5.849 14.073 3.317 1.00 0.00 N ATOM 0 H ASN A 70 6.147 9.758 1.919 1.00 0.00 H new ATOM 0 HA ASN A 70 6.911 11.850 1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.624 11.234 4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.669 12.594 4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.065 14.704 3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.798 14.368 3.088 1.00 0.00 H new ATOM 1111 N ASP A 71 9.360 10.573 1.662 1.00 0.00 N ATOM 1112 CA ASP A 71 10.805 10.472 1.448 1.00 0.00 C ATOM 1113 C ASP A 71 11.511 9.903 2.682 1.00 0.00 C ATOM 1114 O ASP A 71 12.662 10.243 2.964 1.00 0.00 O ATOM 1115 CB ASP A 71 11.389 11.841 1.087 1.00 0.00 C ATOM 1116 CG ASP A 71 10.851 12.378 -0.227 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.769 11.600 -1.202 1.00 0.00 O ATOM 1118 OD2 ASP A 71 10.510 13.578 -0.280 1.00 0.00 O ATOM 0 H ASP A 71 8.801 10.048 0.990 1.00 0.00 H new ATOM 0 HA ASP A 71 10.973 9.786 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.164 12.549 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.475 11.764 1.026 1.00 0.00 H new ATOM 1123 N THR A 72 10.815 9.031 3.410 1.00 0.00 N ATOM 1124 CA THR A 72 11.372 8.410 4.607 1.00 0.00 C ATOM 1125 C THR A 72 11.074 6.912 4.617 1.00 0.00 C ATOM 1126 O THR A 72 10.298 6.422 3.795 1.00 0.00 O ATOM 1127 CB THR A 72 10.807 9.072 5.872 1.00 0.00 C ATOM 1128 OG1 THR A 72 10.606 10.461 5.674 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.702 8.915 7.081 1.00 0.00 C ATOM 0 H THR A 72 9.863 8.739 3.190 1.00 0.00 H new ATOM 0 HA THR A 72 12.453 8.552 4.596 1.00 0.00 H new ATOM 0 HB THR A 72 9.864 8.559 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.804 10.601 5.129 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.243 9.406 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.837 7.856 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.671 9.371 6.878 1.00 0.00 H new ATOM 1137 N ASP A 73 11.690 6.192 5.552 1.00 0.00 N ATOM 1138 CA ASP A 73 11.486 4.750 5.664 1.00 0.00 C ATOM 1139 C ASP A 73 10.177 4.430 6.383 1.00 0.00 C ATOM 1140 O ASP A 73 9.515 5.321 6.918 1.00 0.00 O ATOM 1141 CB ASP A 73 12.658 4.103 6.411 1.00 0.00 C ATOM 1142 CG ASP A 73 13.488 3.192 5.524 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.569 3.454 4.304 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.059 2.216 6.051 1.00 0.00 O ATOM 0 H ASP A 73 12.333 6.582 6.241 1.00 0.00 H new ATOM 0 HA ASP A 73 11.432 4.343 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.297 4.884 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.274 3.530 7.255 1.00 0.00 H new ATOM 1149 N TRP A 74 9.816 3.148 6.391 1.00 0.00 N ATOM 1150 CA TRP A 74 8.589 2.693 7.045 1.00 0.00 C ATOM 1151 C TRP A 74 8.900 2.012 8.377 1.00 0.00 C ATOM 1152 O TRP A 74 8.128 2.117 9.330 1.00 0.00 O ATOM 1153 CB TRP A 74 7.798 1.742 6.133 1.00 0.00 C ATOM 1154 CG TRP A 74 8.594 0.573 5.622 1.00 0.00 C ATOM 1155 CD1 TRP A 74 9.540 0.589 4.635 1.00 0.00 C ATOM 1156 CD2 TRP A 74 8.502 -0.786 6.066 1.00 0.00 C ATOM 1157 NE1 TRP A 74 10.046 -0.674 4.446 1.00 0.00 N ATOM 1158 CE2 TRP A 74 9.425 -1.536 5.310 1.00 0.00 C ATOM 1159 CE3 TRP A 74 7.734 -1.440 7.032 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 9.593 -2.907 5.489 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 7.903 -2.801 7.208 1.00 0.00 C ATOM 1162 CH2 TRP A 74 8.828 -3.521 6.442 1.00 0.00 C ATOM 0 H TRP A 74 10.357 2.404 5.951 1.00 0.00 H new ATOM 0 HA TRP A 74 7.974 3.571 7.242 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.934 1.367 6.681 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.416 2.307 5.282 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.845 1.467 4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.767 -0.929 3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 74 7.021 -0.893 7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.302 -3.465 4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 7.311 -3.318 7.949 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.940 -4.582 6.607 1.00 0.00 H new ATOM 1173 N GLU A 75 10.039 1.320 8.439 1.00 0.00 N ATOM 1174 CA GLU A 75 10.452 0.629 9.660 1.00 0.00 C ATOM 1175 C GLU A 75 11.262 1.549 10.578 1.00 0.00 C ATOM 1176 O GLU A 75 11.281 1.355 11.794 1.00 0.00 O ATOM 1177 CB GLU A 75 11.268 -0.622 9.324 1.00 0.00 C ATOM 1178 CG GLU A 75 12.520 -0.343 8.499 1.00 0.00 C ATOM 1179 CD GLU A 75 13.412 -1.563 8.358 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.916 -2.615 7.900 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.609 -1.465 8.703 1.00 0.00 O ATOM 0 H GLU A 75 10.690 1.224 7.660 1.00 0.00 H new ATOM 0 HA GLU A 75 9.546 0.331 10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.559 -1.114 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.634 -1.321 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.227 0.005 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.085 0.464 8.966 1.00 0.00 H new ATOM 1188 N LEU A 76 11.931 2.545 9.992 1.00 0.00 N ATOM 1189 CA LEU A 76 12.745 3.490 10.763 1.00 0.00 C ATOM 1190 C LEU A 76 11.908 4.267 11.787 1.00 0.00 C ATOM 1191 O LEU A 76 12.452 4.792 12.761 1.00 0.00 O ATOM 1192 CB LEU A 76 13.451 4.475 9.825 1.00 0.00 C ATOM 1193 CG LEU A 76 14.913 4.147 9.509 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.443 5.073 8.423 1.00 0.00 C ATOM 1195 CD2 LEU A 76 15.772 4.248 10.764 1.00 0.00 C ATOM 0 H LEU A 76 11.926 2.719 8.987 1.00 0.00 H new ATOM 0 HA LEU A 76 13.486 2.905 11.308 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.896 4.520 8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.407 5.469 10.270 1.00 0.00 H new ATOM 0 HG LEU A 76 14.963 3.121 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.483 4.826 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.849 4.950 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.377 6.107 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 16.807 4.011 10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.717 5.261 11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.407 3.544 11.512 1.00 0.00 H new ATOM 1207 N GLU A 77 10.591 4.346 11.567 1.00 0.00 N ATOM 1208 CA GLU A 77 9.708 5.067 12.482 1.00 0.00 C ATOM 1209 C GLU A 77 8.597 4.159 13.004 1.00 0.00 C ATOM 1210 O GLU A 77 8.599 3.778 14.175 1.00 0.00 O ATOM 1211 CB GLU A 77 9.104 6.293 11.790 1.00 0.00 C ATOM 1212 CG GLU A 77 9.981 7.534 11.868 1.00 0.00 C ATOM 1213 CD GLU A 77 9.179 8.822 11.902 1.00 0.00 C ATOM 1214 OE1 GLU A 77 8.265 8.979 11.063 1.00 0.00 O ATOM 1215 OE2 GLU A 77 9.465 9.676 12.768 1.00 0.00 O ATOM 0 H GLU A 77 10.118 3.922 10.769 1.00 0.00 H new ATOM 0 HA GLU A 77 10.306 5.399 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.920 6.054 10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.137 6.514 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.605 7.477 12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.653 7.553 11.010 1.00 0.00 H new ATOM 1222 N GLY A 78 7.648 3.823 12.130 1.00 0.00 N ATOM 1223 CA GLY A 78 6.542 2.970 12.524 1.00 0.00 C ATOM 1224 C GLY A 78 5.996 2.151 11.370 1.00 0.00 C ATOM 1225 O GLY A 78 5.362 2.696 10.467 1.00 0.00 O ATOM 0 H GLY A 78 7.628 4.128 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.871 2.299 13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.743 3.585 12.938 1.00 0.00 H new ATOM 1229 N GLU A 79 6.250 0.842 11.399 1.00 0.00 N ATOM 1230 CA GLU A 79 5.783 -0.060 10.344 1.00 0.00 C ATOM 1231 C GLU A 79 4.269 0.056 10.151 1.00 0.00 C ATOM 