USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 712 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc= -1.89 X(o=-1.9,f=-2) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0.00328 USER MOD Set 2.2: A 39 ASN :FLIP amide:sc= -3.23! C(o=-4!,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0463 (180deg=-0.259) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-3.7!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 12 MET CE :methyl -178:sc= -0.0902 (180deg=-0.0966) USER MOD Single : A 14 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 15 SER OG : rot 101:sc= 0.877 USER MOD Single : A 24 SER OG : rot -78:sc= 1.26 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 34 SER OG : rot 80:sc= 0.238 USER MOD Single : A 38 LYS NZ :NH3+ -127:sc= -1.31 (180deg=-3.47!) USER MOD Single : A 42 SER OG : rot -82:sc= 0.954 USER MOD Single : A 47 ASN :FLIP amide:sc= -1.09 F(o=-1.7!,f=-1.1) USER MOD Single : A 50 HIS : no HD1:sc=-0.00911 X(o=-0.0091,f=-0.31) USER MOD Single : A 54 SER OG : rot -73:sc= 0.151 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= -0.0739 (180deg=-0.548) USER MOD Single : A 59 LYS NZ :NH3+ 157:sc= -0.0833 (180deg=-0.631) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.118 (180deg=-0.673) USER MOD Single : A 75 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-1.4) USER MOD Single : A 76 SER OG : rot -110:sc= -2.69 USER MOD Single : A 82 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-13!) USER MOD Single : A 87 HIS : no HE2:sc= 0.425 K(o=0.43,f=-1.4!) USER MOD Single : A 88 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-2) USER MOD Single : A 89 HIS : no HD1:sc= 0.482 K(o=0.48,f=-2.8!) USER MOD Single : A 90 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-3.3!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0857 K(o=-0.086,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.436 -16.760 11.937 1.00 0.00 N ATOM 2 CA MET A 1 -6.079 -17.044 10.624 1.00 0.00 C ATOM 3 C MET A 1 -6.947 -15.831 10.233 1.00 0.00 C ATOM 4 O MET A 1 -7.417 -15.116 11.095 1.00 0.00 O ATOM 5 CB MET A 1 -6.953 -18.303 10.761 1.00 0.00 C ATOM 6 CG MET A 1 -6.065 -19.554 10.835 1.00 0.00 C ATOM 7 SD MET A 1 -7.075 -20.990 11.280 1.00 0.00 S ATOM 8 CE MET A 1 -5.729 -22.050 11.867 1.00 0.00 C ATOM 0 H1 MET A 1 -4.408 -16.668 11.808 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.817 -15.874 12.326 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.633 -17.540 12.596 1.00 0.00 H new ATOM 0 HA MET A 1 -5.327 -17.215 9.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.570 -18.232 11.657 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.632 -18.379 9.912 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.577 -19.723 9.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.276 -19.409 11.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.136 -23.006 12.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.018 -22.217 11.058 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.221 -21.565 12.701 1.00 0.00 H new ATOM 20 N PRO A 2 -7.172 -15.586 8.952 1.00 0.00 N ATOM 21 CA PRO A 2 -8.010 -14.427 8.514 1.00 0.00 C ATOM 22 C PRO A 2 -9.293 -14.291 9.354 1.00 0.00 C ATOM 23 O PRO A 2 -9.974 -15.259 9.626 1.00 0.00 O ATOM 24 CB PRO A 2 -8.353 -14.749 7.042 1.00 0.00 C ATOM 25 CG PRO A 2 -7.258 -15.664 6.557 1.00 0.00 C ATOM 26 CD PRO A 2 -6.653 -16.356 7.801 1.00 0.00 C ATOM 0 HA PRO A 2 -7.486 -13.479 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.328 -15.230 6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.397 -13.840 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.655 -16.403 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.494 -15.100 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.954 -17.402 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.564 -16.339 7.773 1.00 0.00 H new ATOM 34 N HIS A 3 -9.622 -13.091 9.764 1.00 0.00 N ATOM 35 CA HIS A 3 -10.856 -12.888 10.584 1.00 0.00 C ATOM 36 C HIS A 3 -12.087 -12.910 9.671 1.00 0.00 C ATOM 37 O HIS A 3 -12.643 -13.950 9.382 1.00 0.00 O ATOM 38 CB HIS A 3 -10.776 -11.532 11.299 1.00 0.00 C ATOM 39 CG HIS A 3 -9.667 -11.555 12.316 1.00 0.00 C ATOM 40 ND1 HIS A 3 -8.388 -11.112 12.022 1.00 0.00 N ATOM 41 CD2 HIS A 3 -9.634 -11.959 13.627 1.00 0.00 C ATOM 42 CE1 HIS A 3 -7.644 -11.258 13.133 1.00 0.00 C ATOM 43 NE2 HIS A 3 -8.355 -11.771 14.141 1.00 0.00 N ATOM 0 H HIS A 3 -9.090 -12.244 9.566 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.937 -13.686 11.322 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.600 -10.738 10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.725 -11.312 11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.473 -12.361 14.176 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.599 -10.993 13.202 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.030 -11.980 15.085 1.00 0.00 H new ATOM 51 N LYS A 4 -12.517 -11.758 9.216 1.00 0.00 N ATOM 52 CA LYS A 4 -13.716 -11.687 8.321 1.00 0.00 C ATOM 53 C LYS A 4 -13.269 -11.843 6.865 1.00 0.00 C ATOM 54 O LYS A 4 -12.264 -12.462 6.575 1.00 0.00 O ATOM 55 CB LYS A 4 -14.412 -10.326 8.496 1.00 0.00 C ATOM 56 CG LYS A 4 -14.632 -10.000 9.982 1.00 0.00 C ATOM 57 CD LYS A 4 -15.487 -11.080 10.660 1.00 0.00 C ATOM 58 CE LYS A 4 -15.888 -10.613 12.064 1.00 0.00 C ATOM 59 NZ LYS A 4 -16.739 -11.655 12.708 1.00 0.00 N ATOM 0 H LYS A 4 -12.086 -10.858 9.427 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.411 -12.485 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.808 -9.544 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.371 -10.336 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.669 -9.922 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.121 -9.031 10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.378 -11.280 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.929 -12.014 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.998 -10.431 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.431 -9.670 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.012 -11.340 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.594 -11.808 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.205 -12.545 12.777 1.00 0.00 H new ATOM 73 N GLU A 5 -14.008 -11.282 5.948 1.00 0.00 N ATOM 74 CA GLU A 5 -13.634 -11.390 4.508 1.00 0.00 C ATOM 75 C GLU A 5 -12.403 -10.521 4.231 1.00 0.00 C ATOM 76 O GLU A 5 -12.289 -9.901 3.192 1.00 0.00 O ATOM 77 CB GLU A 5 -14.805 -10.909 3.647 1.00 0.00 C ATOM 78 CG GLU A 5 -15.983 -11.878 3.800 1.00 0.00 C ATOM 79 CD GLU A 5 -17.196 -11.355 3.022 1.00 0.00 C ATOM 80 OE1 GLU A 5 -17.073 -10.322 2.385 1.00 0.00 O ATOM 81 OE2 GLU A 5 -18.231 -12.001 3.077 1.00 0.00 O ATOM 0 H GLU A 5 -14.859 -10.751 6.134 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.403 -12.428 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.104 -9.905 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.502 -10.850 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.703 -12.865 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.237 -11.991 4.854 1.00 0.00 H new ATOM 88 N LYS A 6 -11.480 -10.466 5.157 1.00 