USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 835 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 89 HIS : no HD1:sc= -0.8 K(o=-0.8,f=-1.6) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.305 USER MOD Set 2.2: A 34 CYS SG : rot 54:sc= 0.599 USER MOD Set 2.3: A 73 LYS NZ :NH3+ -170:sc= 1.55 (180deg=0.892) USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00774 (180deg=-0.222) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 168:sc=-0.00714 (180deg=-0.201) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1.12 (180deg=0.948) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0432 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.428 K(o=0.43,f=-0.45) USER MOD Single : A 29 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= -0.114 X(o=-0.11,f=-0.4) USER MOD Single : A 44 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.037) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.26) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00616 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0136 (180deg=-0.18) USER MOD Single : A 69 MET CE :methyl -174:sc= -0.528 (180deg=-0.81) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -96:sc= 0.0791 USER MOD Single : A 78 MET CE :methyl 165:sc= -0.845 (180deg=-1.26) USER MOD Single : A 80 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD Single : A 82 TYR OH : rot -51:sc= 0.157 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 0.308 (180deg=0.206) USER MOD Single : A 88 SER OG : rot 180:sc= 0.13 USER MOD Single : A 93 MET CE :methyl -165:sc= -0.687 (180deg=-1.07) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= 0.808 K(o=0.81,f=-3.1!) USER MOD Single : A 100 SER OG : rot 111:sc= 0.0615 USER MOD Single : B 1 A O2' : rot -139:sc= 0.787 USER MOD Single : B 1 A O5' : rot 180:sc= 0 USER MOD Single : B 2 G O2' : rot -17:sc= 0.124 USER MOD Single : B 3 G O2' : rot 27:sc= 0.211 USER MOD Single : B 4 G O2' : rot -84:sc= 1.7 USER MOD Single : B 5 A O2' : rot 167:sc= 1.3 USER MOD Single : B 6 U O2' : rot -26:sc= 0.0941 USER MOD Single : B 6 U O3' : rot -85:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.311 -13.141 12.116 1.00 0.00 N ATOM 2 CA MET A 1 -10.038 -13.532 10.720 1.00 0.00 C ATOM 3 C MET A 1 -10.618 -14.915 10.439 1.00 0.00 C ATOM 4 O MET A 1 -10.097 -15.917 10.925 1.00 0.00 O ATOM 5 CB MET A 1 -8.535 -13.488 10.435 1.00 0.00 C ATOM 6 CG MET A 1 -8.250 -13.742 8.953 1.00 0.00 C ATOM 7 SD MET A 1 -6.499 -13.606 8.507 1.00 0.00 S ATOM 8 CE MET A 1 -5.836 -15.033 9.406 1.00 0.00 C ATOM 0 H1 MET A 1 -9.912 -12.198 12.297 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.338 -13.119 12.276 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.875 -13.831 12.761 1.00 0.00 H new ATOM 0 HA MET A 1 -10.522 -12.820 10.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.135 -12.516 10.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.024 -14.237 11.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.605 -14.739 8.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.823 -13.032 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.822 -15.239 9.064 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.822 -14.816 10.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.465 -15.904 9.221 1.00 0.00 H new ATOM 18 N MET A 2 -11.698 -14.968 9.652 1.00 0.00 N ATOM 19 CA MET A 2 -12.388 -16.214 9.342 1.00 0.00 C ATOM 20 C MET A 2 -13.157 -16.110 8.019 1.00 0.00 C ATOM 21 O MET A 2 -13.898 -17.022 7.659 1.00 0.00 O ATOM 22 CB MET A 2 -13.329 -16.542 10.508 1.00 0.00 C ATOM 23 CG MET A 2 -13.813 -17.993 10.466 1.00 0.00 C ATOM 24 SD MET A 2 -14.772 -18.501 11.919 1.00 0.00 S ATOM 25 CE MET A 2 -16.213 -17.419 11.735 1.00 0.00 C ATOM 0 H MET A 2 -12.114 -14.146 9.215 1.00 0.00 H new ATOM 0 HA MET A 2 -11.661 -17.017 9.217 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.814 -16.359 11.451 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.189 -15.872 10.479 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.424 -18.135 9.574 1.00 0.00 H new ATOM 0 HG3 MET A 2 -12.949 -18.650 10.368 1.00 0.00 H new ATOM 0 HE1 MET A 2 -17.000 -17.742 12.416 1.00 0.00 H new ATOM 0 HE2 MET A 2 -15.930 -16.393 11.968 1.00 0.00 H new ATOM 0 HE3 MET A 2 -16.578 -17.470 10.709 1.00 0.00 H new ATOM 35 N LEU A 3 -12.990 -15.002 7.287 1.00 0.00 N ATOM 36 CA LEU A 3 -13.719 -14.759 6.049 1.00 0.00 C ATOM 37 C LEU A 3 -12.799 -14.159 4.980 1.00 0.00 C ATOM 38 O LEU A 3 -13.261 -13.722 3.927 1.00 0.00 O ATOM 39 CB LEU A 3 -14.914 -13.853 6.377 1.00 0.00 C ATOM 40 CG LEU A 3 -15.935 -13.703 5.240 1.00 0.00 C ATOM 41 CD1 LEU A 3 -16.471 -15.060 4.784 1.00 0.00 C ATOM 42 CD2 LEU A 3 -17.106 -12.859 5.740 1.00 0.00 C ATOM 0 H LEU A 3 -12.345 -14.253 7.541 1.00 0.00 H new ATOM 0 HA LEU A 3 -14.089 -15.694 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.424 -14.250 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.541 -12.865 6.645 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.438 -13.227 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.191 -14.915 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.646 -15.676 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.959 -15.558 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.839 -12.745 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.572 -13.353 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.743 -11.877 6.043 1.00 0.00 H new ATOM 54 N GLY A 4 -11.489 -14.134 5.243 1.00 0.00 N ATOM 55 CA GLY A 4 -10.520 -13.589 4.304 1.00 0.00 C ATOM 56 C GLY A 4 -9.077 -13.899 4.705 1.00 0.00 C ATOM 57 O GLY A 4 -8.250 -12.990 4.742 1.00 0.00 O ATOM 0 H GLY A 4 -11.079 -14.489 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.713 -13.995 3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.651 -12.509 4.238 1.00 0.00 H new ATOM 61 N PRO A 5 -8.747 -15.163 5.007 1.00 0.00 N ATOM 62 CA PRO A 5 -7.409 -15.554 5.418 1.00 0.00 C ATOM 63 C PRO A 5 -6.401 -15.422 4.273 1.00 0.00 C ATOM 64 O PRO A 5 -5.212 -15.671 4.468 1.00 0.00 O ATOM 65 CB PRO A 5 -7.540 -17.002 5.888 1.00 0.00 C ATOM 66 CG PRO A 5 -8.713 -17.527 5.063 1.00 0.00 C ATOM 67 CD PRO A 5 -9.631 -16.313 4.970 1.00 0.00 C ATOM 0 HA PRO A 5 -7.029 -14.907 6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.629 -17.571 5.701 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.740 -17.062 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.394 -17.869 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.205 -18.370 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.215 -16.331 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.340 -16.291 5.798 1.00 0.00 H new ATOM 75 N GLU A 6 -6.863 -15.032 3.081 1.00 0.00 N ATOM 76 CA GLU A 6 -6.000 -14.837 1.925 1.00 0.00 C ATOM 77 C GLU A 6 -5.090 -13.619 2.097 1.00 0.00 C ATOM 78 O GLU A 6 -4.103 -13.490 1.372 1.00 0.00 O ATOM 79 CB GLU A 6 -6.860 -14.664 0.670 1.00 0.00 C ATOM 80 CG GLU A 6 -7.720 -15.901 0.396 1.00 0.00 C ATOM 81 CD GLU A 6 -6.859 -17.139 0.145 1.00 0.00 C ATOM 82 OE1 GLU A 6 -6.267 -17.218 -0.954 1.00 0.00 O ATOM 83 OE2 GLU A 6 -6.799 -17.997 1.054 1.00 0.00 O ATOM 0 H GLU A 6 -7.848 -14.844 2.896 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.364 -15.717 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.504 -13.792 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.216 -14.471 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.380 -16.082 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.357 -15.718 -0.470 1.00 0.00 H new ATOM 90 N GLY A 7 -5.404 -12.724 3.042 1.00 0.00 N ATOM 91 CA GLY A 7 -4.562 -11.565 3.306 1.00 0.00 C ATOM 92 C GLY A 7 -5.304 -10.398 3.955 1.00 0.00 C ATOM 93 O GLY A 7 -4.663 -9.471 4.447 1.00 0.00 O ATOM 0 H GLY A 7 -6.234 -12.785 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.739 -11.866 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.121 -11.227 2.368 1.00 0.00 H new ATOM 97 N GLY A 8 -6.641 -10.416 3.968 1.00 0.00 N ATOM 98 CA GLY A 8 -7.410 -9.316 4.533 1.00 0.00 C ATOM 99 C GLY A 8 -8.913 -9.563 4.459 1.00 0.00 C ATOM 100 O GLY A 8 -9.365 -10.532 3.853 1.00 0.00 O ATOM 0 H GLY A 8 -7.206 -11.179 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.119 -9.169 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.169 -8.396 4.001 1.00 0.00 H new ATOM 104 N GLU A 9 -9.688 -8.674 5.086 1.00 0.00 N ATOM 105 CA GLU A 9 -11.130 -8.832 5.238 1.00 0.00 C ATOM 106 C GLU A 9 -11.860 -7.500 5.049 1.00 0.00 C ATOM 107 O GLU A 9 -12.990 -7.342 5.507 1.00 0.00 O ATOM 108 CB GLU A 9 -11.435 -9.411 6.624 1.00 0.00 C ATOM 109 CG GLU A 9 -10.848 -10.815 6.784 1.00 0.00 C ATOM 110 CD GLU A 9 -11.232 -11.439 8.123 1.00 0.00 C ATOM 111 OE1 GLU A 9 -11.068 -10.752 9.156 1.00 0.00 O ATOM 112 OE2 GLU A 9 -11.688 -12.604 8.106 1.00 0.00 O ATOM 0 H GLU A 9 -9.325 -7.818 5.505 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.486 -9.516 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.026 -8.754 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.514 -9.447 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.200 -11.451 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.762 -10.767 6.703 1.00 0.00 H new ATOM 119 N GLY A 10 -11.219 -6.539 4.376 1.00 0.00 N ATOM 120 CA GLY A 10 -11.798 -5.228 4.137 1.00 0.00 C ATOM 121 C GLY A 10 -11.600 -4.801 2.688 1.00 0.00 C ATOM 122 O GLY A 10 -10.855 -5.431 1.937 1.00 0.00 O ATOM 0 H GLY A 10 -10.284 -6.656 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.862 -5.248 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.338 -4.497 4.802 1.00 0.00 H new ATOM 126 N PHE A 11 -12.277 -3.719 2.299 1.00 0.00 N ATOM 127 CA PHE A 11 -12.210 -3.176 0.948 1.00 0.00 C ATOM 128 C PHE A 11 -11.024 -2.221 0.841 1.00 0.00 C ATOM 129 O PHE A 11 -11.129 -1.132 0.281 1.00 0.00 O ATOM 130 CB PHE A 11 -13.523 -2.480 0.588 1.00 0.00 C ATOM 131 CG PHE A 11 -14.772 -3.277 0.902 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.739 -4.678 0.935 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.974 -2.602 1.164 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.901 -5.401 1.237 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.136 -3.327 1.461 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.100 -4.727 1.501 1.00 0.00 C ATOM 0 H PHE A 11 -12.891 -3.193 2.921 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.064 -3.988 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.572 -1.530 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.515 -2.249 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.817 -5.201 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.004 -1.523 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.872 -6.480 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.061 -2.806 1.659 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.995 -5.285 1.735 1.00 0.00 H new ATOM 146 N VAL A 12 -9.889 -2.648 1.390 1.00 0.00 N ATOM 147 CA VAL A 12 -8.668 -1.862 1.442 1.00 0.00 C ATOM 148 C VAL A 12 -7.528 -2.750 0.971 1.00 0.00 C ATOM 149 O VAL A 12 -7.567 -3.964 1.170 1.00 0.00 O ATOM 150 CB VAL A 12 -8.440 -1.383 2.883 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.136 -0.598 3.020 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.588 -0.483 3.340 1.00 0.00 C ATOM 0 H VAL A 12 -9.795 -3.569 1.818 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.731 -0.983 0.801 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.388 -2.277 3.505 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.012 -0.277 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.297 -1.233 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.168 0.276 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.407 -0.154 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.651 0.386 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.525 -1.038 3.297 1.00 0.00 H new ATOM 162 N VAL A 13 -6.509 -2.156 0.348 1.00 0.00 N ATOM 163 CA VAL A 13 -5.363 -2.919 -0.129 1.00 0.00 C ATOM 164 C VAL A 13 -4.049 -2.196 0.131 1.00 0.00 C ATOM 165 O VAL A 13 -4.013 -0.981 0.321 1.00 0.00 O ATOM 166 CB VAL A 13 -5.488 -3.227 -1.627 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.683 -4.137 -1.894 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.635 -1.955 -2.464 1.00 0.00 C ATOM 0 H VAL A 13 -6.457 -1.154 0.164 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.357 -3.854 0.431 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.567 -3.730 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.752 -4.342 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.555 -5.074 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.596 -3.646 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.720 -2.221 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.529 -1.416 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.760 -1.321 -2.319 1.00 0.00 H new ATOM 178 N LYS A 14 -2.967 -2.974 0.134 1.00 0.00 N ATOM 179 CA LYS A 14 -1.608 -2.476 0.261 1.00 0.00 C ATOM 180 C LYS A 14 -1.048 -2.216 -1.134 1.00 0.00 C ATOM 181 O LYS A 14 -1.539 -2.782 -2.110 1.00 0.00 O ATOM 182 CB LYS A 14 -0.738 -3.520 0.972 1.00 0.00 C ATOM 183 CG LYS A 14 -1.472 -4.183 2.140 1.00 0.00 C ATOM 184 CD LYS A 14 -0.518 -5.086 2.924 1.00 0.00 C ATOM 185 CE LYS A 14 -1.317 -5.946 3.900 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.427 -6.720 4.784 1.00 0.00 N ATOM 0 H LYS A 14 -3.018 -3.989 0.046 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.607 -1.554 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.432 -4.283 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.171 -3.044 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.885 -3.419 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.312 -4.768 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.044 -5.721 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.209 -4.481 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.967 -5.310 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.963 -6.626 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.989 -7.405 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.276 -7.228 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.060 -6.074 5.437 1.00 0.00 H new ATOM 200 N LEU A 15 -0.026 -1.368 -1.231 1.00 0.00 N ATOM 201 CA LEU A 15 0.647 -1.071 -2.480 1.00 0.00 C ATOM 202 C LEU A 15 2.141 -0.958 -2.194 1.00 0.00 C ATOM 203 O LEU A 15 2.538 -0.169 -1.343 1.00 0.00 O ATOM 204 CB LEU A 15 0.083 0.256 -2.983 1.00 0.00 C ATOM 205 CG LEU A 15 0.214 0.475 -4.488 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.613 0.179 -5.020 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.795 -0.404 -5.220 1.00 0.00 C ATOM 0 H LEU A 15 0.358 -0.865 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 15 0.494 -1.844 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.971 0.313 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.590 1.070 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 15 0.018 1.532 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.638 0.354 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.335 0.832 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.867 -0.861 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.702 -0.248 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.601 -1.451 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.804 -0.142 -4.902 1.00 0.00 H new ATOM 219 N ARG A 16 2.970 -1.737 -2.892 1.00 0.00 N ATOM 220 CA ARG A 16 4.405 -1.784 -2.621 1.00 0.00 C ATOM 221 C ARG A 16 5.191 -1.716 -3.930 1.00 0.00 C ATOM 222 O ARG A 16 4.631 -1.956 -4.999 1.00 0.00 O ATOM 223 CB ARG A 16 4.763 -3.076 -1.873 1.00 0.00 C ATOM 224 CG ARG A 16 3.714 -3.482 -0.832 1.00 0.00 C ATOM 225 CD ARG A 16 4.201 -4.687 -0.028 1.00 0.00 C ATOM 226 NE ARG A 16 5.338 -4.331 0.830 1.00 0.00 N ATOM 227 CZ ARG A 16 6.198 -5.214 1.344 1.00 0.00 C ATOM 228 NH1 ARG A 16 6.082 -6.513 1.078 1.00 0.00 N ATOM 229 NH2 ARG A 16 7.181 -4.789 2.132 1.00 0.00 N ATOM 0 H ARG A 16 2.668 -2.346 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 16 4.668 -0.928 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.882 -3.885 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.725 -2.947 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.515 -2.646 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.774 -3.724 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.386 -5.071 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.492 -5.487 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 16 5.480 -3.345 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.329 -6.845 0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.746 -7.177 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.274 -3.795 2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.842 -5.457 2.528 1.00 0.00 H new ATOM 243 N GLY A 17 6.484 -1.389 -3.857 1.00 0.00 N ATOM 244 CA GLY A 17 7.341 -1.370 -5.036 1.00 0.00 C ATOM 245 C GLY A 17 7.689 0.049 -5.475 1.00 0.00 C ATOM 246 O GLY A 17 7.804 0.940 -4.636 1.00 0.00 O ATOM 0 H GLY A 17 6.957 -1.134 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.259 -1.918 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.842 -1.889 -5.854 1.00 0.00 H new ATOM 250 N LEU A 18 7.849 0.221 -6.795 1.00 0.00 N ATOM 251 CA LEU A 18 8.132 1.479 -7.483 1.00 0.00 C ATOM 252 C LEU A 18 9.111 2.406 -6.743 1.00 0.00 C ATOM 253 O LEU A 18 8.705 3.172 -5.870 1.00 0.00 O ATOM 254 CB LEU A 18 6.832 2.199 -7.868 1.00 0.00 C ATOM 255 CG LEU A 18 5.843 2.417 -6.717 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.016 3.656 -7.038 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.875 1.241 -6.566 1.00 0.00 C ATOM 0 H LEU A 18 7.779 -0.562 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 18 8.659 1.204 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.085 3.168 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.335 1.625 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 18 6.411 2.521 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.302 3.835 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.676 4.518 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.478 3.502 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.192 1.436 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.305 1.118 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.438 0.330 -6.364 1.00 0.00 H new ATOM 269 N PRO A 19 10.409 2.350 -7.080 1.00 0.00 N ATOM 270 CA PRO A 19 11.448 3.132 -6.427 1.00 0.00 C ATOM 271 C PRO A 19 11.292 4.616 -6.783 1.00 0.00 C ATOM 272 O PRO A 19 11.511 4.991 -7.933 1.00 0.00 O ATOM 273 CB PRO A 19 12.769 2.567 -6.949 1.00 0.00 C ATOM 274 CG PRO A 19 12.407 2.011 -8.322 1.00 0.00 C ATOM 275 CD PRO A 19 10.974 1.521 -8.132 1.00 0.00 C ATOM 0 HA PRO A 19 11.396 3.068 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.535 3.339 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.159 1.789 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.472 2.776 -9.096 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.074 1.201 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.402 1.617 -9.055 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.955 0.468 -7.853 1.00 0.00 H new ATOM 283 N TRP A 20 10.918 5.487 -5.837 1.00 0.00 N ATOM 284 CA TRP A 20 10.629 5.168 -4.443 1.00 0.00 C ATOM 285 C TRP A 20 9.384 5.916 -3.965 1.00 0.00 C ATOM 286 O TRP A 20 9.017 5.814 -2.797 1.00 0.00 O ATOM 287 CB TRP A 20 11.835 5.537 -3.576 1.00 0.00 C ATOM 288 CG TRP A 20 13.140 4.907 -3.957 1.00 0.00 C ATOM 289 CD1 TRP A 20 14.012 5.399 -4.865 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.752 3.677 -3.457 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.111 4.572 -4.960 1.00 0.00 N ATOM 292 CE2 TRP A 20 15.011 3.499 -4.099 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.383 2.704 -2.509 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.857 2.423 -3.808 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.236 1.637 -2.198 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.465 1.497 -2.844 1.00 0.00 C ATOM 0 H TRP A 20 10.805 6.480 -6.038 1.00 0.00 H new ATOM 0 HA TRP A 20 10.435 4.099 -4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.957 6.620 -3.601 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.611 5.265 -2.544 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.869 6.307 -5.433 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.899 4.733 -5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.427 2.781 -2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.800 2.312 -4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.939 0.916 -1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.113 0.669 -2.596 1.00 0.00 H new ATOM 307 N SER A 21 8.735 6.666 -4.860 1.00 0.00 N ATOM 308 CA SER A 21 7.521 7.405 -4.546 1.00 0.00 C ATOM 309 C SER A 21 6.741 7.714 -5.822 1.00 0.00 C ATOM 310 O SER A 21 7.266 7.589 -6.929 1.00 0.00 O ATOM 311 CB SER A 21 7.886 8.708 -3.830 1.00 0.00 C ATOM 312 OG SER A 21 8.701 9.511 -4.659 1.00 0.00 O ATOM 0 H SER A 21 9.043 6.775 -5.826 1.00 0.00 H new ATOM 0 HA SER A 21 6.894 6.796 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.979 9.251 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.409 8.486 -2.900 1.00 0.00 H new ATOM 0 HG SER A 21 8.926 10.342 -4.191 1.00 0.00 H new ATOM 318 N CYS A 22 5.478 8.119 -5.661 1.00 0.00 N ATOM 319 CA CYS A 22 4.600 8.484 -6.756 1.00 0.00 C ATOM 320 C CYS A 22 3.523 9.443 -6.250 1.00 0.00 C ATOM 321 O CYS A 22 3.572 9.883 -5.101 1.00 0.00 O ATOM 322 CB CYS A 22 3.961 7.210 -7.308 1.00 0.00 C ATOM 323 SG CYS A 22 2.964 6.406 -6.026 1.00 0.00 S ATOM 0 H CYS A 22 5.037 8.201 -4.745 1.00 0.00 H new ATOM 0 HA CYS A 22 5.163 8.982 -7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.336 7.451 -8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.736 6.528 -7.658 1.00 0.00 H new ATOM 0 HG CYS A 22 2.425 5.326 -6.509 1.00 0.00 H new ATOM 329 N SER A 23 2.548 9.767 -7.104 1.00 0.00 N ATOM 330 CA SER A 23 1.420 10.603 -6.718 1.00 0.00 C ATOM 331 C SER A 23 0.156 9.751 -6.666 1.00 0.00 C ATOM 332 O SER A 23 0.123 8.639 -7.197 1.00 0.00 O ATOM 333 CB SER A 23 1.254 11.755 -7.708 1.00 0.00 C ATOM 334 OG SER A 23 2.427 12.541 -7.740 1.00 0.00 O ATOM 0 H SER A 23 2.523 9.457 -8.075 1.00 0.00 H new ATOM 0 HA SER A 23 1.603 11.028 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.043 11.362 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.402 12.371 -7.421 1.00 0.00 H new ATOM 0 HG SER A 23 2.311 13.275 -8.378 1.00 0.00 H new ATOM 340 N VAL A 24 -0.894 10.270 -6.022 1.00 0.00 N ATOM 341 CA VAL A 24 -2.132 9.526 -5.862 1.00 0.00 C ATOM 342 C VAL A 24 -2.783 9.247 -7.213 1.00 0.00 C ATOM 343 O VAL A 24 -3.638 8.372 -7.316 1.00 0.00 O ATOM 344 CB VAL A 24 -3.104 10.256 -4.920 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.388 11.248 -4.005 1.00 0.00 C ATOM 346 CG2 VAL A 24 -4.204 11.013 -5.653 1.00 0.00 C ATOM 0 H VAL A 24 -0.904 11.201 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.885 8.568 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.554 9.457 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.116 11.738 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.659 10.717 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.877 11.997 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.853 11.504 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.757 11.763 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.790 10.315 -6.250 1.00 0.00 H new ATOM 356 N GLU A 25 -2.376 9.992 -8.246 1.00 0.00 N ATOM 357 CA GLU A 25 -2.911 9.833 -9.585 1.00 0.00 C ATOM 358 C GLU A 25 -2.283 8.639 -10.299 1.00 0.00 C ATOM 359 O GLU A 25 -2.895 8.079 -11.204 1.00 0.00 O ATOM 360 CB GLU A 25 -2.640 11.100 -10.390 1.00 0.00 C ATOM 361 CG GLU A 25 -3.285 12.316 -9.722 1.00 0.00 C ATOM 362 CD GLU A 25 -3.145 13.558 -10.599 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.117 14.257 -10.453 1.00 0.00 O ATOM 364 OE2 GLU A 25 -4.067 13.802 -11.411 1.00 0.00 O ATOM 0 H GLU A 25 -1.666 10.720 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.983 9.656 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.565 11.256 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.031 10.985 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.340 12.116 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.817 12.495 -8.754 1.00 0.00 H new ATOM 371 N ASP A 26 -1.069 8.244 -9.903 1.00 0.00 N ATOM 372 CA ASP A 26 -0.386 7.120 -10.526 1.00 0.00 C ATOM 373 C ASP A 26 -0.900 5.806 -9.950 1.00 0.00 C ATOM 374 O ASP A 26 -1.060 4.829 -10.680 1.00 0.00 O ATOM 375 CB ASP A 26 1.117 7.228 -10.266 1.00 0.00 C ATOM 376 CG ASP A 26 1.698 8.529 -10.811 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.582 8.746 -12.037 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.254 9.295 -9.992 1.00 0.00 O ATOM 0 H ASP A 26 -0.543 8.691 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.580 7.141 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.305 7.168 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.627 6.382 -10.727 1.00 0.00 H new ATOM 383 N VAL A 27 -1.160 5.778 -8.641 1.00 0.00 N ATOM 384 CA VAL A 27 -1.652 4.576 -7.991 1.00 0.00 C ATOM 385 C VAL A 27 -3.101 4.286 -8.386 1.00 0.00 C ATOM 386 O VAL A 27 -3.468 3.122 -8.537 1.00 0.00 O ATOM 387 CB VAL A 27 -1.482 4.705 -6.474 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.335 5.831 -5.897 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.840 3.396 -5.781 1.00 0.00 C ATOM 0 H VAL A 27 -1.036 6.575 -8.017 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.064 3.722 -8.327 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.434 4.943 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.183 5.887 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.045 6.777 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.387 5.634 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.713 3.508 -4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.877 3.140 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.187 2.602 -6.143 1.00 0.00 H new ATOM 399 N GLN A 28 -3.934 5.319 -8.558 1.00 0.00 N ATOM 400 CA GLN A 28 -5.302 5.102 -9.006 1.00 0.00 C ATOM 401 C GLN A 28 -5.329 4.711 -10.485 1.00 0.00 C ATOM 402 O GLN A 28 -6.257 4.037 -10.928 1.00 0.00 O ATOM 403 CB GLN A 28 -6.153 6.347 -8.753 1.00 0.00 C ATOM 404 CG GLN A 28 -5.682 7.557 -9.555 1.00 0.00 C ATOM 405 CD GLN A 28 -6.498 8.795 -9.203 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.130 9.392 -10.071 1.00 0.00 O ATOM 407 NE2 GLN A 28 -6.498 9.198 -7.934 1.00 0.00 N ATOM 0 H GLN A 28 -3.685 6.295 -8.395 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.727 4.279 -8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.191 6.130 -9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.128 6.589 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.627 7.743 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.772 7.349 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.964 8.682 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.032 10.023 -7.661 1.00 0.00 H new ATOM 416 N