1232 O GLU A 79 3.808 0.618 9.158 1.00 0.00 O ATOM 1233 CB GLU A 79 6.165 -1.507 10.668 1.00 0.00 C ATOM 1234 CG GLU A 79 7.659 -1.775 10.593 1.00 0.00 C ATOM 1235 CD GLU A 79 8.086 -2.939 11.465 1.00 0.00 C ATOM 1236 OE1 GLU A 79 8.054 -4.088 10.978 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.449 -2.701 12.637 1.00 0.00 O ATOM 0 H GLU A 79 6.777 0.382 12.142 1.00 0.00 H new ATOM 0 HA GLU A 79 6.269 0.233 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.811 -1.752 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.650 -2.173 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.936 -1.979 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.201 -0.880 10.897 1.00 0.00 H new ATOM 1244 N LYS A 80 3.502 -0.472 11.107 1.00 0.00 N ATOM 1245 CA LYS A 80 2.043 -0.416 11.040 1.00 0.00 C ATOM 1246 C LYS A 80 1.492 0.636 12.001 1.00 0.00 C ATOM 1247 O LYS A 80 0.481 1.278 11.711 1.00 0.00 O ATOM 1248 CB LYS A 80 1.434 -1.781 11.364 1.00 0.00 C ATOM 1249 CG LYS A 80 -0.085 -1.801 11.278 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.653 -3.126 11.764 1.00 0.00 C ATOM 1251 CE LYS A 80 -1.837 -3.572 10.917 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.408 -4.274 9.672 1.00 0.00 N ATOM 0 H LYS A 80 3.868 -0.942 11.935 1.00 0.00 H new ATOM 0 HA LYS A 80 1.768 -0.138 10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.839 -2.524 10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.738 -2.077 12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.495 -0.987 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.395 -1.627 10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.125 -3.889 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.965 -3.029 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.473 -4.234 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.440 -2.703 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.206 -4.318 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.620 -3.755 9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.099 -5.239 9.906 1.00 0.00 H new ATOM 1266 N ASP A 81 2.163 0.806 13.145 1.00 0.00 N ATOM 1267 CA ASP A 81 1.746 1.782 14.155 1.00 0.00 C ATOM 1268 C ASP A 81 1.626 3.189 13.559 1.00 0.00 C ATOM 1269 O ASP A 81 0.890 4.025 14.084 1.00 0.00 O ATOM 1270 CB ASP A 81 2.727 1.784 15.335 1.00 0.00 C ATOM 1271 CG ASP A 81 4.164 2.017 14.907 1.00 0.00 C ATOM 1272 OD1 ASP A 81 4.761 1.100 14.304 1.00 0.00 O ATOM 1273 OD2 ASP A 81 4.691 3.116 15.171 1.00 0.00 O ATOM 0 H ASP A 81 2.999 0.278 13.394 1.00 0.00 H new ATOM 0 HA ASP A 81 0.761 1.487 14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.434 2.559 16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.659 0.831 15.859 1.00 0.00 H new ATOM 1278 N TYR A 82 2.341 3.438 12.456 1.00 0.00 N ATOM 1279 CA TYR A 82 2.294 4.736 11.787 1.00 0.00 C ATOM 1280 C TYR A 82 0.853 5.081 11.418 1.00 0.00 C ATOM 1281 O TYR A 82 0.284 4.503 10.488 1.00 0.00 O ATOM 1282 CB TYR A 82 3.173 4.720 10.531 1.00 0.00 C ATOM 1283 CG TYR A 82 3.094 5.988 9.698 1.00 0.00 C ATOM 1284 CD1 TYR A 82 2.153 6.120 8.682 1.00 0.00 C ATOM 1285 CD2 TYR A 82 3.963 7.050 9.925 1.00 0.00 C ATOM 1286 CE1 TYR A 82 2.079 7.270 7.919 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.895 8.204 9.166 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.951 8.310 8.164 1.00 0.00 C ATOM 1289 OH TYR A 82 2.883 9.455 7.403 1.00 0.00 O ATOM 0 H TYR A 82 2.957 2.757 12.011 1.00 0.00 H new ATOM 0 HA TYR A 82 2.676 5.496 12.468 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.209 4.558 10.829 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.884 3.872 9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.468 5.309 8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.703 