0.00 N ATOM 89 CA LYS A 6 -10.256 -9.635 4.957 1.00 0.00 C ATOM 90 C LYS A 6 -9.287 -10.384 4.034 1.00 0.00 C ATOM 91 O LYS A 6 -8.416 -9.796 3.428 1.00 0.00 O ATOM 92 CB LYS A 6 -9.596 -9.388 6.319 1.00 0.00 C ATOM 93 CG LYS A 6 -8.462 -8.366 6.170 1.00 0.00 C ATOM 94 CD LYS A 6 -7.787 -8.102 7.532 1.00 0.00 C ATOM 95 CE LYS A 6 -8.709 -7.296 8.467 1.00 0.00 C ATOM 96 NZ LYS A 6 -7.901 -6.729 9.585 1.00 0.00 N ATOM 0 H LYS A 6 -11.522 -10.963 6.047 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.518 -8.679 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.336 -9.022 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.204 -10.324 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.724 -8.735 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.856 -7.433 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.528 -9.051 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.855 -7.558 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.198 -6.495 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.497 -7.937 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.520 -6.184 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.455 -7.503 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.164 -6.104 9.199 1.00 0.00 H new ATOM 110 N HIS A 7 -9.453 -11.680 3.919 1.00 0.00 N ATOM 111 CA HIS A 7 -8.568 -12.497 3.030 1.00 0.00 C ATOM 112 C HIS A 7 -7.116 -12.439 3.556 1.00 0.00 C ATOM 113 O HIS A 7 -6.725 -11.456 4.153 1.00 0.00 O ATOM 114 CB HIS A 7 -8.644 -11.949 1.587 1.00 0.00 C ATOM 115 CG HIS A 7 -10.063 -11.546 1.271 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.111 -12.457 1.279 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.623 -10.336 0.942 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.234 -11.785 0.963 1.00 0.00 C ATOM 119 NE2 HIS A 7 -11.993 -10.490 0.748 1.00 0.00 N ATOM 0 H HIS A 7 -10.172 -12.212 4.409 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.899 -13.535 3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.979 -11.092 1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.305 -12.707 0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.082 -9.406 0.848 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.211 -12.239 0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.668 -9.768 0.496 1.00 0.00 H new ATOM 127 N PRO A 8 -6.306 -13.470 3.345 1.00 0.00 N ATOM 128 CA PRO A 8 -4.892 -13.471 3.825 1.00 0.00 C ATOM 129 C PRO A 8 -4.185 -12.134 3.558 1.00 0.00 C ATOM 130 O PRO A 8 -4.524 -11.412 2.642 1.00 0.00 O ATOM 131 CB PRO A 8 -4.216 -14.615 3.035 1.00 0.00 C ATOM 132 CG PRO A 8 -5.328 -15.538 2.605 1.00 0.00 C ATOM 133 CD PRO A 8 -6.649 -14.728 2.649 1.00 0.00 C ATOM 0 HA PRO A 8 -4.839 -13.612 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.676 -14.227 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.490 -15.141 3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.144 -15.917 1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.386 -16.402 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.026 -14.533 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.428 -15.273 3.181 1.00 0.00 H new ATOM 141 N LEU A 9 -3.211 -11.804 4.359 1.00 0.00 N ATOM 142 CA LEU A 9 -2.486 -10.519 4.159 1.00 0.00 C ATOM 143 C LEU A 9 -1.785 -10.542 2.798 1.00 0.00 C ATOM 144 O LEU A 9 -1.772 -9.565 2.076 1.00 0.00 O ATOM 145 CB LEU A 9 -1.440 -10.344 5.268 1.00 0.00 C ATOM 146 CG LEU A 9 -2.083 -10.533 6.650 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.996 -10.407 7.724 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.178 -9.472 6.889 1.00 0.00 C ATOM 0 H LEU A 9 -2.886 -12.369 5.144 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.194 -9.691 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.635 -11.066 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.993 -9.352 5.201 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.545 -11.519 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.442 -10.540 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.236 -11.171 7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.537 -9.420 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.622 -9.622 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.737 -8.476 6.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.949 -9.567 6.125 1.00 0.00 H new ATOM 160 N GLN A 10 -1.202 -11.654 2.441 1.00 0.00 N ATOM 161 CA GLN A 10 -0.501 -11.741 1.129 1.00 0.00 C ATOM 162 C GLN A 10 -1.506 -11.486 0.005 1.00 0.00 C ATOM 163 O GLN A 10 -1.280 -10.675 -0.873 1.00 0.00 O ATOM 164 CB GLN A 10 0.097 -13.147 0.978 1.00 0.00 C ATOM 165 CG GLN A 10 0.963 -13.209 -0.279 1.00 0.00 C ATOM 166 CD GLN A 10 1.585 -14.599 -0.408 1.00 0.00 C ATOM 167 OE1 GLN A 10 0.922 -15.596 -0.201 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.842 -14.709 -0.748 1.00 0.00 N ATOM 0 H GLN A 10 -1.181 -12.506 3.002 1.00 0.00 H new ATOM 0 HA GLN A 10 0.294 -10.997 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.695 -13.394 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.701 -13.887 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.360 -12.987 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.746 -12.453 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.398 -13.872 -0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.267 -15.632 -0.840 1.00 0.00 H new ATOM 177 N ASP A 11 -2.617 -12.164 0.030 1.00 0.00 N ATOM 178 CA ASP A 11 -3.645 -11.958 -1.028 1.00 0.00 C ATOM 179 C ASP A 11 -4.248 -10.555 -0.896 1.00 0.00 C ATOM 180 O ASP A 11 -4.657 -9.951 -1.867 1.00 0.00 O ATOM 181 CB ASP A 11 -4.749 -13.011 -0.878 1.00 0.00 C ATOM 182 CG ASP A 11 -5.704 -12.929 -2.072 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.301 -12.398 -3.096 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.822 -13.398 -1.944 1.00 0.00 O ATOM 0 H ASP A 11 -2.859 -12.855 0.740 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.181 -12.057 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.310 -14.007 -0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.297 -12.848 0.050 1.00 0.00 H new ATOM 189 N MET A 12 -4.314 -10.037 0.302 1.00 0.00 N ATOM 190 CA MET A 12 -4.901 -8.680 0.502 1.00 0.00 C ATOM 191 C MET A 12 -4.046 -7.625 -0.208 1.00 0.00 C ATOM 192 O MET A 12 -4.491 -6.968 -1.128 1.00 0.00 O ATOM 193 CB MET A 12 -4.950 -8.379 2.005 1.00 0.00 C ATOM 194 CG MET A 12 -5.677 -7.055 2.252 1.00 0.00 C ATOM 195 SD MET A 12 -5.857 -6.792 4.040 1.00 0.00 S ATOM 196 CE MET A 12 -7.403 -5.850 4.007 1.00 0.00 C ATOM 0 H MET A 12 -3.986 -10.496 1.152 1.00 0.00 H new ATOM 0 HA MET A 12 -5.907 -8.653 0.083 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.461 -9.187 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.938 -8.328 2.407 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.119 -6.232 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.657 -7.071 1.775 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.672 -5.557 5.022 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.273 -4.958 3.394 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.196 -6.467 3.586 1.00 0.00 H new ATOM 206 N PHE