ASN A 29 -4.315 5.129 -11.254 1.00 0.00 N ATOM 417 CA ASN A 29 -4.189 4.751 -12.656 1.00 0.00 C ATOM 418 C ASN A 29 -3.825 3.273 -12.794 1.00 0.00 C ATOM 419 O ASN A 29 -4.174 2.636 -13.787 1.00 0.00 O ATOM 420 CB ASN A 29 -3.115 5.640 -13.301 1.00 0.00 C ATOM 421 CG ASN A 29 -2.101 4.850 -14.119 1.00 0.00 C ATOM 422 OD1 ASN A 29 -2.256 4.675 -15.323 1.00 0.00 O ATOM 423 ND2 ASN A 29 -1.051 4.370 -13.455 1.00 0.00 N ATOM 0 H ASN A 29 -3.566 5.735 -10.919 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.143 4.896 -13.163 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.598 6.376 -13.944 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.592 6.193 -12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.337 3.834 -13.948 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.961 4.539 -12.453 1.00 0.00 H new ATOM 430 N PHE A 30 -3.121 2.725 -11.798 1.00 0.00 N ATOM 431 CA PHE A 30 -2.620 1.363 -11.856 1.00 0.00 C ATOM 432 C PHE A 30 -3.665 0.350 -11.391 1.00 0.00 C ATOM 433 O PHE A 30 -3.676 -0.785 -11.866 1.00 0.00 O ATOM 434 CB PHE A 30 -1.363 1.303 -10.995 1.00 0.00 C ATOM 435 CG PHE A 30 -0.800 -0.086 -10.831 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.077 -0.681 -11.873 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.004 -0.779 -9.632 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.437 -1.974 -11.716 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.511 -2.079 -9.484 1.00 0.00 C ATOM 440 CZ PHE A 30 0.217 -2.675 -10.520 1.00 0.00 C ATOM 0 H PHE A 30 -2.887 3.217 -10.936 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.388 1.096 -12.887 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.600 1.944 -11.438 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.589 1.711 -10.010 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.084 -0.143 -12.796 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.542 -0.310 -8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.002 -2.432 -12.514 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.692 -2.624 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.609 -3.674 -10.399 1.00 0.00 H new ATOM 450 N LEU A 31 -4.545 0.743 -10.467 1.00 0.00 N ATOM 451 CA LEU A 31 -5.665 -0.089 -10.046 1.00 0.00 C ATOM 452 C LEU A 31 -6.804 0.078 -11.050 1.00 0.00 C ATOM 453 O LEU A 31 -7.863 0.615 -10.731 1.00 0.00 O ATOM 454 CB LEU A 31 -6.097 0.267 -8.620 1.00 0.00 C ATOM 455 CG LEU A 31 -5.331 -0.528 -7.555 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.824 -0.506 -7.768 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.652 0.042 -6.176 1.00 0.00 C ATOM 0 H LEU A 31 -4.498 1.645 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.367 -1.137 -10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.943 1.333 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.165 0.079 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.652 -1.567 -7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.337 -1.085 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.587 -0.940 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.467 0.523 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.110 -0.520 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.352 1.089 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.723 -0.036 -5.990 1.00 0.00 H new ATOM 469 N SER A 32 -6.573 -0.392 -12.276 1.00 0.00 N ATOM 470 CA SER A 32 -7.552 -0.350 -13.346 1.00 0.00 C ATOM 471 C SER A 32 -8.899 -0.906 -12.893 1.00 0.00 C ATOM 472 O SER A 32 -8.963 -1.837 -12.090 1.00 0.00 O ATOM 473 CB SER A 32 -7.017 -1.135 -14.541 1.00 0.00 C ATOM 474 OG SER A 32 -6.728 -2.464 -14.156 1.00 0.00 O ATOM 0 H SER A 32 -5.687 -0.817 -12.551 1.00 0.00 H new ATOM 0 HA SER A 32 -7.715 0.689 -13.634 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.751 -1.133 -15.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.118 -0.656 -14.928 1.00 0.00 H new ATOM 0 HG SER A 32 -6.387 -2.962 -14.928 1.00 0.00 H new ATOM 480 N ASP A 33 -9.966 -0.312 -13.430 1.00 0.00 N ATOM 481 CA ASP A 33 -11.364 -0.624 -13.150 1.00 0.00 C ATOM 482 C ASP A 33 -11.763 -0.529 -11.673 1.00 0.00 C ATOM 483 O ASP A 33 -12.945 -0.669 -11.363 1.00 0.00 O ATOM 484 CB ASP A 33 -11.718 -1.993 -13.737 1.00 0.00 C ATOM 485 CG ASP A 33 -11.478 -2.035 -15.245 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.203 -1.313 -15.964 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.572 -2.788 -15.666 1.00 0.00 O ATOM 0 H ASP A 33 -9.870 0.442 -14.110 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.951 0.154 -13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.120 -2.764 -13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.763 -2.221 -13.527 1.00 0.00 H new ATOM 492 N CYS A 34 -10.820 -0.298 -10.754 1.00 0.00 N ATOM 493 CA CYS A 34 -11.130 -0.183 -9.339 1.00 0.00 C ATOM 494 C CYS A 34 -11.749 1.179 -9.040 1.00 0.00 C ATOM 495 O CYS A 34 -11.864 2.033 -9.919 1.00 0.00 O ATOM 496 CB CYS A 34 -9.848 -0.359 -8.525 1.00 0.00 C ATOM 497 SG CYS A 34 -9.128 -1.983 -8.884 1.00 0.00 S ATOM 0 H CYS A 34 -9.830 -0.187 -10.975 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.847 -0.958 -9.067 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.136 0.429 -8.771 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.065 -0.272 -7.460 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.981 -2.118 -10.169 1.00 0.00 H new ATOM 503 N THR A 35 -12.149 1.374 -7.783 1.00 0.00 N ATOM 504 CA THR A 35 -12.711 2.625 -7.310 1.00 0.00 C ATOM 505 C THR A 35 -12.163 2.912 -5.924 1.00 0.00 C ATOM 506 O THR A 35 -12.478 2.221 -4.957 1.00 0.00 O ATOM 507 CB THR A 35 -14.235 2.537 -7.265 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.758 2.309 -8.555 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.830 3.828 -6.711 1.00 0.00 C ATOM 0 H THR A 35 -12.088 0.655 -7.062 1.00 0.00 H new ATOM 0 HA THR A 35 -12.436 3.431 -7.990 1.00 0.00 H new ATOM 0 HB THR A 35 -14.501 1.705 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.735 2.254 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.917 3.747 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.456 3.997 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.543 4.664 -7.349 1.00 0.00 H new ATOM 517 N ILE A 36 -11.335 3.950 -5.851 1.00 0.00 N ATOM 518 CA ILE A 36 -10.737 4.412 -4.613 1.00 0.00 C ATOM 519 C ILE A 36 -11.824 5.094 -3.794 1.00 0.00 C ATOM 520 O ILE A 36 -12.715 5.739 -4.341 1.00 0.00 O ATOM 521 CB ILE A 36 -9.556 5.340 -4.937 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.545 4.611 -5.832 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.815 5.759 -3.668 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.782 4.901 -7.312 1.00 0.00 C ATOM 0 H ILE A 36 -11.060 4.499 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.335 3.589 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.965 6.218 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.534 4.915 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.613 3.537 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.985 6.415 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.500 6.288 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.431 4.873 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.045 4.366 -7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.783 4.573 -7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.687 5.972 -7.493 1.00 0.00 H new ATOM 536 N HIS A 37 -11.733 4.938 -2.473 1.00 0.00 N ATOM 537 CA HIS A 37 -12.720 5.424 -1.522 1.00 0.00 C ATOM 538 C HIS A 37 -13.085 6.906 -1.701 1.00 0.00 C ATOM 539 O HIS A 37 -14.145 7.325 -1.244 1.00 0.00 O ATOM 540 CB HIS A 37 -12.186 5.115 -0.132 1.00 0.00 C ATOM 541 CG HIS A 37 -13.213 5.260 0.960 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.923 4.236 1.541 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.615 6.421 1.558 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.730 4.774 2.472 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.580 6.109 2.523 1.00 0.00 N ATOM 0 H HIS A 37 -10.950 4.458 -2.029 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.668 4.913 -1.694 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.798 4.096 -0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.347 5.778 0.080 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.850 3.246 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.250 7.411 1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.408 4.210 3.095 1.00 0.00 H new ATOM 553 N ASP A 38 -12.228 7.700 -2.357 1.00 0.00 N ATOM 554 CA ASP A 38 -12.531 9.097 -2.666 1.00 0.00 C ATOM 555 C ASP A 38 -11.917 9.551 -3.994 1.00 0.00 C ATOM 556 O ASP A 38 -12.308 10.592 -4.519 1.00 0.00 O ATOM 557 CB ASP A 38 -12.008 10.004 -1.555 1.00 0.00 C ATOM 558 CG ASP A 38 -12.827 9.899 -0.271 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.016 10.290 -0.308 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.255 9.428 0.735 1.00 0.00 O ATOM 0 H ASP A 38 -11.313 7.392 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.615 9.171 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.971 9.747 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.016 11.037 -1.902 1.00 0.00 H new ATOM 565 N GLY A 39 -10.963 8.794 -4.548 1.00 0.00 N ATOM 566 CA GLY A 39 -10.361 9.114 -5.838 1.00 0.00 C ATOM 567 C GLY A 39 -9.196 10.092 -5.742 1.00 0.00 C ATOM 568 O GLY A 39 -8.603 10.449 -6.756 1.00 0.00 O ATOM 0 H GLY A 39 -10.592 7.949 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.014 8.193 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.125 9.535 -6.492 1.00 0.00 H new ATOM 572 N ALA A 40 -8.882 10.517 -4.520 1.00 0.00 N ATOM 573 CA ALA A 40 -7.800 11.442 -4.210 1.00 0.00 C ATOM 574 C ALA A 40 -7.720 11.712 -2.705 1.00 0.00 C ATOM 575 O ALA A 40 -6.861 12.473 -2.262 1.00 0.00 O ATOM 576 CB ALA A 40 -8.012 12.762 -4.952 1.00 0.00 C ATOM 0 H ALA A 40 -9.394 10.215 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.864 10.985 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.199 13.448 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.029 12.577 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.960 13.204 -4.645 1.00 0.00 H new ATOM 582 N ALA A 41 -8.607 11.094 -1.914 1.00 0.00 N ATOM 583 CA ALA A 41 -8.640 11.294 -0.469 1.00 0.00 C ATOM 584 C ALA A 41 -8.757 9.965 0.280 1.00 0.00 C ATOM 585 O ALA A 41 -9.030 9.945 1.479 1.00 0.00 O ATOM 586 CB ALA A 41 -9.783 12.246 -0.113 1.00 0.00 C ATOM 0 H ALA A 41 -9.315 10.447 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.699 11.744 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.809 12.396 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.627 13.204 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.730 11.817 -0.442 1.00 0.00 H new ATOM 592 N GLY A 42 -8.547 8.856 -0.435 1.00 0.00 N ATOM 593 CA GLY A 42 -8.557 7.515 0.132 1.00 0.00 C ATOM 594 C GLY A 42 -7.181 6.876 -0.039 1.00 0.00 C ATOM 595 O GLY A 42 -6.964 5.732 0.358 1.00 0.00 O ATOM 0 H GLY A 42 -8.363 8.871 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.820 7.558 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.315 6.907 -0.361 1.00 0.00 H new ATOM 599 N VAL A 43 -6.251 7.627 -0.636 1.00 0.00 N ATOM 600 CA VAL A 43 -4.874 7.201 -0.810 1.00 0.00 C ATOM 601 C VAL A 43 -4.145 7.293 0.533 1.00 0.00 C ATOM 602 O VAL A 43 -4.574 8.023 1.426 1.00 0.00 O ATOM 603 CB VAL A 43 -4.205 8.102 -1.861 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.795 9.439 -1.243 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.993 7.389 -2.456 1.00 0.00 C ATOM 0 H VAL A 43 -6.442 8.555 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.833 6.168 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.920 8.306 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.324 10.062 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.678 9.946 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.091 9.263 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.522 8.031 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.277 7.166 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.313 6.460 -2.928 1.00 0.00 H new ATOM 615 N HIS A 44 -3.042 6.555 0.675 1.00 0.00 N ATOM 616 CA HIS A 44 -2.175 6.630 1.843 1.00 0.00 C ATOM 617 C HIS A 44 -0.753 6.258 1.440 1.00 0.00 C ATOM 618 O HIS A 44 -0.545 5.665 0.385 1.00 0.00 O ATOM 619 CB HIS A 44 -2.655 5.660 2.923 1.00 0.00 C ATOM 620 CG HIS A 44 -3.822 6.168 3.721 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.797 7.180 4.653 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.107 5.705 3.660 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.042 7.313 5.144 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.883 6.436 4.569 1.00 0.00 N ATOM 0 H HIS A 44 -2.727 5.884 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.201 7.646 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.932 4.716 2.453 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.828 5.448 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.463 4.911 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.328 8.029 5.900 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.880 6.326 4.756 1.00 0.00 H new ATOM 632 N PHE A 45 0.220 6.607 2.285 1.00 0.00 N ATOM 633 CA PHE A 45 1.626 6.315 2.060 1.00 0.00 C ATOM 634 C PHE A 45 2.327 6.143 3.406 1.00 0.00 C ATOM 635 O PHE A 45 1.753 6.461 4.446 1.00 0.00 O ATOM 636 CB PHE A 45 2.263 7.464 1.275 1.00 0.00 C ATOM 637 CG PHE A 45 1.690 7.647 -0.114 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.155 6.856 -1.174 