6.972 10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.342 7.354 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.578 9.019 9.356 1.00 0.00 H new ATOM 0 HH TYR A 82 2.624 9.224 6.487 1.00 0.00 H new ATOM 1299 N ILE A 83 0.267 6.018 12.159 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.109 6.439 11.919 1.00 0.00 C ATOM 1301 C ILE A 83 -1.243 7.110 10.553 1.00 0.00 C ATOM 1302 O ILE A 83 -0.355 7.852 10.129 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.608 7.405 13.019 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.321 6.833 14.413 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -3.097 7.677 12.852 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -0.201 7.544 15.144 1.00 0.00 C ATOM 0 H ILE A 83 0.725 6.501 12.932 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.726 5.541 11.940 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.069 8.347 12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.229 6.890 15.014 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.068 5.777 14.318 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.432 8.358 13.634 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.277 8.128 11.876 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.649 6.740 12.926 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.055 7.085 16.122 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.719 7.465 14.565 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.460 8.595 15.272 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.356 6.840 9.866 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.602 7.417 8.548 1.00 0.00 C ATOM 1320 C LEU A 84 -2.723 8.938 8.633 1.00 0.00 C ATOM 1321 O LEU A 84 -2.687 9.514 9.722 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.869 6.817 7.928 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.694 5.432 7.294 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.977 4.991 6.604 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.532 5.431 6.309 1.00 0.00 C ATOM 0 H LEU A 84 -3.098 6.226 10.202 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.752 7.177 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.636 6.751 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.241 7.503 7.167 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.469 4.722 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.832 4.006 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.785 4.945 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.234 5.706 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.427 4.438 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.724 6.157 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.613 5.697 6.831 1.00 0.00 H new ATOM 1337 N GLU A 85 -2.862 9.583 7.477 1.00 0.00 N ATOM 1338 CA GLU A 85 -2.982 11.032 7.419 1.00 0.00 C ATOM 1339 C GLU A 85 -3.598 11.467 6.098 1.00 0.00 C ATOM 1340 O GLU A 85 -2.908 11.567 5.083 1.00 0.00 O ATOM 1341 CB GLU A 85 -1.614 11.693 7.594 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.534 12.618 8.799 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.107 12.968 9.183 1.00 0.00 C ATOM 1344 OE1 GLU A 85 0.795 12.129 8.969 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.109 14.086 9.697 1.00 0.00 O ATOM 0 H GLU A 85 -2.894 9.121 6.568 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.634 11.348 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.855 10.917 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.376 12.261 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.082 13.535 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.027 12.144 9.648 1.00 0.00 H new ATOM 1352 N ASP A 86 -4.903 11.718 6.123 1.00 0.00 N ATOM 1353 CA ASP A 86 -5.634 12.146 4.933 1.00 0.00 C ATOM 1354 C ASP A 86 -4.894 13.281 4.219 1.00 0.00 C ATOM 1355 O ASP A 86 -4.908 14.427 4.675 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.046 12.596 5.319 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.857 13.071 4.127 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.788 12.424 3.062 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.564 14.088 4.261 1.00 0.00 O ATOM 0 H ASP A 86 -5.480 11.632 6.960 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.704 11.301 4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.567 11.769 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.979 13.401 6.051 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.241 12.944 3.107 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.488 13.929 2.346 1.00 0.00 C ATOM 1366 C GLY A 87 -1.981 13.719 2.441 1.00 0.00 C ATOM 1367 O GLY A 87 -1.210 14.674 2.322 1.00 0.00 O ATOM 0 H GLY A 87 -4.221 12.001 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.792 13.884 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.735 14.927 2.707 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.562 12.468 2.655 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.143 12.134 2.768 1.00 0.00 C ATOM 1373 C ASP A 88 0.366 11.463 1.491 1.00 0.00 C ATOM 1374 O ASP A 88 -0.422 11.112 0.609 1.00 0.00 O ATOM 1375 CB ASP A 88 0.087 11.215 3.972 1.00 0.00 C ATOM 1376 CG ASP A 88 1.404 11.489 4.671 1.00 0.00 C ATOM 1377 OD1 ASP A 88 1.544 12.576 5.269 1.00 0.00 O ATOM 1378 OD2 ASP A 88 2.295 10.615 4.618 1.00 0.00 O ATOM 0 H ASP A 88 -2.189 11.669 2.753 1.00 0.00 H new ATOM 0 HA ASP A 88 0.414 13.060 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.730 11.341 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.064 10.177 3.641 1.00 0.00 H new ATOM 1383 N ILE A 89 1.688 11.289 1.396 1.00 0.00 N ATOM 1384 CA ILE A 89 2.300 10.666 0.223 1.00 0.00 C ATOM 1385 C ILE A 89 3.037 9.375 0.590 1.00 0.00 C ATOM 1386 O ILE A 89 3.841 9.352 1.525 1.00 0.00 O ATOM 1387 CB ILE A 89 3.288 11.626 -0.478 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.652 13.008 -0.677 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.734 11.051 -1.816 1.00 0.00 C ATOM 1390 CD1 ILE A 89 1.367 12.980 -1.480 1.00 0.00 C ATOM 0 H ILE A 89 2.352 11.571 2.117 1.00 0.00 H new ATOM 0 HA ILE A 89 1.485 10.429 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 89 4.164 11.739 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.450 13.449 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.369 13.659 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.429 11.741 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.227 10.093 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.865 10.908 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.977 13.993 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.566 12.570 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.633 12.357 -0.970 1.00 0.00 H new ATOM 1402 N ILE A 90 2.755 8.306 -0.159 1.00 0.00 N ATOM 1403 CA ILE A 90 3.385 7.005 0.072 1.00 0.00 C ATOM 1404 C ILE A 90 3.817 6.360 -1.249 1.00 0.00 C ATOM 1405 O ILE A 90 3.205 6.596 -2.292 1.00 0.00 O ATOM 1406 CB ILE A 90 2.430 6.045 0.820 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.963 6.673 2.137 1.00 0.00 C ATOM 1408 CG2 ILE A 90 3.104 4.704 1.078 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.724 7.529 1.994 1.00 0.00 C ATOM 0 H ILE A 90 2.092 8.317 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 90 4.266 7.181 0.689 1.00 0.00 H new ATOM 0 HB ILE A 90 1.558 5.872 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.765 5.880 2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.770 7.282 