A 13 -2.822 -7.453 0.215 1.00 0.00 N ATOM 207 CA PHE A 13 -1.945 -6.433 -0.432 1.00 0.00 C ATOM 208 C PHE A 13 -1.708 -6.799 -1.901 1.00 0.00 C ATOM 209 O PHE A 13 -1.741 -5.955 -2.773 1.00 0.00 O ATOM 210 CB PHE A 13 -0.597 -6.375 0.297 1.00 0.00 C ATOM 211 CG PHE A 13 -0.800 -5.860 1.711 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.180 -4.527 1.914 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.607 -6.705 2.816 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.366 -4.040 3.213 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.794 -6.217 4.114 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.174 -4.885 4.313 1.00 0.00 C ATOM 0 H PHE A 13 -2.392 -7.974 0.979 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.435 -5.461 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.144 -7.366 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.091 -5.724 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.330 -3.874 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.314 -7.733 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.658 -3.012 3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.645 -6.868 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.319 -4.509 5.315 1.00 0.00 H new ATOM 226 N THR A 14 -1.456 -8.047 -2.184 1.00 0.00 N ATOM 227 CA THR A 14 -1.198 -8.453 -3.595 1.00 0.00 C ATOM 228 C THR A 14 -2.419 -8.128 -4.461 1.00 0.00 C ATOM 229 O THR A 14 -2.294 -7.586 -5.542 1.00 0.00 O ATOM 230 CB THR A 14 -0.914 -9.960 -3.642 1.00 0.00 C ATOM 231 OG1 THR A 14 0.242 -10.239 -2.864 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.670 -10.407 -5.088 1.00 0.00 C ATOM 0 H THR A 14 -1.417 -8.803 -1.500 1.00 0.00 H new ATOM 0 HA THR A 14 -0.337 -7.907 -3.980 1.00 0.00 H new ATOM 0 HB THR A 14 -1.773 -10.499 -3.244 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.011 -10.323 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.470 -11.478 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.553 -10.191 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.186 -9.870 -5.495 1.00 0.00 H new ATOM 240 N SER A 15 -3.595 -8.455 -4.002 1.00 0.00 N ATOM 241 CA SER A 15 -4.812 -8.164 -4.810 1.00 0.00 C ATOM 242 C SER A 15 -4.957 -6.653 -5.025 1.00 0.00 C ATOM 243 O SER A 15 -5.251 -6.197 -6.112 1.00 0.00 O ATOM 244 CB SER A 15 -6.047 -8.696 -4.079 1.00 0.00 C ATOM 245 OG SER A 15 -5.946 -10.109 -3.960 1.00 0.00 O ATOM 0 H SER A 15 -3.766 -8.910 -3.105 1.00 0.00 H new ATOM 0 HA SER A 15 -4.719 -8.652 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.125 -8.240 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.951 -8.429 -4.626 1.00 0.00 H new ATOM 0 HG SER A 15 -5.645 -10.340 -3.057 1.00 0.00 H new ATOM 251 N ALA A 16 -4.758 -5.869 -3.997 1.00 0.00 N ATOM 252 CA ALA A 16 -4.895 -4.387 -4.146 1.00 0.00 C ATOM 253 C ALA A 16 -3.733 -3.811 -4.962 1.00 0.00 C ATOM 254 O ALA A 16 -3.930 -2.998 -5.842 1.00 0.00 O ATOM 255 CB ALA A 16 -4.894 -3.738 -2.762 1.00 0.00 C ATOM 0 H ALA A 16 -4.507 -6.189 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.830 -4.178 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.994 -2.658 -2.867 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.729 -4.125 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.958 -3.968 -2.253 1.00 0.00 H new ATOM 261 N ILE A 17 -2.523 -4.203 -4.664 1.00 0.00 N ATOM 262 CA ILE A 17 -1.351 -3.651 -5.404 1.00 0.00 C ATOM 263 C ILE A 17 -1.445 -4.027 -6.885 1.00 0.00 C ATOM 264 O ILE A 17 -1.243 -3.205 -7.754 1.00 0.00 O ATOM 265 CB ILE A 17 -0.064 -4.245 -4.797 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.123 -3.702 -3.364 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.164 -3.870 -5.654 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.185 -4.531 -2.634 1.00 0.00 C ATOM 0 H ILE A 17 -2.295 -4.883 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.338 -2.564 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.155 -5.331 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.424 -2.655 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.822 -3.745 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.062 -4.298 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.037 -4.261 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.261 -2.785 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.315 -4.146 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.865 -5.572 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.131 -4.466 -3.172 1.00 0.00 H new ATOM 280 N GLU A 18 -1.744 -5.259 -7.175 1.00 0.00 N ATOM 281 CA GLU A 18 -1.835 -5.688 -8.599 1.00 0.00 C ATOM 282 C GLU A 18 -3.038 -5.013 -9.265 1.00 0.00 C ATOM 283 O GLU A 18 -2.997 -4.656 -10.425 1.00 0.00 O ATOM 284 CB GLU A 18 -1.994 -7.209 -8.657 1.00 0.00 C ATOM 285 CG GLU A 18 -1.925 -7.681 -10.113 1.00 0.00 C ATOM 286 CD GLU A 18 -2.001 -9.209 -10.163 1.00 0.00 C ATOM 287 OE1 GLU A 18 -1.812 -9.832 -9.129 1.00 0.00 O ATOM 288 OE2 GLU A 18 -2.247 -9.733 -11.238 1.00 0.00 O ATOM 0 H GLU A 18 -1.930 -5.990 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.928 -5.397 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.210 -7.689 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.946 -7.502 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.745 -7.247 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.998 -7.338 -10.573 1.00 0.00 H new ATOM 295 N ALA A 19 -4.108 -4.840 -8.541 1.00 0.00 N ATOM 296 CA ALA A 19 -5.314 -4.196 -9.137 1.00 0.00 C ATOM 297 C ALA A 19 -5.007 -2.738 -9.504 1.00 0.00 C ATOM 298 O ALA A 19 -5.447 -2.249 -10.527 1.00 0.00 O ATOM 299 CB ALA A 19 -6.463 -4.236 -8.126 1.00 0.00 C ATOM 0 H ALA A 19 -4.201 -5.116 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.598 -4.737 -10.040 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.346 -3.766 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.690 -5.272 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.172 -3.699 -7.223 1.00 0.00 H new ATOM 305 N VAL A 20 -4.264 -2.036 -8.675 1.00 0.00 N ATOM 306 CA VAL A 20 -3.936 -0.596 -8.967 1.00 0.00 C ATOM 307 C VAL A 20 -2.527 -0.491 -9.567 1.00 0.00 C ATOM 308 O VAL A 20 -2.064 0.584 -9.883 1.00 0.00 O ATOM 309 CB VAL A 20 -4.012 0.223 -7.660 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.327 -0.098 -6.939 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.819 -0.110 -6.737 1.00 0.00 C ATOM 0 H VAL A 20 -3.869 -2.398 -7.807 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.655 -0.201 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.972 1.284 -7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.385 0.478 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.168 0.162 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.364 -1.162 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.892 0.478 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.836 -1.171 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.886 0.128 -7.248 1.00 0.00 H new ATOM 321 N ALA A 21 -1.840 -1.594 -9.724 1.00 0.00 N ATOM 322 CA ALA A 21 -0.466 -1.528 -10.303 1.00 0.00 C ATOM 323 C ALA A 21 -0.553 -0.907 -11.694 1.00 0.00 C ATOM 324 