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.691 8.604 -0.343 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.611 7.010 -2.457 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.149 8.759 -1.626 1.00 0.00 C ATOM 642 CZ PHE A 45 0.604 7.958 -2.683 1.00 0.00 C ATOM 0 H PHE A 45 0.044 7.108 3.156 1.00 0.00 H new ATOM 0 HA PHE A 45 1.727 5.394 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.134 8.390 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.335 7.286 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.933 6.127 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.339 9.222 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.968 6.398 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.620 9.497 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.179 8.071 -3.669 1.00 0.00 H new ATOM 652 N ILE A 46 3.566 5.643 3.391 1.00 0.00 N ATOM 653 CA ILE A 46 4.337 5.437 4.611 1.00 0.00 C ATOM 654 C ILE A 46 5.720 6.049 4.408 1.00 0.00 C ATOM 655 O ILE A 46 6.378 5.765 3.407 1.00 0.00 O ATOM 656 CB ILE A 46 4.420 3.943 4.929 1.00 0.00 C ATOM 657 CG1 ILE A 46 3.045 3.291 4.742 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.902 3.754 6.371 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.141 1.786 4.931 1.00 0.00 C ATOM 0 H ILE A 46 4.056 5.373 2.538 1.00 0.00 H new ATOM 0 HA ILE A 46 3.856 5.921 5.461 1.00 0.00 H new ATOM 0 HB ILE A 46 5.127 3.467 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.337 3.709 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.662 3.515 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.961 2.690 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.887 4.205 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.201 4.232 7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.156 1.339 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.833 1.371 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.503 1.568 5.936 1.00 0.00 H new ATOM 671 N TYR A 47 6.167 6.887 5.348 1.00 0.00 N ATOM 672 CA TYR A 47 7.399 7.647 5.180 1.00 0.00 C ATOM 673 C TYR A 47 7.996 8.089 6.514 1.00 0.00 C ATOM 674 O TYR A 47 7.454 7.795 7.577 1.00 0.00 O ATOM 675 CB TYR A 47 7.091 8.877 4.322 1.00 0.00 C ATOM 676 CG TYR A 47 6.115 9.841 4.957 1.00 0.00 C ATOM 677 CD1 TYR A 47 4.736 9.637 4.809 1.00 0.00 C ATOM 678 CD2 TYR A 47 6.590 10.936 5.692 1.00 0.00 C ATOM 679 CE1 TYR A 47 3.826 10.525 5.401 1.00 0.00 C ATOM 680 CE2 TYR A 47 5.687 11.830 6.287 1.00 0.00 C ATOM 681 CZ TYR A 47 4.300 11.626 6.144 1.00 0.00 C ATOM 682 OH TYR A 47 3.420 12.493 6.722 1.00 0.00 O ATOM 0 H TYR A 47 5.689 7.053 6.234 1.00 0.00 H new ATOM 0 HA TYR A 47 8.136 7.005 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.022 9.404 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.689 8.548 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.374 8.795 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.653 11.092 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.764 10.366 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.054 12.673 6.854 1.00 0.00 H new ATOM 0 HH TYR A 47 3.915 13.193 7.197 1.00 0.00 H new ATOM 692 N THR A 48 9.123 8.804 6.442 1.00 0.00 N ATOM 693 CA THR A 48 9.815 9.346 7.604 1.00 0.00 C ATOM 694 C THR A 48 10.331 10.747 7.304 1.00 0.00 C ATOM 695 O THR A 48 10.300 11.202 6.159 1.00 0.00 O ATOM 696 CB THR A 48 11.004 8.466 7.991 1.00 0.00 C ATOM 697 OG1 THR A 48 11.883 8.340 6.895 1.00 0.00 O ATOM 698 CG2 THR A 48 10.539 7.086 8.431 1.00 0.00 C ATOM 0 H THR A 48 9.583 9.023 5.558 1.00 0.00 H new ATOM 0 HA THR A 48 9.102 9.377 8.428 1.00 0.00 H new ATOM 0 HB THR A 48 11.522 8.940 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.768 8.065 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.404 6.480 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.880 7.182 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.000 6.606 7.614 1.00 0.00 H new ATOM 706 N ARG A 49 10.810 11.429 8.347 1.00 0.00 N ATOM 707 CA ARG A 49 11.343 12.777 8.241 1.00 0.00 C ATOM 708 C ARG A 49 12.588 12.833 7.357 1.00 0.00 C ATOM 709 O ARG A 49 12.959 13.906 6.885 1.00 0.00 O ATOM 710 CB ARG A 49 11.599 13.305 9.657 1.00 0.00 C ATOM 711 CG ARG A 49 12.720 12.580 10.411 1.00 0.00 C ATOM 712 CD ARG A 49 14.105 13.135 10.071 1.00 0.00 C ATOM 713 NE ARG A 49 15.147 12.465 10.858 1.00 0.00 N ATOM 714 CZ ARG A 49 16.452 12.732 10.754 1.00 0.00 C ATOM 715 NH1 ARG A 49 16.892 13.657 9.903 1.00 0.00 N ATOM 716 NH2 ARG A 49 17.328 12.070 11.504 1.00 0.00 N ATOM 0 H ARG A 49 10.836 11.052 9.294 1.00 0.00 H new ATOM 0 HA ARG A 49 10.617 13.422 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.845 14.365 9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.678 13.223 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.549 12.669 11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.688 11.517 10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 49 14.304 13.000 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.129 14.207 10.266 1.00 0.00 H new ATOM 0 HE ARG A 49 14.857 11.751 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.230 14.171 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.891 13.852 9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.004 11.358 12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.324 12.274 11.425 1.00 0.00 H new ATOM 730 N GLU A 50 13.234 11.685 7.131 1.00 0.00 N ATOM 731 CA GLU A 50 14.408 11.599 6.271 1.00 0.00 C ATOM 732 C GLU A 50 14.073 11.905 4.806 1.00 0.00 C ATOM 733 O GLU A 50 14.924 12.411 4.077 1.00 0.00 O ATOM 734 CB GLU A 50 15.033 10.213 6.426 1.00 0.00 C ATOM 735 CG GLU A 50 16.337 10.135 5.635 1.00 0.00 C ATOM 736 CD GLU A 50 17.196 8.953 6.081 1.00 0.00 C ATOM 737 OE1 GLU A 50 16.637 7.839 6.193 1.00 0.00 O ATOM 738 OE2 GLU A 50 18.407 9.171 6.309 1.00 0.00 O ATOM 0 H GLU A 50 12.955 10.793 7.540 1.00 0.00 H new ATOM 0 HA GLU A 50 15.127 12.358 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.224 10.007 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.338 9.451 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.113 10.042 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.897 11.061 5.763 1.00 0.00 H new ATOM 745 N GLY A 51 12.846 11.605 4.368 1.00 0.00 N ATOM 746 CA GLY A 51 12.372 12.013 3.050 1.00 0.00 C ATOM 747 C GLY A 51 12.624 10.974 1.957 1.00 0.00 C ATOM 748 O GLY A 51 13.033 11.339 0.855 1.00 0.00 O ATOM 0 H GLY A 51 12.163 11.078 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.303 12.217 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.861 12.947 2.771 1.00 0.00 H new ATOM 752 N ARG A 52 12.390 9.685 2.240 1.00 0.00 N ATOM 753 CA ARG A 52 12.648 8.613 1.284 1.00 0.00 C ATOM 754 C ARG A 52 11.652 7.462 1.444 1.00 0.00 C ATOM 755 O ARG A 52 11.967 6.317 1.129 1.00 0.00 O ATOM 756 CB ARG A 52 14.106 8.140 1.389 1.00 0.00 C ATOM 757 CG ARG A 52 14.626 7.975 2.822 1.00 0.00 C ATOM 758 CD ARG A 52 13.823 6.964 3.637 1.00 0.00 C ATOM 759 NE ARG A 52 14.454 6.741 4.941 1.00 0.00 N ATOM 760 CZ ARG A 52 13.961 5.962 5.906 1.00 0.00 C ATOM 761 NH1 ARG A 52 12.807 5.319 5.750 1.00 0.00 N ATOM 762 NH2 ARG A 52 14.639 5.830 7.041 1.00 0.00 N ATOM 0 H ARG A 52 12.019 9.363 3.134 1.00 0.00 H new ATOM 0 HA ARG A 52 12.501 9.008 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.202 7.186 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.743 8.853 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.669 7.660 2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.600 8.941 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.805 7.327 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.754 6.022 3.093 1.00 0.00 H new ATOM 0 HE ARG A 52 15.337 7.217 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.282 5.417 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.447 4.728 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.524 6.321 7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.274 5.238 7.787 1.00 0.00 H new ATOM 776 N GLN A 53 10.450 7.777 1.936 1.00 0.00 N ATOM 777 CA GLN A 53 9.401 6.806 2.220 1.00 0.00 C ATOM 778 C GLN A 53 9.903 5.686 3.137 1.00 0.00 C ATOM 779 O GLN A 53 11.009 5.763 3.668 1.00 0.00 O ATOM 780 CB GLN A 53 8.822 6.264 0.908 1.00 0.00 C ATOM 781 CG GLN A 53 8.352 7.394 -0.013 1.00 0.00 C ATOM 782 CD GLN A 53 7.369 8.321 0.685 1.00 0.00 C ATOM 783 OE1 GLN A 53 7.697 9.459 1.005 1.00 0.00 O ATOM 784 NE2 GLN A 53 6.152 7.842 0.927 1.00 0.00 N ATOM 0 H GLN A 53 10.178 8.736 2.151 1.00 0.00 H new ATOM 0 HA GLN A 53 8.599 7.307 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.577 5.667 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.985 5.600 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.214 7.968 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.883 6.968 -0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.913 6.891 0.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.457 8.426 1.393 1.00 0.00 H new ATOM 793 N SER A 54 9.095 4.639 3.327 1.00 0.00 N ATOM 794 CA SER A 54 9.481 3.511 4.168 1.00 0.00 C ATOM 795 C SER A 54 9.459 2.199 3.389 1.00 0.00 C ATOM 796 O SER A 54 9.947 1.184 3.885 1.00 0.00 O ATOM 797 CB SER A 54 8.568 3.436 5.392 1.00 0.00 C ATOM 798 OG SER A 54 8.656 4.640 6.127 1.00 0.00 O ATOM 0 H SER A 54 8.169 4.553 2.908 1.00 0.00 H new ATOM 0 HA SER A 54 10.506 3.670 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.538 3.264 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.855 2.593 6.021 1.00 0.00 H new ATOM 0 HG SER A 54 8.068 4.589 6.910 1.00 0.00 H new ATOM 804 N GLY A 55 8.900 2.211 2.174 1.00 0.00 N ATOM 805 CA GLY A 55 8.957 1.068 1.276 1.00 0.00 C ATOM 806 C GLY A 55 7.628 0.794 0.582 1.00 0.00 C ATOM 807 O GLY A 55 7.613 0.199 -0.496 1.00 0.00 O ATOM 0 H GLY A 55 8.399 3.013 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.726 1.242 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.256 0.184 1.839 1.00 0.00 H new ATOM 811 N GLU A 56 6.508 1.215 1.177 1.00 0.00 N ATOM 812 CA GLU A 56 5.202 0.926 0.609 1.00 0.00 C ATOM 813 C GLU A 56 4.119 1.902 1.079 1.00 0.00 C ATOM 814 O GLU A 56 4.400 2.904 1.739 1.00 0.00 O ATOM 815 CB GLU A 56 4.823 -0.532 0.895 1.00 0.00 C ATOM 816 CG GLU A 56 4.775 -0.897 2.376 1.00 0.00 C ATOM 817 CD GLU A 56 6.169 -1.070 2.976 1.00 0.00 C ATOM 818 OE1 GLU A 56 6.855 -2.030 2.556 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.535 -0.248 3.845 1.00 0.00 O ATOM 0 H GLU A 56 6.486 1.752 2.044 1.00 0.00 H new ATOM 0 HA GLU A 56 5.270 1.066 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.847 -0.733 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.540 -1.185 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.241 -0.120 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.210 -1.821 2.502 1.00 0.00 H new ATOM 826 N ALA A 57 2.871 1.586 0.721 1.00 0.00 N ATOM 827 CA ALA A 57 1.714 2.444 0.893 1.00 0.00 C ATOM 828 C ALA A 57 0.427 1.616 0.983 1.00 0.00 C ATOM 829 O ALA A 57 0.475 0.387 0.985 1.00 0.00 O ATOM 830 CB ALA A 57 1.663 3.354 -0.334 1.00 0.00 C ATOM 0 H ALA A 57 2.639 0.692 0.289 1.00 0.00 H new ATOM 0 HA ALA A 57 1.795 3.018 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.806 4.023 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.579 3.942 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.567 2.746 -1.234 1.00 0.00 H new ATOM 836 N PHE A 58 -0.725 2.294 1.056 1.00 0.00 N ATOM 837 CA PHE A 58 -2.033 1.645 1.049 1.00 0.00 C ATOM 838 C PHE A 58 -3.018 2.440 0.194 1.00 0.00 C ATOM 839 O PHE A 58 -2.745 3.579 -0.185 1.00 0.00 O ATOM 840 CB PHE A 58 -2.612 1.561 2.462 1.00 0.00 C ATOM 841 CG PHE A 58 -1.766 0.876 3.505 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.833 -0.513 3.687 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.917 1.648 4.305 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.073 -1.123 4.698 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.171 1.042 5.320 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.248 -0.344 5.521 1.00 0.00 C ATOM 0 H PHE A 58 -0.772 3.311 1.122 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.892 0.643 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.819 2.575 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.569 1.042 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.468 -1.112 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.838 2.712 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.124 -2.192 4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.467 1.643 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.327 -0.810 6.308 1.00 0.00 H new ATOM 856 N VAL A 59 -4.169 1.832 -0.105 1.00 0.00 N ATOM 857 CA VAL A 59 -5.243 2.467 -0.855 1.00 0.00 C ATOM 858 C VAL A 59 -6.586 1.945 -0.354 1.00 0.00 C ATOM 859 O VAL A 59 -6.817 0.737 -0.340 1.00 0.00 O ATOM 860 CB VAL A 59 -5.103 2.145 -2.350 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.197 2.857 -3.143 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.753 2.590 -2.910 1.00 0.00 C ATOM 0 H VAL A 59 -4.379 0.873 0.173 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.187 3.546 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.188 1.063 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.090 2.623 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.175 2.523 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.109 3.934 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.699 2.342 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.644 3.667 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.952 2.079 -2.377 1.00 0.00 H new ATOM 872 N GLU A 60 -7.477 2.851 0.057 1.00 0.00 N ATOM 873 CA GLU A 60 -8.831 2.482 0.440 1.00 0.00 C ATOM 874 C GLU A 60 -9.701 2.423 -0.813 1.00 0.00 C ATOM 875 O GLU A 60 -9.452 3.147 -1.775 1.00 0.00 O ATOM 876 CB GLU A 60 -9.411 3.526 1.395 1.00 0.00 C ATOM 877 CG GLU A 60 -8.627 3.606 2.705 1.00 0.00 C ATOM 878 CD GLU A 60 -9.297 4.594 3.659 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.190 5.814 3.400 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.912 4.122 4.641 1.00 0.00 O ATOM 0 H GLU A 60 -7.278 3.849 0.131 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.811 1.512 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.406 4.502 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.451 3.282 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.575 2.620 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.602 3.919 2.506 1.00 0.00 H new ATOM 887 N LEU A 61 -10.725 1.565 -0.812 1.00 0.00 N ATOM 888 CA LEU A 61 -11.613 1.426 -1.959 1.00 0.00 C ATOM 889 C LEU A 61 -13.074 1.572 -1.546 1.00 0.00 C ATOM 890 O LEU A 61 -13.378 1.890 -0.395 1.00 0.00 O ATOM 891 CB LEU A 61 -11.403 0.069 -2.631 1.00 0.00 C ATOM 892 CG LEU A 61 -9.923 -0.272 -2.838 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.795 -1.760 -3.126 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.355 0.504 -4.025 1.00 0.00 C ATOM 0 H LEU A 61 -10.956 0.957 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.372 2.221 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.868 -0.707 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.910 0.065 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.371 -0.003 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.745 -2.013 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.189 -2.329 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.359 -2.006 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.303 0.249 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.907 0.244 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.448 1.574 -3.839 1.00 0.00 H new ATOM 906 N GLY A 62 -13.980 1.338 -2.498 1.00 0.00 N ATOM 907 CA GLY A 62 -15.401 1.539 -2.287 1.00 0.00 C ATOM 908 C GLY A 62 -16.162 0.252 -1.977 1.00 0.00 C ATOM 909 O GLY A 62 -17.120 0.292 -1.204 1.00 0.00 O ATOM 0 H GLY A 62 -13.742 1.005 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.542 2.241 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.830 1.999 -3.177 1.00 0.00 H new ATOM 913 N SER A 63 -15.756 -0.882 -2.561 1.00 0.00 N ATOM 914 CA SER A 63 -16.477 -2.138 -2.382 1.00 0.00 C ATOM 915 C SER A 63 -15.553 -3.348 -2.503 1.00 0.00 C ATOM 916 O SER A 63 -14.390 -3.222 -2.887 1.00 0.00 O ATOM 917 CB SER A 63 -17.570 -2.255 -3.449 1.00 0.00 C ATOM 918 OG SER A 63 -18.512 -1.210 -3.322 1.00 0.00 O ATOM 0 H SER A 63 -14.933 -0.951 -3.160 1.00 0.00 H new ATOM 0 HA SER A 63 -16.907 -2.129 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.120 -2.226 -4.441 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.073 -3.217 -3.356 1.00 0.00 H new ATOM 0 HG SER A 63 -19.200 -1.303 -4.014 1.00 0.00 H new ATOM 924 N GLU A 64 -16.083 -4.529 -2.169 1.00 0.00 N ATOM 925 CA GLU A 64 -15.362 -5.788 -2.287 1.00 0.00 C ATOM 926 C GLU A 64 -14.940 -6.040 -3.733 1.00 0.00 C ATOM 927 O GLU A 64 -13.925 -6.686 -3.986 1.00 0.00 O ATOM 928 CB GLU A 64 -16.277 -6.920 -1.815 1.00 0.00 C ATOM 929 CG GLU A 64 -15.601 -8.282 -1.979 1.00 0.00 C ATOM 930 CD GLU A 64 -16.489 -9.398 -1.432 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.429 -9.634 -0.205 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.219 -10.007 -2.245 1.00 0.00 O ATOM 0 H GLU A 64 -17.031 -4.632 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.462 -5.744 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.541 -6.766 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.206 -6.901 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.389 -8.463 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.644 -8.283 -1.457 1.00 0.00 H new ATOM 939 N ASP A 65 -15.711 -5.534 -4.695 1.00 0.00 N ATOM 940 CA ASP A 65 -15.388 -5.754 -6.092 1.00 0.00 C ATOM 941 C ASP A 65 -14.121 -4.991 -6.479 1.00 0.00 C ATOM 942 O ASP A 65 -13.419 -5.388 -7.405 1.00 0.00 O ATOM 943 CB ASP A 65 -16.574 -5.314 -6.949 1.00 0.00 C ATOM 944 CG ASP A 65 -16.388 -5.691 -8.416 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.170 -6.894 -8.680 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.466 -4.773 -9.262 1.00 0.00 O ATOM 0 H ASP A 65 -16.550 -4.978 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.196 -6.814 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.486 -5.774 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.702 -4.235 -6.865 1.00 0.00 H new ATOM 951 N ASP A 66 -13.824 -3.894 -5.775 1.00 0.00 N ATOM 952 CA ASP A 66 -12.654 -3.086 -6.065 1.00 0.00 C ATOM 953 C ASP A 66 -11.404 -3.714 -5.462 1.00 0.00 C ATOM 954 O ASP A 66 -10.337 -3.655 -6.069 1.00 0.00 O ATOM 955 CB ASP A 66 -12.867 -1.689 -5.485 1.00 0.00 C ATOM 956 CG ASP A 66 -14.064 -0.998 -6.130 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.076 -0.907 -7.377 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.955 -0.567 -5.367 1.00 0.00 O ATOM 0 H ASP A 66 -14.387 -3.551 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.516 -3.026 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.022 -1.760 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.971 -1.088 -5.639 1.00 0.00 H new ATOM 963 N VAL A 67 -11.514 -4.321 -4.273 1.00 0.00 N ATOM 964 CA VAL A 67 -10.358 -4.963 -3.663 1.00 0.00 C ATOM 965 C VAL A 67 -9.982 -6.192 -4.473 1.00 0.00 C ATOM 966 O VAL A 67 -8.799 -6.461 -4.653 1.00 0.00 O ATOM 967 CB VAL A 67 -10.598 -5.284 -2.181 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.004 -5.779 -1.882 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.614 -6.327 -1.658 1.00 0.00 C ATOM 0 H VAL A 67 -12.375 -4.377 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.516 -4.271 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.450 -4.331 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.098 -5.985 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.727 -5.016 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.196 -6.692 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.819 -6.525 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.724 -7.249 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.596 -5.953 -1.765 1.00 0.00 H new ATOM 979 N LYS A 68 -10.965 -6.944 -4.969 1.00 0.00 N ATOM 980 CA LYS A 68 -10.676 -8.085 -5.817 1.00 0.00 C ATOM 981 C LYS A 68 -9.948 -7.636 -7.081 1.00 0.00 C ATOM 982 O LYS A 68 -8.954 -8.248 -7.469 1.00 0.00 O ATOM 983 CB LYS A 68 -11.988 -8.787 -6.160 1.00 0.00 C ATOM 984 CG LYS A 68 -12.513 -9.539 -4.939 1.00 0.00 C ATOM 985 CD LYS A 68 -13.862 -10.177 -5.275 1.00 0.00 C ATOM 986 CE LYS A 68 -14.387 -10.991 -4.093 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.536 -12.165 -3.816 1.00 0.00 N ATOM 0 H LYS A 68 -11.957 -6.781 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.023 -8.782 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.725 -8.056 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.833 -9.481 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.801 -10.307 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.621 -8.856 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.581 -9.401 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.757 -10.821 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.433 -10.358 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.405 -11.321 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.031 -12.807 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.332 -12.664 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.644 -11.853 -3.382 1.00 0.00 H new ATOM 1001 N MET A 69 -10.433 -6.569 -7.726 1.00 0.00 N ATOM 1002 CA MET A 69 -9.837 -6.079 -8.961 1.00 0.00 C ATOM 1003 C MET A 69 -8.443 -5.496 -8.734 1.00 0.00 C ATOM 1004 O MET A 69 -7.624 -5.507 -9.652 1.00 0.00 O ATOM 1005 CB MET A 69 -10.755 -5.032 -9.591 1.00 0.00 C ATOM 1006 CG MET A 69 -11.919 -5.732 -10.294 1.00 0.00 C ATOM 1007 SD MET A 69 -12.907 -4.662 -11.372 1.00 0.00 S ATOM 1008 CE MET A 69 -13.417 -3.406 -10.175 1.00 0.00 C ATOM 0 H MET A 69 -11.239 -6.031 -7.407 1.00 0.00 H new ATOM 0 HA MET A 69 -9.724 -6.925 -9.638 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.133 -4.356 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.197 -4.425 -10.304 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.524 -6.557 -10.887 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.573 -6.167 -9.538 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.123 -2.721 -10.645 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.893 -3.889 -9.321 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.543 -2.850 -9.836 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.154 -4.988 -7.533 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.831 -4.471 -7.217 1.00 0.00 C ATOM 1020 C ALA A 70 -5.817 -5.609 -7.093 1.00 0.00 C ATOM 1021 O ALA A 70 -4.634 -5.421 -7.367 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.912 -3.680 -5.912 1.00 0.00 C ATOM 0 H ALA A 70 -8.824 -4.926 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.495 -3.818 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.926 -3.287 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.613 -2.854 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.254 -4.335 -5.110 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.278 -6.794 -6.680 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.433 -7.967 -6.525 1.00 0.00 C ATOM 1030 C LEU A 71 -5.175 -8.657 -7.867 1.00 0.00 C ATOM 1031 O LEU A 71 -4.298 -9.511 -7.961 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.111 -8.922 -5.542 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.291 -8.242 -4.181 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.204 -9.082 -3.295 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.954 -8.030 -3.485 1.00 0.00 C ATOM 0 H LEU A 71 -7.256 -6.960 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.461 -7.662 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.080 -9.230 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.511 -9.825 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.744 -7.266 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.326 -8.591 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.177 -9.189 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.762 -10.067 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.118 -7.546 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.468 -8.993 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.317 -7.399 -4.105 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.930 -8.293 -8.909 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.717 -8.828 -10.256 1.00 0.00 C ATOM 1049 C LYS A 72 -4.434 -8.323 -10.920 1.00 0.00 C ATOM 1050 O LYS A 72 -4.099 -8.784 -12.011 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.904 -8.491 -11.158 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.217 -9.066 -10.629 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.177 -10.590 -10.502 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.466 -11.064 -9.836 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.504 -12.534 -9.731 1.00 0.00 N ATOM 0 H LYS A 72 -6.699 -7.626 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.618 -9.907 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.994 -7.408 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.718 -8.879 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.436 -8.629 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.030 -8.781 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.070 -11.048 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.313 -10.897 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.548 -10.624 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.324 -10.716 -10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.391 -12.827 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.450 -12.951 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.698 -12.862 -9.162 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.713 -7.391 -10.289 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.458 -6.866 -10.821 1.00 0.00 C ATOM 1071 C LYS A 73 -1.388 -6.844 -9.735 1.00 0.00 C ATOM 1072 O LYS A 73 -0.446 -6.057 -9.785 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.668 -5.486 -11.448 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.051 -4.417 -10.427 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.561 -4.261 -10.257 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.205 -3.791 -11.564 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.662 -3.612 -11.423 1.00 0.00 N ATOM 0 H LYS A 73 -3.985 -6.981 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.108 -7.528 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.754 -5.182 -11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.449 -5.553 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.607 -4.668 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.626 -3.461 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.998 -5.212 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.771 -3.544 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.752 -2.850 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.002 -4.518 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.085 -3.460 