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.414 4.045 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.386 4.250 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.996 4.856 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.452 7.940 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.923 8.344 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.097 6.920 1.615 1.00 0.00 H new ATOM 1421 N SER A 91 4.875 5.547 -1.197 1.00 0.00 N ATOM 1422 CA SER A 91 5.386 4.873 -2.392 1.00 0.00 C ATOM 1423 C SER A 91 5.553 3.373 -2.157 1.00 0.00 C ATOM 1424 O SER A 91 5.882 2.942 -1.051 1.00 0.00 O ATOM 1425 CB SER A 91 6.731 5.473 -2.817 1.00 0.00 C ATOM 1426 OG SER A 91 6.868 6.812 -2.372 1.00 0.00 O ATOM 0 H SER A 91 5.393 5.340 -0.343 1.00 0.00 H new ATOM 0 HA SER A 91 4.655 5.022 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.544 4.869 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.819 5.439 -3.903 1.00 0.00 H new ATOM 0 HG SER A 91 7.053 6.820 -1.410 1.00 0.00 H new ATOM 1432 N PHE A 92 5.336 2.586 -3.212 1.00 0.00 N ATOM 1433 CA PHE A 92 5.474 1.134 -3.135 1.00 0.00 C ATOM 1434 C PHE A 92 6.287 0.605 -4.315 1.00 0.00 C ATOM 1435 O PHE A 92 5.729 0.141 -5.313 1.00 0.00 O ATOM 1436 CB PHE A 92 4.097 0.463 -3.096 1.00 0.00 C ATOM 1437 CG PHE A 92 3.503 0.397 -1.719 1.00 0.00 C ATOM 1438 CD1 PHE A 92 4.149 -0.290 -0.704 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.300 1.024 -1.439 1.00 0.00 C ATOM 1440 CE1 PHE A 92 3.607 -0.348 0.565 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.754 0.969 -0.172 1.00 0.00 C ATOM 1442 CZ PHE A 92 2.409 0.282 0.831 1.00 0.00 C ATOM 0 H PHE A 92 5.063 2.933 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 92 6.005 0.892 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.417 1.008 -3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.182 -0.548 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.087 -0.786 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.783 1.562 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.121 -0.886 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.816 1.463 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.984 0.238 1.823 1.00 0.00 H new ATOM 1452 N THR A 93 7.610 0.684 -4.194 1.00 0.00 N ATOM 1453 CA THR A 93 8.512 0.220 -5.245 1.00 0.00 C ATOM 1454 C THR A 93 8.815 -1.267 -5.088 1.00 0.00 C ATOM 1455 O THR A 93 8.981 -1.764 -3.974 1.00 0.00 O ATOM 1456 CB THR A 93 9.821 1.018 -5.223 1.00 0.00 C ATOM 1457 OG1 THR A 93 10.076 1.540 -3.930 1.00 0.00 O ATOM 1458 CG2 THR A 93 9.835 2.179 -6.196 1.00 0.00 C ATOM 0 H THR A 93 8.083 1.067 -3.375 1.00 0.00 H new ATOM 0 HA THR A 93 8.015 0.376 -6.202 1.00 0.00 H new ATOM 0 HB THR A 93 10.591 0.306 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.917 2.043 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.790 2.699 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.697 1.805 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.028 2.869 -5.951 1.00 0.00 H new ATOM 1466 N SER A 94 8.896 -1.970 -6.215 1.00 0.00 N ATOM 1467 CA SER A 94 9.191 -3.400 -6.212 1.00 0.00 C ATOM 1468 C SER A 94 10.472 -3.681 -6.991 1.00 0.00 C ATOM 1469 O SER A 94 10.454 -3.781 -8.220 1.00 0.00 O ATOM 1470 CB SER A 94 8.026 -4.189 -6.813 1.00 0.00 C ATOM 1471 OG SER A 94 8.274 -5.584 -6.766 1.00 0.00 O ATOM 0 H SER A 94 8.761 -1.571 -7.144 1.00 0.00 H new ATOM 0 HA SER A 94 9.332 -3.719 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.110 -3.961 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.868 -3.880 -7.846 1.00 0.00 H new ATOM 0 HG SER A 94 7.514 -6.065 -7.155 1.00 0.00 H new ATOM 1477 N THR A 95 11.585 -3.806 -6.271 1.00 0.00 N ATOM 1478 CA THR A 95 12.880 -4.073 -6.895 1.00 0.00 C ATOM 1479 C THR A 95 