O ALA A 21 0.188 -0.004 -12.025 1.00 0.00 O ATOM 325 CB ALA A 21 0.137 -2.938 -10.406 1.00 0.00 C ATOM 0 H ALA A 21 -2.168 -2.528 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 21 0.172 -0.923 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.139 -2.875 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.190 -3.384 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.490 -3.556 -11.048 1.00 0.00 H new ATOM 331 N ARG A 22 -1.476 -1.365 -12.502 1.00 0.00 N ATOM 332 CA ARG A 22 -1.636 -0.782 -13.863 1.00 0.00 C ATOM 333 C ARG A 22 -0.269 -0.696 -14.562 1.00 0.00 C ATOM 334 O ARG A 22 0.012 0.222 -15.306 1.00 0.00 O ATOM 335 CB ARG A 22 -2.250 0.609 -13.710 1.00 0.00 C ATOM 336 CG ARG A 22 -3.710 0.491 -13.232 1.00 0.00 C ATOM 337 CD ARG A 22 -4.247 1.898 -12.849 1.00 0.00 C ATOM 338 NE ARG A 22 -5.708 2.003 -13.184 1.00 0.00 N ATOM 339 CZ ARG A 22 -6.470 2.878 -12.561 1.00 0.00 C ATOM 340 NH1 ARG A 22 -6.097 3.410 -11.425 1.00 0.00 N ATOM 341 NH2 ARG A 22 -7.630 3.201 -13.046 1.00 0.00 N ATOM 0 H ARG A 22 -2.125 -2.118 -12.275 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.285 -1.409 -14.474 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.671 1.194 -12.996 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.212 1.139 -14.662 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.327 0.057 -14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.770 -0.178 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.097 2.075 -11.784 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.688 2.667 -13.382 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.111 1.394 -13.896 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.203 3.148 -11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.700 4.086 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.956 2.776 -13.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.216 3.879 -12.559 1.00 0.00 H new ATOM 355 N ASP A 23 0.578 -1.657 -14.302 1.00 0.00 N ATOM 356 CA ASP A 23 1.938 -1.680 -14.914 1.00 0.00 C ATOM 357 C ASP A 23 2.654 -0.351 -14.647 1.00 0.00 C ATOM 358 O ASP A 23 3.707 -0.084 -15.190 1.00 0.00 O ATOM 359 CB ASP A 23 1.825 -1.919 -16.426 1.00 0.00 C ATOM 360 CG ASP A 23 1.317 -3.340 -16.689 1.00 0.00 C ATOM 361 OD1 ASP A 23 1.353 -4.144 -15.769 1.00 0.00 O ATOM 362 OD2 ASP A 23 0.899 -3.603 -17.805 1.00 0.00 O ATOM 0 H ASP A 23 0.380 -2.441 -13.680 1.00 0.00 H new ATOM 0 HA ASP A 23 2.516 -2.490 -14.468 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.144 -1.192 -16.869 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.796 -1.776 -16.900 1.00 0.00 H new ATOM 367 N SER A 24 2.099 0.475 -13.800 1.00 0.00 N ATOM 368 CA SER A 24 2.751 1.780 -13.481 1.00 0.00 C ATOM 369 C SER A 24 3.884 1.556 -12.474 1.00 0.00 C ATOM 370 O SER A 24 3.990 0.511 -11.864 1.00 0.00 O ATOM 371 CB SER A 24 1.720 2.735 -12.879 1.00 0.00 C ATOM 372 OG SER A 24 1.326 2.258 -11.598 1.00 0.00 O ATOM 0 H SER A 24 1.219 0.302 -13.314 1.00 0.00 H new ATOM 0 HA SER A 24 3.157 2.212 -14.396 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.142 3.736 -12.792 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.852 2.811 -13.534 1.00 0.00 H new ATOM 0 HG SER A 24 0.682 1.527 -11.705 1.00 0.00 H new ATOM 378 N GLY A 25 4.734 2.532 -12.305 1.00 0.00 N ATOM 379 CA GLY A 25 5.867 2.382 -11.346 1.00 0.00 C ATOM 380 C GLY A 25 5.332 2.041 -9.952 1.00 0.00 C ATOM 381 O GLY A 25 4.734 2.864 -9.286 1.00 0.00 O ATOM 0 H GLY A 25 4.693 3.428 -12.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.542 1.597 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.446 3.305 -11.307 1.00 0.00 H new ATOM 385 N TRP A 26 5.562 0.834 -9.504 1.00 0.00 N ATOM 386 CA TRP A 26 5.091 0.417 -8.143 1.00 0.00 C ATOM 387 C TRP A 26 3.630 0.848 -7.925 1.00 0.00 C ATOM 388 O TRP A 26 2.926 1.169 -8.861 1.00 0.00 O ATOM 389 CB TRP A 26 5.980 1.086 -7.087 1.00 0.00 C ATOM 390 CG TRP A 26 7.377 0.557 -7.188 1.00 0.00 C ATOM 391 CD1 TRP A 26 8.212 0.760 -8.234 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.118 -0.247 -6.225 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.414 0.126 -7.975 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.405 -0.509 -6.749 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.799 -0.774 -4.958 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.345 -1.264 -6.045 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.742 -1.533 -4.245 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.013 -1.778 -4.788 1.00 0.00 C ATOM 0 H TRP A 26 6.060 0.112 -10.025 1.00 0.00 H new ATOM 0 HA TRP A 26 5.152 -0.668 -8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.980 2.167 -7.230 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.581 0.897 -6.090 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.978 1.324 -9.125 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.210 0.127 -8.612 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.823 -0.593 -4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.321 -1.450 -6.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.488 -1.930 -3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.733 -2.363 -4.235 1.00 0.00 H new ATOM 409 N ALA A 27 3.178 0.857 -6.689 1.00 0.00 N ATOM 410 CA ALA A 27 1.766 1.268 -6.376 1.00 0.00 C ATOM 411 C ALA A 27 1.773 2.218 -5.174 1.00 0.00 C ATOM 412 O ALA A 27 2.426 1.969 -4.183 1.00 0.00 O ATOM 413 CB ALA A 27 0.946 0.023 -6.024 1.00 0.00 C ATOM 0 H ALA A 27 3.733 0.594 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 27 1.328 1.768 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.079 0.315 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.948 -0.665 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.385 -0.468 -5.156 1.00 0.00 H new ATOM 419 N GLU A 28 1.053 3.307 -5.256 1.00 0.00 N ATOM 420 CA GLU A 28 1.020 4.270 -4.119 1.00 0.00 C ATOM 421 C GLU A 28 0.275 3.644 -2.935 1.00 0.00 C ATOM 422 O GLU A 28 -0.775 3.052 -3.090 1.00 0.00 O ATOM 423 CB GLU A 28 0.306 5.553 -4.561 1.00 0.00 C ATOM 424 CG GLU A 28 1.154 6.279 -5.614 1.00 0.00 C ATOM 425 CD GLU A 28 0.402 7.507 -6.139 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.704 7.748 -5.681 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.949 8.186 -6.994 1.00 0.00 O ATOM 0 H GLU A 28 0.487 3.570 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 28 2.039 4.509 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.674 5.312 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.140 6.203 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.106 6.584 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.382 5.603 -6.438 1.00 0.00 H new ATOM 434 N LEU A 29 0.824 3.753 -1.753 1.00 0.00 N ATOM 435 CA LEU A 29 0.168 3.149 -0.554 1.00 0.00 C ATOM 436 C LEU A 29 -1.237 3.743 -0.400 1.00 0.00 C ATOM 437 O LEU A 29 -2.179 3.053 -0.066 1.00 0.00 O ATOM 438 CB LEU A 29 1.007 3.468 0.695 1.00 0.00 C ATOM 439 CG LEU A 29 0.468 2.727 1.942 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.645 1.198 1.797 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.236 3.218 3.179 1.00 0.00 C ATOM 0 H LEU A 29 1.702 4.236 