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.076 -4.462 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.854 -2.788 -10.819 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.568 -7.728 -8.756 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.738 -7.880 -7.570 1.00 0.00 C ATOM 1093 C ASP A 74 0.779 -7.911 -7.781 1.00 0.00 C ATOM 1094 O ASP A 74 1.501 -7.833 -6.790 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.178 -9.142 -6.835 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.771 -10.406 -7.594 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.432 -10.709 -8.613 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.198 -11.059 -7.149 1.00 0.00 O ATOM 0 H ASP A 74 -2.341 -8.393 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.899 -6.969 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.736 -9.157 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.260 -9.129 -6.703 1.00 0.00 H new ATOM 1103 N ARG A 75 1.287 -8.019 -9.015 1.00 0.00 N ATOM 1104 CA ARG A 75 2.721 -7.940 -9.257 1.00 0.00 C ATOM 1105 C ARG A 75 3.036 -7.424 -10.665 1.00 0.00 C ATOM 1106 O ARG A 75 4.069 -7.779 -11.233 1.00 0.00 O ATOM 1107 CB ARG A 75 3.343 -9.309 -9.007 1.00 0.00 C ATOM 1108 CG ARG A 75 4.816 -9.200 -8.639 1.00 0.00 C ATOM 1109 CD ARG A 75 5.355 -10.623 -8.572 1.00 0.00 C ATOM 1110 NE ARG A 75 6.814 -10.638 -8.424 1.00 0.00 N ATOM 1111 CZ ARG A 75 7.541 -11.750 -8.278 1.00 0.00 C ATOM 1112 NH1 ARG A 75 6.962 -12.948 -8.273 1.00 0.00 N ATOM 1113 NH2 ARG A 75 8.861 -11.665 -8.136 1.00 0.00 N ATOM 0 H ARG A 75 0.724 -8.161 -9.854 1.00 0.00 H new ATOM 0 HA ARG A 75 3.156 -7.218 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.804 -9.813 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.236 -9.926 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.358 -8.615 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.940 -8.694 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.898 -11.147 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.074 -11.163 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 75 7.305 -9.744 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.951 -13.026 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.529 -13.788 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.317 -10.752 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.418 -12.512 -8.024 1.00 0.00 H new ATOM 1127 N GLU A 76 2.161 -6.590 -11.240 1.00 0.00 N ATOM 1128 CA GLU A 76 2.418 -5.984 -12.543 1.00 0.00 C ATOM 1129 C GLU A 76 3.614 -5.035 -12.480 1.00 0.00 C ATOM 1130 O GLU A 76 4.375 -5.039 -11.514 1.00 0.00 O ATOM 1131 CB GLU A 76 1.182 -5.261 -13.077 1.00 0.00 C ATOM 1132 CG GLU A 76 0.050 -6.242 -13.343 1.00 0.00 C ATOM 1133 CD GLU A 76 0.486 -7.408 -14.230 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.834 -7.144 -15.402 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.466 -8.555 -13.730 1.00 0.00 O ATOM 0 H GLU A 76 1.271 -6.322 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 76 2.658 -6.790 -13.237 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.856 -4.510 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.434 -4.733 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.322 -6.630 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.778 -5.717 -13.819 1.00 0.00 H new ATOM 1142 N SER A 77 3.779 -4.214 -13.519 1.00 0.00 N ATOM 1143 CA SER A 77 5.013 -3.464 -13.708 1.00 0.00 C ATOM 1144 C SER A 77 4.816 -2.021 -14.168 1.00 0.00 C ATOM 1145 O SER A 77 5.804 -1.350 -14.457 1.00 0.00 O ATOM 1146 CB SER A 77 5.852 -4.209 -14.749 1.00 0.00 C ATOM 1147 OG SER A 77 6.124 -5.524 -14.312 1.00 0.00 O ATOM 0 H SER A 77 3.073 -4.055 -14.238 1.00 0.00 H new ATOM 0 HA SER A 77 5.502 -3.399 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.321 -4.238 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.787 -3.676 -14.922 1.00 0.00 H new ATOM 0 HG SER A 77 7.002 -5.549 -13.878 1.00 0.00 H new ATOM 1153 N MET A 78 3.573 -1.528 -14.246 1.00 0.00 N ATOM 1154 CA MET A 78 3.255 -0.232 -14.854 1.00 0.00 C ATOM 1155 C MET A 78 3.837 -0.084 -16.270 1.00 0.00 C ATOM 1156 O MET A 78 3.705 0.976 -16.878 1.00 0.00 O ATOM 1157 CB MET A 78 3.706 0.926 -13.951 1.00 0.00 C ATOM 1158 CG MET A 78 2.735 1.193 -12.800 1.00 0.00 C ATOM 1159 SD MET A 78 3.284 2.535 -11.708 1.00 0.00 S ATOM 1160 CE MET A 78 1.761 2.844 -10.774 1.00 0.00 C ATOM 0 H MET A 78 2.756 -2.021 -13.886 1.00 0.00 H new ATOM 0 HA MET A 78 2.170 -0.191 -14.954 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.692 0.701 -13.544 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.808 1.830 -14.551 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.755 1.442 -13.208 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.614 0.282 -12.215 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.990 3.442 -9.892 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.051 3.382 -11.403 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.325 1.894 -10.465 1.00 0.00 H new ATOM 1170 N GLY A 79 4.476 -1.133 -16.800 1.00 0.00 N ATOM 1171 CA GLY A 79 5.034 -1.149 -18.142 1.00 0.00 C ATOM 1172 C GLY A 79 6.564 -1.128 -18.159 1.00 0.00 C ATOM 1173 O GLY A 79 7.154 -1.437 -19.194 1.00 0.00 O ATOM 0 H GLY A 79 4.618 -2.007 -16.293 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.683 -2.040 -18.664 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.659 -0.288 -18.695 1.00 0.00 H new ATOM 1177 N HIS A 80 7.218 -0.772 -17.045 1.00 0.00 N ATOM 1178 CA HIS A 80 8.667 -0.594 -17.036 1.00 0.00 C ATOM 1179 C HIS A 80 9.337 -0.921 -15.694 1.00 0.00 C ATOM 1180 O HIS A 80 10.540 -0.700 -15.559 1.00 0.00 O ATOM 1181 CB HIS A 80 8.982 0.861 -17.400 1.00 0.00 C ATOM 1182 CG HIS A 80 8.473 1.277 -18.755 1.00 0.00 C ATOM 1183 ND1 HIS A 80 7.398 2.099 -19.007 1.00 0.00 N ATOM 1184 CD2 HIS A 80 8.993 0.909 -19.967 1.00 0.00 C ATOM 1185 CE1 HIS A 80 7.280 2.220 -20.340 1.00 0.00 C ATOM 1186 NE2 HIS A 80 8.231 1.514 -20.974 1.00 0.00 N ATOM 0 H HIS A 80 6.766 -0.604 -16.146 1.00 0.00 H new ATOM 0 HA HIS A 80 9.070 -1.301 -17.761 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.549 1.516 -16.644 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.062 1.007 -17.368 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.845 0.263 -20.120 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.521 2.807 -20.836 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.369 1.435 -21.981 1.00 0.00 H new ATOM 1194 N ARG A 81 8.602 -1.438 -14.702 1.00 0.00 N ATOM 1195 CA ARG A 81 9.171 -1.696 -13.382 1.00 0.00 C ATOM 1196 C ARG A 81 8.592 -2.971 -12.759 1.00 0.00 C ATOM 1197 O ARG A 81 8.581 -4.017 -13.401 1.00 0.00 O ATOM 1198 CB ARG A 81 9.007 -0.433 -12.517 1.00 0.00 C ATOM 1199 CG ARG A 81 9.712 -0.469 -11.151 1.00 0.00 C ATOM 1200 CD ARG A 81 11.094 -1.123 -11.197 1.00 0.00 C ATOM 1201 NE ARG A 81 11.616 -1.337 -9.841 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.914 -1.413 -9.534 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.849 -1.283 -10.473 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.281 -1.622 -8.274 1.00 0.00 N ATOM 0 H ARG A 81 7.616 -1.684 -14.792 1.00 0.00 H new ATOM 0 HA ARG A 81 10.239 -1.898 -13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.384 0.422 -13.078 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.943 -0.262 -12.353 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.813 0.549 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.086 -1.010 -10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.033 -2.076 -11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.781 -0.492 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 81 10.942 -1.434 -9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.578 -1.123 -11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.836 -1.344 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.573 -1.724 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.271 -1.681 -8.034 1.00 0.00 H new ATOM 1218 N TYR A 82 8.116 -2.879 -11.516 1.00 0.00 N ATOM 1219 CA TYR A 82 7.659 -3.990 -10.696 1.00 0.00 C ATOM 1220 C TYR A 82 6.883 -3.372 -9.546 1.00 0.00 C ATOM 1221 O TYR A 82 7.407 -2.564 -8.781 1.00 0.00 O ATOM 1222 CB TYR A 82 8.899 -4.764 -10.236 1.00 0.00 C ATOM 1223 CG TYR A 82 8.794 -5.831 -9.159 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.596 -6.479 -8.786 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.996 -6.173 -8.516 1.00 0.00 C ATOM 1226 CE1 TYR A 82 7.624 -7.434 -7.757 1.00 0.00 C ATOM 1227 CE2 TYR A 82 10.027 -7.146 -7.513 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.835 -7.784 -7.127 1.00 0.00 C ATOM 1229 OH TYR A 82 8.856 -8.734 -6.150 1.00 0.00 O ATOM 0 H TYR A 82 8.037 -1.983 -11.036 1.00 0.00 H new ATOM 0 HA TYR A 82 7.011 -4.694 -11.218 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.325 -5.241 -11.119 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.625 -4.029 -9.889 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.669 -6.243 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.911 -5.676 -8.802 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.705 -7.907 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.961 -7.406 -7.037 1.00 0.00 H new ATOM 0 HH TYR A 82 8.174 -8.527 -5.477 1.00 0.00 H new ATOM 1239 N ILE A 83 5.617 -3.762 -9.434 1.00 0.00 N ATOM 1240 CA ILE A 83 4.691 -3.205 -8.472 1.00 0.00 C ATOM 1241 C ILE A 83 4.151 -4.361 -7.645 1.00 0.00 C ATOM 1242 O ILE A 83 4.379 -5.518 -7.987 1.00 0.00 O ATOM 1243 CB ILE A 83 3.556 -2.475 -9.212 1.00 0.00 C ATOM 1244 CG1 ILE A 83 4.063 -1.617 -10.381 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.749 -1.597 -8.250 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.949 -0.448 -9.951 1.00 0.00 C ATOM 0 H ILE A 83 5.205 -4.487 -10.022 1.00 0.00 H new ATOM 0 HA ILE A 83 5.180 -2.480 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 83 2.915 -3.254 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.623 -2.251 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.207 -1.228 -10.932 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.953 -1.092 -8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.313 -2.219 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.406 -0.854 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.267 0.110 -10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.387 0.210 -9.288 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.825 -0.829 -9.427 1.00 0.00 H new ATOM 1258 N GLU A 84 3.439 -4.065 -6.561 1.00 0.00 N ATOM 1259 CA GLU A 84 2.835 -5.096 -5.740 1.00 0.00 C ATOM 1260 C GLU A 84 1.536 -4.588 -5.129 1.00 0.00 C ATOM 1261 O GLU A 84 1.420 -3.410 -4.797 1.00 0.00 O ATOM 1262 CB GLU A 84 3.822 -5.504 -4.647 1.00 0.00 C ATOM 1263 CG GLU A 84 4.596 -6.757 -5.051 1.00 0.00 C ATOM 1264 CD GLU A 84 5.473 -7.261 -3.903 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.011 -7.209 -2.742 1.00 0.00 O ATOM 1266 OE2 GLU A 84 6.605 -7.696 -4.203 1.00 0.00 O ATOM 0 H GLU A 84 3.269 -3.114 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 84 2.601 -5.965 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.518 -4.687 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.285 -5.688 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.897 -7.539 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.219 -6.539 -5.919 1.00 0.00 H new ATOM 1273 N VAL A 85 0.559 -5.488 -4.981 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.733 -5.171 -4.386 1.00 0.00 C ATOM 1275 C VAL A 85 -1.199 -6.366 -3.580 1.00 0.00 C ATOM 1276 O VAL A 85 -1.272 -7.474 -4.105 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.801 -4.883 -5.445 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.957 -4.113 -4.808 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.239 -4.075 -6.605 1.00 0.00 C ATOM 0 H VAL A 85 0.648 -6.461 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.604 -4.282 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.151 -5.839 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.717 -3.908 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.393 -4.709 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.587 -3.172 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.027 -3.891 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.858 -3.123 -6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.429 -4.631 -7.077 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.511 -6.147 -2.306 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.887 -7.228 -1.408 1.00 0.00 C ATOM 1291 C PHE A 86 -3.135 -6.815 -0.643 1.00 0.00 C ATOM 1292 O PHE A 86 -3.383 -5.626 -0.449 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.708 -7.536 -0.482 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.818 -8.809 0.328 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.411 -8.766 1.594 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -0.328 -10.027 -0.167 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.527 -9.929 2.363 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -0.455 -11.196 0.594 1.00 0.00 C ATOM 1299 CZ PHE A 86 -1.055 -11.150 1.860 1.00 0.00 C ATOM 0 H PHE A 86 -1.510 -5.224 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.120 -8.140 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.198 -7.589 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.584 -6.700 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.782 -7.828 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.148 -10.063 -1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.979 -9.887 