13.109 -5.580 -7.064 1.00 0.00 C ATOM 1480 O THR A 95 14.135 -6.115 -6.639 1.00 0.00 O ATOM 1481 CB THR A 95 14.005 -3.445 -6.062 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.967 -3.920 -4.727 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.939 -1.932 -6.010 1.00 0.00 C ATOM 0 H THR A 95 11.616 -3.727 -5.255 1.00 0.00 H new ATOM 0 HA THR A 95 12.884 -3.622 -7.887 1.00 0.00 H new ATOM 0 HB THR A 95 14.929 -3.737 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.693 -3.509 -4.213 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.763 -1.552 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.015 -1.530 -7.020 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.992 -1.624 -5.567 1.00 0.00 H new ATOM 1491 N LEU A 96 12.144 -6.258 -7.691 1.00 0.00 N ATOM 1492 CA LEU A 96 12.233 -7.702 -7.921 1.00 0.00 C ATOM 1493 C LEU A 96 11.342 -8.135 -9.094 1.00 0.00 C ATOM 1494 O LEU A 96 10.855 -9.267 -9.126 1.00 0.00 O ATOM 1495 CB LEU A 96 11.830 -8.459 -6.647 1.00 0.00 C ATOM 1496 CG LEU A 96 12.805 -9.549 -6.188 1.00 0.00 C ATOM 1497 CD1 LEU A 96 12.395 -10.087 -4.825 1.00 0.00 C ATOM 1498 CD2 LEU A 96 12.873 -10.679 -7.207 1.00 0.00 C ATOM 0 H LEU A 96 11.291 -5.829 -8.049 1.00 0.00 H new ATOM 0 HA LEU A 96 13.265 -7.943 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.713 -7.737 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.854 -8.915 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 96 13.797 -9.106 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.097 -10.860 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.401 -9.276 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.393 -10.511 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.571 -11.441 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.884 -11.121 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.213 -10.285 -8.165 1.00 0.00 H new ATOM 1510 N HIS A 97 11.129 -7.226 -10.056 1.00 0.00 N ATOM 1511 CA HIS A 97 10.292 -7.509 -11.228 1.00 0.00 C ATOM 1512 C HIS A 97 8.845 -7.800 -10.815 1.00 0.00 C ATOM 1513 O HIS A 97 8.517 -7.803 -9.626 1.00 0.00 O ATOM 1514 CB HIS A 97 10.860 -8.692 -12.023 1.00 0.00 C ATOM 1515 CG HIS A 97 11.007 -8.414 -13.488 1.00 0.00 C ATOM 1516 ND1 HIS A 97 12.162 -7.909 -14.045 1.00 0.00 N ATOM 1517 CD2 HIS A 97 10.135 -8.572 -14.513 1.00 0.00 C ATOM 1518 CE1 HIS A 97 11.994 -7.767 -15.349 1.00 0.00 C ATOM 1519 NE2 HIS A 97 10.773 -8.164 -15.657 1.00 0.00 N ATOM 0 H HIS A 97 11.526 -6.287 -10.044 1.00 0.00 H new ATOM 0 HA HIS A 97 10.296 -6.623 -11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 97 11.834 -8.961 -11.613 1.00 0.00 H new ATOM 0 HB3 HIS A 97 10.208 -9.556 -11.889 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.125 -8.949 -14.443 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.730 -7.390 -16.044 1.00 0.00 H new ATOM 0 HE2 HIS A 97 10.369 -8.167 -16.594 1.00 0.00 H new ATOM 1528 N GLY A 98 7.982 -8.041 -11.805 1.00 0.00 N ATOM 1529 CA GLY A 98 6.588 -8.330 -11.520 1.00 0.00 C ATOM 1530 C GLY A 98 5.758 -8.526 -12.776 1.00 0.00 C ATOM 1531 O GLY A 98 5.107 -7.591 -13.244 1.00 0.00 O ATOM 0 H GLY A 98 8.226 -8.041 -12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.526 -9.228 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.165 -7.514 -10.934 1.00 0.00 H new ATOM 1535 N GLY A 99 5.781 -9.743 -13.320 1.00 0.00 N ATOM 1536 CA GLY A 99 5.018 -10.038 -14.523 1.00 0.00 C ATOM 1537 C GLY A 99 4.630 -11.500 -14.623 1.00 0.00 C ATOM 1538 O GLY A 99 3.667 -11.906 -13.939 1.00 0.00 O ATOM 0 H GLY A 99 6.314 -10.529 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.117 -9.425 -14.537 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.605 -9.761 -15.398 1.00 0.00 H new TER 1542 GLY A 99