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 29 0.094 2.068 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.045 3.183 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.998 4.543 0.876 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.596 2.938 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.258 0.701 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.099 0.850 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.703 0.964 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.865 2.703 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.298 3.008 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.090 4.292 3.295 1.00 0.00 H new ATOM 453 N SER A 30 -1.383 5.019 -0.641 1.00 0.00 N ATOM 454 CA SER A 30 -2.728 5.653 -0.504 1.00 0.00 C ATOM 455 C SER A 30 -3.726 4.922 -1.409 1.00 0.00 C ATOM 456 O SER A 30 -4.854 4.670 -1.028 1.00 0.00 O ATOM 457 CB SER A 30 -2.642 7.119 -0.929 1.00 0.00 C ATOM 458 OG SER A 30 -2.195 7.191 -2.277 1.00 0.00 O ATOM 0 H SER A 30 -0.632 5.648 -0.926 1.00 0.00 H new ATOM 0 HA SER A 30 -3.058 5.591 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.617 7.596 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.956 7.659 -0.277 1.00 0.00 H new ATOM 0 HG SER A 30 -2.140 8.130 -2.554 1.00 0.00 H new ATOM 464 N ALA A 31 -3.321 4.577 -2.599 1.00 0.00 N ATOM 465 CA ALA A 31 -4.246 3.857 -3.520 1.00 0.00 C ATOM 466 C ALA A 31 -4.585 2.480 -2.935 1.00 0.00 C ATOM 467 O ALA A 31 -5.696 2.004 -3.048 1.00 0.00 O ATOM 468 CB ALA A 31 -3.575 3.677 -4.884 1.00 0.00 C ATOM 0 H ALA A 31 -2.391 4.762 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.161 4.438 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.253 3.150 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.335 4.654 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.659 3.098 -4.765 1.00 0.00 H new ATOM 474 N VAL A 32 -3.631 1.836 -2.318 1.00 0.00 N ATOM 475 CA VAL A 32 -3.896 0.488 -1.733 1.00 0.00 C ATOM 476 C VAL A 32 -4.967 0.603 -0.643 1.00 0.00 C ATOM 477 O VAL A 32 -5.911 -0.160 -0.605 1.00 0.00 O ATOM 478 CB VAL A 32 -2.593 -0.052 -1.127 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.844 -1.399 -0.430 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.560 -0.235 -2.244 1.00 0.00 C ATOM 0 H VAL A 32 -2.680 2.184 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.251 -0.191 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.221 0.658 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.911 -1.769 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.577 -1.266 0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.223 -2.119 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.631 -0.618 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.942 -0.941 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.371 0.724 -2.725 1.00 0.00 H new ATOM 490 N GLY A 33 -4.822 1.541 0.251 1.00 0.00 N ATOM 491 CA GLY A 33 -5.828 1.687 1.343 1.00 0.00 C ATOM 492 C GLY A 33 -7.202 2.005 0.749 1.00 0.00 C ATOM 493 O GLY A 33 -8.197 1.416 1.113 1.00 0.00 O ATOM 0 H GLY A 33 -4.054 2.211 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.879 0.768 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.524 2.482 2.025 1.00 0.00 H new ATOM 497 N SER A 34 -7.263 2.934 -0.167 1.00 0.00 N ATOM 498 CA SER A 34 -8.575 3.282 -0.783 1.00 0.00 C ATOM 499 C SER A 34 -9.138 2.069 -1.529 1.00 0.00 C ATOM 500 O SER A 34 -10.313 1.765 -1.451 1.00 0.00 O ATOM 501 CB SER A 34 -8.388 4.439 -1.765 1.00 0.00 C ATOM 502 OG SER A 34 -7.820 5.550 -1.081 1.00 0.00 O ATOM 0 H SER A 34 -6.464 3.465 -0.514 1.00 0.00 H new ATOM 0 HA SER A 34 -9.271 3.577 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.740 4.133 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.347 4.718 -2.203 1.00 0.00 H new ATOM 0 HG SER A 34 -6.854 5.415 -0.982 1.00 0.00 H new ATOM 508 N TYR A 35 -8.308 1.377 -2.260 1.00 0.00 N ATOM 509 CA TYR A 35 -8.789 0.188 -3.025 1.00 0.00 C ATOM 510 C TYR A 35 -9.327 -0.867 -2.053 1.00 0.00 C ATOM 511 O TYR A 35 -10.393 -1.419 -2.246 1.00 0.00 O ATOM 512 CB TYR A 35 -7.622 -0.404 -3.821 1.00 0.00 C ATOM 513 CG TYR A 35 -8.105 -1.595 -4.628 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.111 -2.875 -4.057 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.541 -1.420 -5.948 1.00 0.00 C ATOM 516 CE1 TYR A 35 -8.549 -3.975 -4.803 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.981 -2.519 -6.694 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.984 -3.797 -6.121 1.00 0.00 C ATOM 519 OH TYR A 35 -9.416 -4.880 -6.857 1.00 0.00 O ATOM 0 H TYR A 35 -7.314 1.583 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.585 0.491 -3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.202 0.351 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.825 -0.711 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.777 -3.013 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.537 -0.435 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.551 -4.961 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.318 -2.382 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.684 -4.582 -7.751 1.00 0.00 H new ATOM 529 N LEU A 36 -8.594 -1.153 -1.011 1.00 0.00 N ATOM 530 CA LEU A 36 -9.056 -2.176 -0.031 1.00 0.00 C ATOM 531 C LEU A 36 -10.355 -1.698 0.619 1.00 0.00 C ATOM 532 O LEU A 36 -11.274 -2.464 0.822 1.00 0.00 O ATOM 533 CB LEU A 36 -7.978 -2.369 1.048 1.00 0.00 C ATOM 534 CG LEU A 36 -6.707 -3.015 0.447 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.546 -2.880 1.445 1.00 0.00 C ATOM 536 CD2 LEU A 36 -6.940 -4.514 0.147 1.00 0.00 C ATOM 0 H LEU A 36 -7.695 -0.722 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.231 -3.124 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.726 -1.406 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.367 -2.998 1.849 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.468 -2.503 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.649 -3.335 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.359 -1.825 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.806 -3.385 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.032 -4.946 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.195 -5.035 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.757 -4.620 -0.566 1.00 0.00 H new ATOM 548 N ALA A 37 -10.443 -0.436 0.947 1.00 0.00 N ATOM 549 CA ALA A 37 -11.691 0.080 1.586 1.00 0.00 C ATOM 550 C ALA A 37 -12.889 -0.248 0.691 1.00 0.00 C ATOM 551 O ALA A 37 -13.929 -0.673 1.156 1.00 0.00 O ATOM 552 CB ALA A 37 -11.587 1.597 1.757 1.00 0.00 C ATOM 0 H ALA A 37 -9.709 0.257 0.801 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.822 -0.388 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.497 1.974 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.731 1.834 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.459 2.065 0.781 1.00 0.00 H new ATOM 558 N LYS A 38 -12.744 -0.067 -0.591 1.00 0.00 N ATOM 559 CA LYS A 38 -13.860 -0.379 -1.524 1.00 0.00 C ATOM 560 C LYS A 38 -14.144 -1.885 -1.492 1.00 0.00 C ATOM 561 O LYS A 38 -15.282 -2.314 -1.477 1.00 0.00 O ATOM 562 CB LYS A 38 -13.454 0.036 -2.942 1.00 0.00 C ATOM 563 CG LYS A 38 -13.344 1.562 -3.020 1.00 0.00 C ATOM 564 CD LYS A 38 -12.745 1.975 -4.374 1.00 0.00 C ATOM 565 CE LYS A 38 -13.630 1.484 -5.538 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.252 0.083 -5.883 1.00 0.00 N ATOM 0 H LYS A 38 -11.896 0.285 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.757 0.163 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.501 -0.421 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.190 -0.323 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.328 2.013 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.719 1.932 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.648 3.060 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.742 1.561 -4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.682 1.531 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.503 2.132 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.048 0.019 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.407 -0.192 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.037 -0.557 -5.647 1.00 0.00 H new ATOM 580 N ASN A 39 -13.113 -2.691 -1.492 1.00 0.00 N ATOM 581 CA ASN A 39 -13.301 -4.178 -1.471 1.00 0.00 C ATOM 582 C ASN A 39 -13.378 -4.662 -0.023 1.00 0.00 C ATOM 583 O ASN A 39 -13.411 -5.847 0.243 1.00 0.00 O ATOM 584 CB ASN A 39 -12.110 -4.846 -2.168 1.00 0.00 C ATOM 585 CG ASN A 39 -12.095 -4.469 -3.653 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.152 -3.928 -4.195 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -11.104 -4.669 -4.329 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.141 -2.383 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.224 -4.438 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.179 -4.533 -1.695 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.175 -5.929 -2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.276 -5.092 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.100 -4.414 -5.317 1.00 0.00 H new ATOM 594 N ASP A 40 -13.406 -3.751 0.918 1.00 0.00 N ATOM 595 CA ASP A 40 -13.481 -4.135 2.365 1.00 0.00 C ATOM 596 C ASP A 40 -14.336 -3.094 3.111 1.00 0.00 C ATOM 597 O ASP A 40 -13.814 -2.212 3.759 1.00 0.00 O ATOM 598 CB ASP A 40 -12.058 -4.162 2.955 1.00 0.00 C ATOM 599 CG ASP A 40 -12.064 -4.874 4.313 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.113 -4.911 4.936 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.018 -5.368 4.706 1.00 0.00 O ATOM 0 H ASP A 40 -13.380 -2.746 0.745 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.932 -5.122 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.382 -4.674 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.685 -3.145 3.071 1.00 0.00 H new ATOM 606 N PRO A 41 -15.645 -3.187 3.016 1.00 0.00 N ATOM 607 CA PRO A 41 -16.563 -2.224 3.696 1.00 0.00 C ATOM 608 C PRO A 41 -16.383 -2.242 5.222 1.00 0.00 C ATOM 609 O PRO A 41 -15.914 -3.207 5.789 1.00 0.00 O ATOM 610 CB PRO A 41 -17.985 -2.690 3.284 1.00 0.00 C ATOM 611 CG PRO A 41 -17.778 -3.572 2.082 1.00 0.00 C ATOM 612 CD PRO A 41 -16.393 -4.206 2.260 1.00 0.00 C ATOM 0 HA PRO A 41 -16.364 -1.193 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.471 -3.235 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.624 -1.840 3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.553 -4.336 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.827 -2.993 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.450 -5.149 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.923 -4.420 1.300 1.00 0.00 H new ATOM 620 N SER A 42 -16.743 -1.171 5.880 1.00 0.00 N ATOM 621 CA SER A 42 -16.591 -1.102 7.364 1.00 0.00 C ATOM 622 C SER A 42 -15.104 -1.012 7.719 1.00 0.00 C ATOM 623 O SER A 42 -14.739 -0.891 8.871 1.00 0.00 O ATOM 624 CB SER A 42 -17.219 -2.355 8.014 1.00 0.00 C ATOM 625 OG SER A 42 -16.229 -3.366 8.175 1.00 0.00 O ATOM 0 H SER A 42 -17.139 -0.335 5.450 1.00 0.00 H new ATOM 0 HA SER A 42 -17.104 -0.217 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.648 -2.097 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.034 -2.728 7.393 1.00 0.00 H new ATOM 0 HG SER A 42 -16.114 -3.848 7.330 1.00 0.00 H new ATOM 631 N PHE A 43 -14.239 -1.069 6.738 1.00 0.00 N ATOM 632 CA PHE A 43 -12.770 -0.981 7.016 1.00 0.00 C ATOM 633 C PHE A 43 -12.370 0.489 7.146 1.00 0.00 C ATOM 634 O PHE A 43 -12.770 1.322 6.357 1.00 0.00 O ATOM 635 CB PHE A 43 -11.988 -1.633 5.869 1.00 0.00 C ATOM 636 CG PHE A 43 -10.511 -1.721 6.228 1.00 0.00 C ATOM 637 CD1 PHE A 43 -10.099 -2.556 7.277 1.00 0.00 C ATOM 638 CD2 PHE A 43 -9.554 -0.976 5.518 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.741 -2.647 7.613 1.00 0.00 C ATOM 640 CE2 PHE A 43 -8.196 -1.072 5.856 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.792 -1.905 6.904 1.00 0.00 C ATOM 0 H PHE A 43 -14.486 -1.173 5.754 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.541 -1.504 7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.382 -2.630 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.114 -1.052 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.830 -3.130 7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.865 -0.329 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.428 -3.291 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.462 -0.502 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.747 -1.975 7.166 1.00 0.00 H new ATOM 651 N ASP A 44 -11.588 0.803 8.150 1.00 0.00 N ATOM 652 CA ASP A 44 -11.137 2.215 8.390 1.00 0.00 C ATOM 653 C ASP A 44 -9.598 2.264 8.353 1.00 0.00 C ATOM 654 O ASP A 44 -8.959 2.128 9.376 1.00 0.00 O ATOM 655 CB ASP A 44 -11.610 2.647 9.783 1.00 0.00 C ATOM 656 CG ASP A 44 -13.140 2.713 9.814 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.766 1.713 9.501 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.658 3.764 10.155 1.00 0.00 O ATOM 0 H ASP A 44 -11.235 0.128 8.828 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.548 2.875 7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.252 1.942 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.190 3.621 10.034 1.00 0.00 H new ATOM 663 N PRO A 45 -8.995 2.455 7.195 1.00 0.00 N ATOM 664 CA PRO A 45 -7.504 2.513 7.081 1.00 0.00 C ATOM 665 C PRO A 45 -6.931 3.559 8.037 1.00 0.00 C ATOM 666 O PRO A 45 -5.860 3.415 8.589 1.00 0.00 O ATOM 667 CB PRO A 45 -7.252 2.927 5.610 1.00 0.00 C ATOM 668 CG PRO A 45 -8.495 2.525 4.870 1.00 0.00 C ATOM 669 CD PRO A 45 -9.651 2.637 5.884 1.00 0.00 C ATOM 0 HA PRO A 45 -7.028 1.567 7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.074 3.999 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.373 2.426 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.665 3.175 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.409 1.508 4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.148 3.605 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.411 1.876 5.709 1.00 0.00 H new ATOM 677 N ARG A 46 -7.660 4.612 8.206 1.00 0.00 N ATOM 678 CA ARG A 46 -7.230 5.720 9.082 1.00 0.00 C ATOM 679 C ARG A 46 -7.040 5.215 10.511 1.00 0.00 C ATOM 680 O ARG A 46 -6.140 5.634 11.212 1.00 0.00 O ATOM 681 CB ARG A 46 -8.336 6.773 9.040 1.00 