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.090 -12.135 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.153 -12.052 2.446 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.931 -7.789 -0.203 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.194 -7.498 0.447 1.00 0.00 C ATOM 1311 C LYS A 87 -4.949 -6.919 1.838 1.00 0.00 C ATOM 1312 O LYS A 87 -3.909 -7.163 2.445 1.00 0.00 O ATOM 1313 CB LYS A 87 -6.024 -8.780 0.484 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.491 -8.444 0.729 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.340 -9.714 0.755 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.802 -9.339 0.990 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.637 -10.541 1.174 1.00 0.00 N ATOM 0 H LYS A 87 -3.718 -8.783 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.751 -6.744 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.918 -9.319 -0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.657 -9.438 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.594 -7.912 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.852 -7.776 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.238 -10.253 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.992 -10.381 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.880 -8.701 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.173 -8.761 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.638 -10.291 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.366 -11.262 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.496 -10.918 2.133 1.00 0.00 H new ATOM 1331 N SER A 88 -5.907 -6.148 2.348 1.00 0.00 N ATOM 1332 CA SER A 88 -5.787 -5.525 3.659 1.00 0.00 C ATOM 1333 C SER A 88 -7.127 -5.530 4.389 1.00 0.00 C ATOM 1334 O SER A 88 -8.125 -6.046 3.883 1.00 0.00 O ATOM 1335 CB SER A 88 -5.240 -4.104 3.495 1.00 0.00 C ATOM 1336 OG SER A 88 -4.943 -3.540 4.757 1.00 0.00 O ATOM 0 H SER A 88 -6.782 -5.940 1.866 1.00 0.00 H new ATOM 0 HA SER A 88 -5.090 -6.099 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.342 -4.123 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.971 -3.484 2.976 1.00 0.00 H new ATOM 0 HG SER A 88 -4.593 -2.633 4.636 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.146 -4.951 5.589 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.313 -4.938 6.457 1.00 0.00 C ATOM 1344 C HIS A 89 -8.403 -3.631 7.247 1.00 0.00 C ATOM 1345 O HIS A 89 -9.225 -3.514 8.153 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.244 -6.154 7.387 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.916 -6.283 8.088 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.606 -5.829 9.348 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.790 -6.875 7.581 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.314 -6.127 9.584 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.773 -6.773 8.536 1.00 0.00 N ATOM 0 H HIS A 89 -6.338 -4.472 5.987 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.218 -4.998 5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.036 -6.081 8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.433 -7.058 6.809 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.702 -7.341 6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.784 -5.880 10.492 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.817 -7.118 8.454 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.555 -2.655 6.898 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.589 -1.286 7.402 1.00 0.00 C ATOM 1361 C ARG A 90 -7.028 -1.146 8.817 1.00 0.00 C ATOM 1362 O ARG A 90 -6.578 -0.064 9.186 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.020 -0.742 7.310 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.023 0.784 7.276 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.454 1.303 7.149 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.466 2.758 6.967 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.609 3.654 7.947 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.763 3.272 9.213 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.597 4.949 7.651 1.00 0.00 N ATOM 0 H ARG A 90 -6.799 -2.809 6.231 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.931 -0.689 6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.504 -1.130 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.602 -1.092 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.565 1.177 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.424 1.138 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.946 0.822 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.022 1.039 8.041 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.357 3.114 6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.773 2.280 9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.871 3.972 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.479 5.250 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.705 5.642 8.391 1.00 0.00 H new ATOM 1383 N THR A 91 -7.041 -2.216 9.616 1.00 0.00 N ATOM 1384 CA THR A 91 -6.461 -2.163 10.952 1.00 0.00 C ATOM 1385 C THR A 91 -4.941 -2.078 10.850 1.00 0.00 C ATOM 1386 O THR A 91 -4.310 -1.342 11.606 1.00 0.00 O ATOM 1387 CB THR A 91 -6.858 -3.407 11.745 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.257 -3.586 11.701 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.411 -3.284 13.199 1.00 0.00 C ATOM 0 H THR A 91 -7.443 -3.118 9.361 1.00 0.00 H new ATOM 0 HA THR A 91 -6.837 -1.280 11.468 1.00 0.00 H new ATOM 0 HB THR A 91 -6.366 -4.268 11.294 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.501 -4.387 12.211 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.703 -4.180 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.327 -3.172 13.238 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.883 -2.412 13.652 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.351 -2.828 9.915 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.919 -2.755 9.661 1.00 0.00 C ATOM 1399 C GLU A 92 -2.577 -1.401 9.066 1.00 0.00 C ATOM 1400 O GLU A 92 -1.525 -0.851 9.373 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.517 -3.861 8.685 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.997 -3.907 8.538 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.555 -5.018 7.588 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.863 -6.194 7.882 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.091 -4.684 6.570 1.00 0.00 O ATOM 0 H GLU A 92 -4.849 -3.493 9.323 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.377 -2.885 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.885 -4.823 9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.979 -3.684 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.638 -2.947 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.541 -4.062 9.516 1.00 0.00 H new ATOM 1412 N MET A 93 -3.458 -0.864 8.220 1.00 0.00 N ATOM 1413 CA MET A 93 -3.217 0.425 7.602 1.00 0.00 C ATOM 1414 C MET A 93 -3.033 1.472 8.693 1.00 0.00 C ATOM 1415 O MET A 93 -2.086 2.250 8.650 1.00 0.00 O ATOM 1416 CB MET A 93 -4.401 0.769 6.696 1.00 0.00 C ATOM 1417 CG MET A 93 -4.125 2.052 5.914 1.00 0.00 C ATOM 1418 SD MET A 93 -5.510 2.589 4.881 1.00 0.00 S ATOM 1419 CE MET A 93 -6.618 3.185 6.185 1.00 0.00 C ATOM 0 H MET A 93 -4.338 -1.305 7.953 1.00 0.00 H new ATOM 0 HA MET A 93 -2.312 0.400 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.587 -0.052 6.004 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.302 0.890 7.297 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.877 2.848 6.616 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.250 1.900 5.282 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.622 3.309 5.780 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.642 2.462 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.257 4.143 6.560 1.00 0.00 H new ATOM 1429 N ASP A 94 -3.940 1.492 9.674 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.895 2.453 10.764 1.00 0.00 C ATOM 1431 C ASP A 94 -2.697 2.201 11.678 1.00 0.00 C ATOM 1432 O ASP A 94 -2.154 3.131 12.272 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.181 2.318 11.570 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.327 3.449 12.584 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.519 4.603 12.139 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.246 3.152 13.797 1.00 0.00 O ATOM 0 H ASP A 94 -4.723 0.840 9.729 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.795 3.456 10.350 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.037 2.321 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.187 1.360 12.089 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.292 0.933 11.785 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.208 0.507 12.660 1.00 0.00 C ATOM 1443 C TRP A 95 0.154 1.035 12.214 1.00 0.00 C ATOM 1444 O TRP A 95 1.079 1.087 13.023 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.187 -1.021 12.715 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.153 -1.611 13.619 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.339 -1.977 14.906 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.246 -1.912 13.325 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.838 -2.472 15.426 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.856 -2.445 14.493 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.060 -1.775 12.186 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.206 -2.813 14.532 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.416 -2.129 12.216 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.991 -2.651 13.384 1.00 0.00 C ATOM 0 H TRP A 95 -2.715 0.168 11.259 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.394 0.924 13.650 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.169 -1.371 13.035 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.026 -1.403 11.707 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.270 -1.894 15.447 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.944 -2.815 16.381 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.633 -1.390 11.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.637 -3.217 15.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.023 -1.999 11.332 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.035 -2.927 13.398 1.00 0.00 H new ATOM 1465 N VAL A 96 0.297 1.428 10.944 1.00 0.00 N ATOM 1466 CA VAL A 96 1.569 1.926 10.427 1.00 0.00 C ATOM 1467 C VAL A 96 1.441 3.359 9.905 1.00 0.00 C ATOM 1468 O VAL A 96 2.448 4.054 9.786 1.00 0.00 O ATOM 1469 CB VAL A 96 2.118 0.953 9.377 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.120 0.755 8.249 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.452 1.439 8.814 1.00 0.00 C ATOM 0 H VAL A 96 -0.456 1.409 10.256 1.00 0.00 H new ATOM 0 HA VAL A 96 2.292 1.974 11.241 1.00 0.00 H new ATOM 0 HB VAL A 96 2.283 -0.004 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.532 0.061 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.192 0.349 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.919 1.713 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.815 0.727 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.316 2.414 8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.179 1.523 9.622 1.00 0.00 H new ATOM 1481 N LEU A 97 0.226 3.823 9.591 1.00 0.00 N ATOM 1482 CA LEU A 97 0.008 5.213 9.205 1.00 0.00 C ATOM 1483 C LEU A 97 0.237 6.159 10.390 1.00 0.00 C ATOM 1484 O LEU A 97 0.228 7.376 10.211 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.423 5.383 8.675 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.516 5.584 7.159 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.790 6.858 6.728 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.948 4.395 6.386 1.00 0.00 C ATOM 0 H LEU A 97 -0.619 3.252 9.598 1.00 0.00 H new ATOM 0 HA LEU A 97 0.723 5.467 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.006 4.504 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.882 6.238 9.172 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.577 5.673 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.872 6.976 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.241 7.719 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.262 6.790 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.035 4.582 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.102 4.260 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.505 3.494 6.644 1.00 0.00 H new ATOM 1500 N LYS A 98 0.443 5.613 11.596 1.00 0.00 N ATOM 1501 CA LYS A 98 0.644 6.384 12.814 1.00 0.00 C ATOM 1502 C LYS A 98 1.907 5.953 13.562 1.00 0.00 C ATOM 1503 O LYS A 98 2.149 6.415 14.675 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.587 6.208 13.702 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.848 6.759 13.037 1.00 0.00 C ATOM 1506 CD LYS A 98 -1.787 8.278 12.863 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.104 8.774 12.269 1.00 0.00 C ATOM 1508 NZ LYS A 98 -3.084 10.237 12.086 1.00 0.00 N ATOM 0 H LYS A 98 0.474 4.605 11.747 1.00 0.00 H new ATOM 0 HA LYS A 98 0.778 7.433 12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.726 5.150 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.425 6.716 14.653 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.980 6.288 12.063 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.719 6.498 13.638 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.605 8.758 13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.957 8.547 12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.281 8.287 11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.930 8.497 12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.990 10.549 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.938 10.700 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.310 10.496 11.442 1.00 0.00 H new ATOM 1522 N HIS A 99 2.709 5.072 12.957 1.00 0.00 N ATOM 1523 CA HIS A 99 3.929 4.546 13.559 1.00 0.00 C ATOM 1524 C HIS A 99 5.018 4.382 12.497 1.00 0.00 C ATOM 1525 O HIS A 99 5.976 3.636 12.695 1.00 0.00 O ATOM 1526 CB HIS A 99 3.636 3.205 14.239 1.00 0.00 C ATOM 1527 CG HIS A 99 2.597 3.292 15.327 1.00 0.00 C ATOM 1528 ND1 HIS A 99 1.385 2.642 15.347 1.00 0.00 N ATOM 1529 CD2 HIS A 99 2.681 4.024 16.481 1.00 0.00 C ATOM 1530 CE1 HIS A 99 0.754 2.981 16.486 1.00 0.00 C ATOM 1531 NE2 HIS A 99 1.506 3.824 17.215 1.00 0.00 N ATOM 0 H HIS A 99 2.524 4.702 12.025 1.00 0.00 H new ATOM 0 HA HIS A 99 4.287 5.250 14.310 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.302 2.491 13.486 1.00 0.00 H new ATOM 0 HB3 HIS A 99 4.561 2.813 14.662 1.00 0.00 H new ATOM 0 HD1 HIS A 99 1.028 2.015 14.626 1.00 0.00 H new ATOM 0 HD2 HIS A 99 3.512 4.649 16.775 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.224 2.624 16.775 1.00 0.00 H new ATOM 1539 N SER A 100 4.868 5.083 11.369 1.00 0.00 N ATOM 1540 CA SER A 100 5.789 5.019 10.240 1.00 0.00 C ATOM 1541 C SER A 100 7.202 5.468 10.596 1.00 0.00 C ATOM 1542 O SER A 100 8.137 5.247 9.830 1.00 0.00 O ATOM 1543 CB SER A 100 5.237 5.890 9.116 1.00 0.00 C ATOM 1544 OG SER A 100 5.116 7.223 9.562 1.00 0.00 O ATOM 0 H SER A 100 4.087 5.721 11.216 1.00 0.00 H new ATOM 0 HA SER A 100 5.865 3.977 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.898 5.845 8.250 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.265 5.514 8.796 1.00 0.00 H new ATOM 0 HG SER A 100 5.777 7.783 9.103 1.00 0.00 H new ATOM 1550 N GLY A 101 7.354 6.096 11.762 1.00 0.00 N ATOM 1551 CA GLY A 101 8.640 6.558 12.253 1.00 0.00 C ATOM 1552 C GLY A 101 8.524 7.140 13.660 1.00 0.00 C ATOM 1553 O GLY A 101 7.436 7.150 14.237 1.00 0.00 O ATOM 0 H GLY A 101 6.578 6.297 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.348 5.729 12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.039 7.314 11.577 1.00 0.00 H new ATOM 1557 N PRO A 102 9.647 7.624 14.211 1.00 0.00 N ATOM 1558 CA PRO A 102 9.730 8.247 15.524 1.00 0.00 C ATOM 1559 C PRO A 102 8.634 9.285 15.762 1.00 0.00 C ATOM 1560 O PRO A 102 8.430 10.133 14.863 1.00 0.00 O ATOM 1561 CB PRO A 102 11.126 8.869 15.585 1.00 0.00 C ATOM 1562 CG PRO A 102 11.946 7.969 14.666 1.00 0.00 C ATOM 1563 CD PRO A 102 10.948 7.596 13.572 1.00 0.00 C ATOM 1564 OXT PRO A 102 8.009 9.219 16.843 1.00 0.00 O ATOM 0 HA PRO A 102 9.575 7.512 16.314 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.122 9.903 15.239 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.521 8.875 16.601 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.814 8.489 14.261 1.00 0.00 H new ATOM 0 HG3 PRO A 102 12.318 7.089 15.190 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.993 8.301 12.742 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.164 6.609 13.163 1.00 0.00 H new TER 1572 PRO A 102 ATOM 1573 O5' A B 1 20.265 2.909 1.857 1.00 0.00 O ATOM 1574 C5' A B 1 19.988 2.794 0.476 1.00 0.00 C ATOM 1575 C4' A B 1 20.247 1.361 0.007 1.00 0.00 C ATOM 1576 O4' A B 1 19.206 0.521 0.466 1.00 0.00 O ATOM 1577 C3' A B 1 20.163 1.293 -1.517 1.00 0.00 C ATOM 1578 O3' A B 1 20.831 0.176 -2.114 1.00 0.00 O ATOM 1579 C2' A B 1 18.653 1.262 -1.724 1.00 0.00 C ATOM 1580 O2' A B 1 18.366 0.516 -2.889 1.00 0.00 O ATOM 1581 C1' A B 1 18.116 0.621 -0.435 1.00 0.00 C ATOM 1582 N9 A B 1 16.954 1.234 0.253 1.00 0.00 N ATOM 1583 C8 A B 1 16.236 0.639 1.256 1.00 0.00 C ATOM 1584 N7 A B 1 15.229 1.342 1.696 1.00 0.00 N ATOM 1585 C5 A B 1 15.281 2.497 0.919 1.00 0.00 C ATOM 1586 C6 A B 1 14.464 3.642 0.852 1.00 0.00 C ATOM 1587 N6 A B 1 13.394 3.840 1.628 1.00 0.00 N ATOM 1588 N1 A B 1 14.768 4.591 -0.039 1.00 0.00 N ATOM 1589 C2 A B 1 15.826 4.414 -0.816 1.00 0.00 C ATOM 1590 N3 A B 1 16.685 3.409 -0.840 1.00 0.00 N ATOM 1591 C4 A B 1 16.347 2.457 0.057 1.00 0.00 C ATOM 0 H5' A B 1 20.612 3.488 -0.087 1.00 0.00 H new ATOM 0 H5'' A B 1 18.951 3.067 0.281 1.00 0.00 H new ATOM 0 H4' A B 1 21.225 1.057 0.380 1.00 0.00 H new ATOM 0 H3' A B 1 20.677 2.121 -2.004 1.00 0.00 H new ATOM 0 H2' A B 1 18.192 2.237 -1.882 1.00 0.00 H new ATOM 0 HO2' A B 1 17.648 0.955 -3.390 1.00 0.00 H new ATOM 0 HO5' A B 1 20.098 3.830 2.149 1.00 0.00 H new ATOM 0 H1' A B 1 17.697 -0.331 -0.761 1.00 0.00 H new ATOM 0 H8 A B 1 16.484 -0.335 1.651 1.00 0.00 H new ATOM 0 H61 A B 1 12.843 4.693 1.529 1.00 0.00 H new ATOM 0 H62 A B 1 13.128 3.138 2.319 1.00 0.00 H new ATOM 0 H2 A B 1 16.014 5.202 -1.531 1.00 0.00 H new ATOM 1604 P G B 2 20.932 -1.309 -1.461 1.00 0.00 P ATOM 1605 OP1 G B 2 21.623 -1.201 -0.156 1.00 0.00 O ATOM 1606 OP2 G B 2 21.489 -2.208 -2.496 1.00 0.00 O ATOM 1607 O5' G B 2 19.409 -1.756 -1.188 1.00 0.00 O ATOM 1608 C5' G B 2 18.718 -2.687 -2.000 1.00 0.00 C ATOM 1609 C4' G B 2 17.241 -2.581 -1.621 1.00 0.00 C ATOM 1610 O4' G B 2 16.597 -1.576 -2.372 1.00 0.00 O ATOM 1611 C3' G B 2 16.376 -3.800 -1.902 1.00 0.00 C ATOM 1612 O3' G B 2 16.589 -4.860 -0.991 1.00 0.00 O ATOM 1613 C2' G B 2 14.996 -3.168 -1.712 1.00 0.00 C ATOM 1614 O2' G B 2 14.620 -3.219 -0.351 1.00 0.00 O ATOM 1615 C1' G B 2 15.223 -1.700 -2.072 1.00 0.00 C ATOM 1616 N9 G B 2 14.337 -1.279 -3.173 1.00 0.00 N ATOM 1617 C8 G B 2 14.639 -1.032 -4.484 1.00 0.00 C ATOM 1618 N7 G B 2 13.609 -0.727 -5.222 1.00 0.00 N ATOM 1619 C5 G B 2 12.547 -0.723 -4.318 1.00 0.00 C ATOM 1620 C6 G B 2 11.172 -0.417 -4.518 1.00 0.00 C ATOM 1621 O6 G B 2 10.594 -0.148 -5.565 1.00 0.00 O ATOM 1622 N1 G B 2 10.453 -0.443 -3.334 1.00 0.00 N ATOM 1623 C2 G B 2 10.981 -0.771 -2.110 1.00 0.00 C ATOM 1624 N2 G B 2 10.153 -0.757 -1.068 1.00 0.00 N ATOM 1625 N3 G B 2 12.262 -1.098 -1.915 1.00 0.00 N ATOM 1626 C4 G B 2 12.988 -1.045 -3.060 1.00 0.00 C ATOM 0 H5' G B 2 19.090 -3.698 -1.833 1.00 0.00 H new ATOM 0 H5'' G B 2 18.864 -2.464 -3.057 1.00 0.00 H new ATOM 0 H4' G B 2 17.307 -2.405 -0.547 1.00 0.00 H new ATOM 0 H3' G B 2 16.561 -4.271 -2.867 1.00 0.00 H new ATOM 0 H2' G B 2 14.228 -3.668 -2.303 1.00 0.00 H new ATOM 0 HO2' G B 2 15.177 -3.875 0.118 1.00 0.00 H new ATOM 0 H1' G B 2 14.968 -1.032 -1.249 1.00 0.00 H new ATOM 0 H8 G B 2 15.645 -1.085 -4.874 1.00 0.00 H new ATOM 0 H1 G B 2 9.463 -0.202 -3.375 1.00 0.00 H new ATOM 0 H21 G B 2 10.499 -0.994 -0.138 1.00 0.00 H new ATOM 0 H22 G B 2 9.172 -0.510 -1.199 1.00 0.00 H new ATOM 1638 P G B 3 16.639 -6.384 -1.501 1.00 0.00 P ATOM 1639 OP1 G B 3 16.847 -7.256 -0.324 1.00 0.00 O ATOM 1640 OP2 G B 3 17.592 -6.450 -2.633 1.00 0.00 O ATOM 1641 O5' G B 3 15.161 -6.659 -2.084 1.00 0.00 O ATOM 1642 C5' G B 3 14.082 -7.026 -1.244 1.00 0.00 C ATOM 1643 C4' G B 3 12.900 -7.463 -2.103 1.00 0.00 C ATOM 1644 O4' G B 3 12.306 -6.339 -2.728 1.00 0.00 O ATOM 1645 C3' G B 3 13.335 -8.441 -3.203 1.00 0.00 C ATOM 1646 O3' G B 3 12.522 -9.599 -3.175 1.00 0.00 O ATOM 1647 C2' G B 3 13.080 -7.640 -4.475 1.00 0.00 C ATOM 1648 O2' G B 3 12.732 -8.472 -5.564 1.00 0.00 O ATOM 1649 C1' G B 3 11.947 -6.723 -4.037 1.00 0.00 C ATOM 1650 N9 G B 3 11.796 -5.547 -4.917 1.00 0.00 N ATOM 1651 C8 G B 3 12.767 -4.764 -5.483 1.00 0.00 C ATOM 1652 N7 G B 3 12.305 -3.817 -6.254 1.00 0.00 N ATOM 1653 C5 G B 3 10.922 -3.974 -6.184 1.00 0.00 C ATOM 1654 C6 G B 3 9.877 -3.248 -6.830 1.00 0.00 C ATOM 1655 O6 G B 3 9.975 -2.297 -7.604 1.00 0.00 O ATOM 1656 N1 G B 3 8.619 -3.736 -6.491 1.00 0.00 N ATOM 1657 C2 G B 3 8.402 -4.775 -5.621 1.00 0.00 C ATOM 1658 N2 G B 3 7.136 -5.094 -5.380 1.00 0.00 N ATOM 1659 N3 G B 3 9.371 -5.466 -5.020 1.00 0.00 N ATOM 1660 C4 G B 3 10.606 -5.016 -5.348 1.00 0.00 C ATOM 0 H5' G B 3 13.796 -6.185 -0.612 1.00 0.00 H new ATOM 0 H5'' G B 3 14.383 -7.836 -0.580 1.00 0.00 H new ATOM 0 H4' G B 3 12.188 -7.956 -1.441 1.00 0.00 H new ATOM 0 H3' G B 3 14.364 -8.787 -3.105 1.00 0.00 H new ATOM 0 H2' G B 3 13.950 -7.099 -4.847 1.00 0.00 H new ATOM 0 HO2' G B 3 12.316 -9.294 -5.228 1.00 0.00 H new ATOM 0 H1' G B 3 10.981 -7.225 -4.085 1.00 0.00 H new ATOM 0 H8 G B 3 13.822 -4.917 -5.307 1.00 0.00 H new ATOM 0 H1 G B 3 7.805 -3.293 -6.917 1.00 0.00 H new ATOM 0 H21 G B 3 6.915 -5.858 -4.741 1.00 0.00 H new ATOM 0 H22 G B 3 6.384 -4.575 -5.833 1.00 0.00 H new ATOM 1672 P G B 4 12.882 -10.834 -2.202 1.00 0.00 P ATOM 1673 OP1 G B 4 14.354 -10.978 -2.172 1.00 0.00 O ATOM 1674 OP2 G B 4 12.050 -11.989 -2.608 1.00 0.00 O ATOM 1675 O5' G B 4 12.400 -10.362 -0.738 1.00 0.00 O ATOM 1676 C5' G B 4 11.042 -10.459 -0.363 1.00 0.00 C ATOM 1677 C4' G B 4 10.862 -10.098 1.114 1.00 0.00 C ATOM 1678 O4' G B 4 10.969 -8.696 1.288 1.00 0.00 O ATOM 1679 C3' G B 4 9.439 -10.461 1.532 1.00 0.00 C ATOM 1680 O3' G B 4 9.303 -10.577 2.935 1.00 0.00 O ATOM 1681 C2' G B 4 8.670 -9.256 0.998 1.00 0.00 C ATOM 1682 O2' G B 4 7.547 -8.924 1.784 1.00 0.00 O ATOM 1683 C1' G B 4 9.685 -8.125 1.095 1.00 0.00 C ATOM 1684 N9 G B 4 9.633 -7.200 -0.052 1.00 0.00 N ATOM 1685 C8 G B 4 8.953 -7.312 -1.237 1.00 0.00 C ATOM 1686 N7 G B 4 9.101 -6.290 -2.030 1.00 0.00 N ATOM 1687 C5 G B 4 9.954 -5.441 -1.328 1.00 0.00 C ATOM 1688 C6 G B 4 10.490 -4.170 -1.687 1.00 0.00 C ATOM 1689 O6 G B 4 10.302 -3.520 -2.713 1.00 0.00 O ATOM 1690 N1 G B 4 11.323 -3.662 -0.700 1.00 0.00 N ATOM 1691 C2 G B 4 11.574 -4.275 0.504 1.00 0.00 C ATOM 1692 N2 G B 4 12.365 -3.626 1.359 1.00 0.00 N ATOM 1693 N3 G B 4 11.074 -5.463 0.851 1.00 0.00 N ATOM 1694 C4 G B 4 10.286 -5.994 -0.118 1.00 0.00 C ATOM 0 H5' G B 4 10.682 -11.472 -0.542 1.00 0.00 H new ATOM 0 H5'' G B 4 10.440 -9.793 -0.981 1.00 0.00 H new ATOM 0 H4' G B 4 11.618 -10.626 1.695 1.00 0.00 H new ATOM 0 H3' G B 4 9.100 -11.426 1.156 1.00 0.00 H new ATOM 0 H2' G B 4 8.284 -9.450 -0.003 1.00 0.00 H new ATOM 0 HO2' G B 4 6.785 -9.480 1.517 1.00 0.00 H new ATOM 0 H1' G B 4 9.438 -7.497 1.951 1.00 0.00 H new ATOM 0 H8 G B 4 8.349 -8.171 -1.490 1.00 0.00 H new ATOM 0 H1 G B 4 11.782 -2.769 -0.881 1.00 0.00 H new ATOM 0 H21 G B 4 12.582 -4.038 2.266 1.00 0.00 H new ATOM 0 H22 G B 4 12.753 -2.717 1.106 1.00 0.00 H new ATOM 1706 P A B 5 8.601 -11.879 3.574 1.00 0.00 P ATOM 1707 OP1 A B 5 8.442 -11.658 5.030 1.00 0.00 O ATOM 1708 OP2 A B 5 9.336 -13.071 3.094 1.00 0.00 O ATOM 1709 O5' A B 5 7.136 -11.894 2.896 1.00 0.00 O ATOM 1710 C5' A B 5 6.050 -11.177 3.450 1.00 0.00 C ATOM 1711 C4' A B 5 4.930 -11.028 2.414 1.00 0.00 C ATOM 1712 O4' A B 5 5.367 -10.204 1.342 1.00 0.00 O ATOM 1713 C3' A B 5 4.450 -12.345 1.806 1.00 0.00 C ATOM 1714 O3' A B 5 3.409 -12.968 2.544 1.00 0.00 O ATOM 1715 C2' A B 5 3.945 -11.854 0.459 1.00 0.00 C ATOM 1716 O2' A B 5 2.634 -11.338 0.566 1.00 0.00 O ATOM 1717 C1' A B 5 4.871 -10.703 0.112 1.00 0.00 C ATOM 1718 N9 A B 5 5.968 -11.198 -0.748 1.00 0.00 N ATOM 1719 C8 A B 5 7.126 -11.813 -0.368 1.00 0.00 C ATOM 1720 N7 A B 5 7.928 -12.122 -1.349 1.00 0.00 N ATOM 1721 C5 A B 5 7.231 -11.696 -2.480 1.00 0.00 C ATOM 1722 C6 A B 5 7.504 -11.741 -3.863 1.00 0.00 C ATOM 1723 N6 A B 5 8.632 -12.234 -4.378 1.00 0.00 N ATOM 1724 N1 A B 5 6.583 -11.267 -4.714 1.00 0.00 N ATOM 1725 C2 A B 5 5.459 -10.767 -4.219 1.00 0.00 C ATOM 1726 N3 A B 5 5.090 -10.654 -2.954 1.00 0.00 N ATOM 1727 C4 A B 5 6.033 -11.142 -2.120 1.00 0.00 C ATOM 0 H5' A B 5 6.384 -10.193 3.779 1.00 0.00 H new ATOM 0 H5'' A B 5 5.673 -11.697 4.331 1.00 0.00 H new ATOM 0 H4' A B 5 4.096 -10.591 2.963 1.00 0.00 H new ATOM 0 H3' A B 5 5.223 -13.113 1.774 1.00 0.00 H new ATOM 0 H2' A B 5 3.930 -12.658 -0.277 1.00 0.00 H new ATOM 0 HO2' A B 5 2.411 -10.840 -0.248 1.00 0.00 H new ATOM 0 H1' A B 5 4.358 -9.913 -0.437 1.00 0.00 H new ATOM 0 H8 A B 5 7.360 -12.027 0.664 1.00 0.00 H new ATOM 0 H61 A B 5 8.772 -12.239 -5.388 1.00 0.00 H new ATOM 0 H62 A B 5 9.354 -12.606 -3.761 1.00 0.00 H new ATOM 0 H2 A B 5 4.749 -10.403 -4.947 1.00 0.00 H new ATOM 1739 P U B 6 2.667 -14.302 2.005 1.00 0.00 P ATOM 1740 OP1 U B 6 1.968 -14.924 3.153 1.00 0.00 O ATOM 1741 OP2 U B 6 3.651 -15.098 1.238 1.00 0.00 O ATOM 1742 O5' U B 6 1.537 -13.766 0.973 1.00 0.00 O ATOM 1743 C5' U B 6 0.687 -14.669 0.278 1.00 0.00 C ATOM 1744 C4' U B 6 0.876 -14.581 -1.246 1.00 0.00 C ATOM 1745 O4' U B 6 0.166 -13.509 -1.854 1.00 0.00 O ATOM 1746 C3' U B 6 2.327 -14.326 -1.602 1.00 0.00 C ATOM 1747 O3' U B 6 3.167 -15.455 -1.475 1.00 0.00 O ATOM 1748 C2' U B 6 2.215 -13.838 -3.033 1.00 0.00 C ATOM 1749 O2' U B 6 2.103 -14.919 -3.941 1.00 0.00 O ATOM 1750 C1' U B 6 0.899 -13.071 -2.997 1.00 0.00 C ATOM 1751 N1 U B 6 1.121 -11.612 -2.965 1.00 0.00 N ATOM 1752 C2 U B 6 0.165 -10.815 -3.578 1.00 0.00 C ATOM 1753 O2 U B 6 -0.866 -11.273 -4.069 1.00 0.00 O ATOM 1754 N3 U B 6 0.431 -9.458 -3.612 1.00 0.00 N ATOM 1755 C4 U B 6 1.531 -8.828 -3.062 1.00 0.00 C ATOM 1756 O4 U B 6 1.668 -7.612 -3.157 1.00 0.00 O ATOM 1757 C5 U B 6 2.444 -9.728 -2.401 1.00 0.00 C ATOM 1758 C6 U B 6 2.221 -11.058 -2.373 1.00 0.00 C ATOM 0 H5' U B 6 -0.352 -14.454 0.527 1.00 0.00 H new ATOM 0 H5'' U B 6 0.890 -15.687 0.610 1.00 0.00 H new ATOM 0 H4' U B 6 0.505 -15.539 -1.610 1.00 0.00 H new ATOM 0 H3' U B 6 2.805 -13.619 -0.924 1.00 0.00 H new ATOM 0 H2' U B 6 3.080 -13.259 -3.358 1.00 0.00 H new ATOM 0 HO2' U B 6 2.517 -15.717 -3.552 1.00 0.00 H new ATOM 0 HO3' U B 6 3.475 -15.531 -0.548 1.00 0.00 H new ATOM 0 H1' U B 6 0.331 -13.273 -3.905 1.00 0.00 H new ATOM 0 H3 U B 6 -0.250 -8.866 -4.088 1.00 0.00 H new ATOM 0 H5 U B 6 3.324 -9.329 -1.919 1.00 0.00 H new ATOM 0 H6 U B 6 2.929 -11.701 -1.871 1.00 0.00 H new TER 1770 U B 6