0.00 C ATOM 682 CG ARG A 46 -8.524 7.296 7.595 1.00 0.00 C ATOM 683 CD ARG A 46 -7.313 8.141 7.157 1.00 0.00 C ATOM 684 NE ARG A 46 -6.973 9.070 8.277 1.00 0.00 N ATOM 685 CZ ARG A 46 -7.629 10.190 8.426 1.00 0.00 C ATOM 686 NH1 ARG A 46 -8.215 10.768 7.416 1.00 0.00 N ATOM 687 NH2 ARG A 46 -7.631 10.774 9.590 1.00 0.00 N ATOM 0 H ARG A 46 -8.565 4.755 7.759 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.281 6.138 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.270 6.344 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.085 7.600 9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.652 6.455 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.432 7.896 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.464 7.499 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.547 8.703 6.253 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.226 8.829 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.166 10.346 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.722 11.642 7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.125 10.357 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.139 11.649 9.721 1.00 0.00 H new ATOM 701 N ASN A 47 -7.869 4.316 10.949 1.00 0.00 N ATOM 702 CA ASN A 47 -7.717 3.788 12.330 1.00 0.00 C ATOM 703 C ASN A 47 -6.371 3.066 12.434 1.00 0.00 C ATOM 704 O ASN A 47 -5.698 3.126 13.441 1.00 0.00 O ATOM 705 CB ASN A 47 -8.853 2.808 12.630 1.00 0.00 C ATOM 706 CG ASN A 47 -10.185 3.559 12.711 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.196 4.866 12.709 1.00 0.00 O flip ATOM 708 ND2 ASN A 47 -11.232 2.947 12.770 1.00 0.00 N flip ATOM 0 H ASN A 47 -8.644 3.924 10.414 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.754 4.606 13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.902 2.046 11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.660 2.291 13.570 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.227 1.927 12.772 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.116 3.453 12.818 1.00 0.00 H new ATOM 715 N TRP A 48 -5.974 2.382 11.392 1.00 0.00 N ATOM 716 CA TRP A 48 -4.672 1.652 11.419 1.00 0.00 C ATOM 717 C TRP A 48 -3.523 2.646 11.233 1.00 0.00 C ATOM 718 O TRP A 48 -2.423 2.273 10.885 1.00 0.00 O ATOM 719 CB TRP A 48 -4.651 0.618 10.280 1.00 0.00 C ATOM 720 CG TRP A 48 -5.584 -0.506 10.601 1.00 0.00 C ATOM 721 CD1 TRP A 48 -6.897 -0.547 10.279 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.294 -1.748 11.300 1.00 0.00 C ATOM 723 NE1 TRP A 48 -7.432 -1.738 10.740 1.00 0.00 N ATOM 724 CE2 TRP A 48 -6.481 -2.513 11.377 1.00 0.00 C ATOM 725 CE3 TRP A 48 -4.124 -2.281 11.871 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -6.509 -3.761 11.998 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -4.146 -3.537 12.497 1.00 0.00 C ATOM 728 CH2 TRP A 48 -5.337 -4.276 12.561 1.00 0.00 C ATOM 0 H TRP A 48 -6.498 2.298 10.521 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.555 1.145 12.377 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.944 1.090 9.342 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.640 0.236 10.142 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.439 0.223 9.749 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.408 -2.010 10.624 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.202 -1.720 11.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.429 -4.326 12.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.242 -3.937 12.932 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.349 -5.242 13.045 1.00 0.00 H new ATOM 739 N GLY A 49 -3.769 3.910 11.468 1.00 0.00 N ATOM 740 CA GLY A 49 -2.692 4.943 11.311 1.00 0.00 C ATOM 741 C GLY A 49 -2.671 5.444 9.866 1.00 0.00 C ATOM 742 O GLY A 49 -3.108 4.771 8.955 1.00 0.00 O ATOM 0 H GLY A 49 -4.674 4.276 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.869 5.775 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.724 4.517 11.573 1.00 0.00 H new ATOM 746 N HIS A 50 -2.164 6.632 9.652 1.00 0.00 N ATOM 747 CA HIS A 50 -2.110 7.195 8.266 1.00 0.00 C ATOM 748 C HIS A 50 -0.939 6.572 7.501 1.00 0.00 C ATOM 749 O HIS A 50 0.212 6.825 7.795 1.00 0.00 O ATOM 750 CB HIS A 50 -1.908 8.710 8.352 1.00 0.00 C ATOM 751 CG HIS A 50 -1.940 9.303 6.971 1.00 0.00 C ATOM 752 ND1 HIS A 50 -0.788 9.494 6.224 1.00 0.00 N ATOM 753 CD2 HIS A 50 -2.972 9.762 6.192 1.00 0.00 C ATOM 754 CE1 HIS A 50 -1.152 10.046 5.053 1.00 0.00 C ATOM 755 NE2 HIS A 50 -2.473 10.231 4.980 1.00 0.00 N ATOM 0 H HIS A 50 -1.784 7.239 10.379 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.041 6.972 7.744 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.688 9.156 8.968 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.955 8.933 8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.014 9.760 6.476 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.460 10.308 4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.002 10.630 4.204 1.00 0.00 H new ATOM 763 N GLY A 51 -1.225 5.771 6.511 1.00 0.00 N ATOM 764 CA GLY A 51 -0.130 5.141 5.717 1.00 0.00 C ATOM 765 C GLY A 51 0.787 4.339 6.645 1.00 0.00 C ATOM 766 O GLY A 51 1.817 3.837 6.237 1.00 0.00 O ATOM 0 H GLY A 51 -2.170 5.525 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.552 4.487 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.444 5.909 5.198 1.00 0.00 H new ATOM 770 N ARG A 52 0.426 4.225 7.893 1.00 0.00 N ATOM 771 CA ARG A 52 1.279 3.472 8.856 1.00 0.00 C ATOM 772 C ARG A 52 1.309 1.995 8.452 1.00 0.00 C ATOM 773 O ARG A 52 1.974 1.181 9.062 1.00 0.00 O ATOM 774 CB ARG A 52 0.681 3.629 10.264 1.00 0.00 C ATOM 775 CG ARG A 52 1.653 3.084 11.333 1.00 0.00 C ATOM 776 CD ARG A 52 1.185 3.478 12.757 1.00 0.00 C ATOM 777 NE ARG A 52 0.100 2.548 13.230 1.00 0.00 N ATOM 778 CZ ARG A 52 -0.770 2.931 14.137 1.00 0.00 C ATOM 779 NH1 ARG A 52 -0.811 4.166 14.550 1.00 0.00 N ATOM 780 NH2 ARG A 52 -1.612 2.066 14.633 1.00 0.00 N ATOM 0 H ARG A 52 -0.426 4.622 8.289 1.00 0.00 H new ATOM 0 HA ARG A 52 2.298 3.859 8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.469 4.680 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.268 3.096 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.716 1.999 11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.654 3.475 11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.029 3.443 13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.818 4.504 12.755 1.00 0.00 H new ATOM 0 HE ARG A 52 0.039 1.607 12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.161 4.853 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.493 4.446 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.593 1.097 14.316 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.289 2.359 15.337 1.00 0.00 H new ATOM 794 N LEU A 53 0.611 1.648 7.409 1.00 0.00 N ATOM 795 CA LEU A 53 0.613 0.232 6.951 1.00 0.00 C ATOM 796 C LEU A 53 2.046 -0.136 6.541 1.00 0.00 C ATOM 797 O LEU A 53 2.506 -1.230 6.790 1.00 0.00 O ATOM 798 CB LEU A 53 -0.353 0.068 5.760 1.00 0.00 C ATOM 799 CG LEU A 53 -1.806 -0.058 6.250 1.00 0.00 C ATOM 800 CD1 LEU A 53 -2.196 1.175 7.078 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.735 -0.170 5.037 1.00 0.00 C ATOM 0 H LEU A 53 0.039 2.284 6.853 1.00 0.00 H new ATOM 0 HA LEU A 53 0.279 -0.430 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.263 0.924 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.081 -0.816 5.184 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.898 -0.946 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.226 1.073 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.535 1.258 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.104 2.070 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.767 -0.260 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.633 0.721 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.467 -1.051 4.454 1.00 0.00 H new ATOM 813 N SER A 54 2.752 0.774 5.915 1.00 0.00 N ATOM 814 CA SER A 54 4.154 0.479 5.488 1.00 0.00 C ATOM 815 C SER A 54 4.978 0.025 6.695 1.00 0.00 C ATOM 816 O SER A 54 5.874 -0.785 6.580 1.00 0.00 O ATOM 817 CB SER A 54 4.793 1.739 4.901 1.00 0.00 C ATOM 818 OG SER A 54 4.781 2.774 5.876 1.00 0.00 O ATOM 0 H SER A 54 2.417 1.709 5.682 1.00 0.00 H new ATOM 0 HA SER A 54 4.134 -0.310 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.816 1.530 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.248 2.056 4.012 1.00 0.00 H new ATOM 0 HG SER A 54 3.869 3.117 5.978 1.00 0.00 H new ATOM 824 N GLN A 55 4.686 0.545 7.855 1.00 0.00 N ATOM 825 CA GLN A 55 5.450 0.138 9.072 1.00 0.00 C ATOM 826 C GLN A 55 4.915 -1.202 9.583 1.00 0.00 C ATOM 827 O GLN A 55 5.657 -2.032 10.069 1.00 0.00 O ATOM 828 CB GLN A 55 5.274 1.203 10.157 1.00 0.00 C ATOM 829 CG GLN A 55 5.956 2.499 9.713 1.00 0.00 C ATOM 830 CD GLN A 55 5.709 3.591 10.754 1.00 0.00 C ATOM 831 OE1 GLN A 55 5.886 3.372 11.938 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.304 4.767 10.362 1.00 0.00 N ATOM 0 H GLN A 55 3.952 1.234 8.015 1.00 0.00 H new ATOM 0 HA GLN A 55 6.507 0.037 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.214 1.381 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.705 0.856 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.027 2.335 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.568 2.812 8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.156 4.951 9.370 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.136 5.503 11.048 1.00 0.00 H new ATOM 841 N MET A 56 3.631 -1.424 9.478 1.00 0.00 N ATOM 842 CA MET A 56 3.055 -2.712 9.961 1.00 0.00 C ATOM 843 C MET A 56 3.594 -3.866 9.107 1.00 0.00 C ATOM 844 O MET A 56 3.992 -4.894 9.617 1.00 0.00 O ATOM 845 CB MET A 56 1.524 -2.653 9.856 1.00 0.00 C ATOM 846 CG MET A 56 0.896 -3.869 10.550 1.00 0.00 C ATOM 847 SD MET A 56 1.096 -3.711 12.343 1.00 0.00 S ATOM 848 CE MET A 56 -0.068 -5.008 12.822 1.00 0.00 C ATOM 0 H MET A 56 2.958 -0.770 9.079 1.00 0.00 H new ATOM 0 HA MET A 56 3.339 -2.876 11.001 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.156 -1.734 10.313 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.225 -2.629 8.808 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.162 -3.940 10.296 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.370 -4.786 10.200 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.102 -5.083 13.909 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.061 -4.764 12.444 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.256 -5.961 12.403 1.00 0.00 H new ATOM 858 N VAL A 57 3.604 -3.709 7.810 1.00 0.00 N ATOM 859 CA VAL A 57 4.113 -4.807 6.932 1.00 0.00 C ATOM 860 C VAL A 57 5.620 -4.967 7.130 1.00 0.00 C ATOM 861 O VAL A 57 6.186 -6.014 6.886 1.00 0.00 O ATOM 862 CB VAL A 57 3.815 -4.470 5.469 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.303 -4.305 5.287 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.525 -3.173 5.070 1.00 0.00 C ATOM 0 H VAL A 57 3.284 -2.873 7.321 1.00 0.00 H new ATOM 0 HA VAL A 57 3.617 -5.741 7.195 1.00 0.00 H new ATOM 0 HB VAL A 57 4.177 -5.279 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.086 -4.065 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.800 -5.234 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.945 -3.499 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.305 -2.944 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.175 -2.357 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.601 -3.294 5.196 1.00 0.00 H new ATOM 874 N LYS A 58 6.269 -3.930 7.574 1.00 0.00 N ATOM 875 CA LYS A 58 7.738 -4.003 7.795 1.00 0.00 C ATOM 876 C LYS A 58 8.044 -4.962 8.955 1.00 0.00 C ATOM 877 O LYS A 58 9.143 -5.463 9.080 1.00 0.00 O ATOM 878 CB LYS A 58 8.267 -2.604 8.123 1.00 0.00 C ATOM 879 CG LYS A 58 9.797 -2.638 8.192 1.00 0.00 C ATOM 880 CD LYS A 58 10.332 -1.216 8.361 1.00 0.00 C ATOM 881 CE LYS A 58 11.861 -1.247 8.401 1.00 0.00 C ATOM 882 NZ LYS A 58 12.307 -2.043 9.578 1.00 0.00 N ATOM 0 H LYS A 58 5.843 -3.030 7.795 1.00 0.00 H new ATOM 0 HA LYS A 58 8.225 -4.375 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.943 -1.894 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.857 -2.263 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.120 -3.261 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.203 -3.085 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.992 -0.588 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.943 -0.776 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.251 -1.685 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.255 -0.233 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.096 -1.555 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.517 -2.147 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.619 -2.984 9.263 1.00 0.00 H new ATOM 896 N LYS A 59 7.084 -5.206 9.821 1.00 0.00 N ATOM 897 CA LYS A 59 7.326 -6.117 10.994 1.00 0.00 C ATOM 898 C LYS A 59 6.948 -7.561 10.641 1.00 0.00 C ATOM 899 O LYS A 59 7.222 -8.473 11.391 1.00 0.00 O ATOM 900 CB LYS A 59 6.458 -5.661 12.180 1.00 0.00 C ATOM 901 CG LYS A 59 6.727 -4.185 12.538 1.00 0.00 C ATOM 902 CD LYS A 59 8.074 -4.024 13.262 1.00 0.00 C ATOM 903 CE LYS A 59 8.262 -2.555 13.652 1.00 0.00 C ATOM 904 NZ LYS A 59 7.222 -2.168 14.649 1.00 0.00 N ATOM 0 H LYS A 59 6.144 -4.814 9.767 1.00 0.00 H new ATOM 0 HA LYS A 59 8.384 -6.074 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.404 -5.791 11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.663 -6.290 13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.725 -3.582 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.924 -3.810 13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.101 -4.655 14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.889 -4.349 12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.257 -2.403 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.188 -1.921 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.554 -1.348 15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.341 -1.921 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.045 -2.965 15.293 1.00 0.00 H new ATOM 918 N LEU A 60 6.339 -7.784 9.501 1.00 0.00 N ATOM 919 CA LEU A 60 5.970 -9.183 9.093 1.00 0.00 C ATOM 920 C LEU A 60 7.096 -9.738 8.215 1.00 0.00 C ATOM 921 O LEU A 60 7.121 -10.904 7.872 1.00 0.00 O ATOM 922 CB LEU A 60 4.638 -9.138 8.304 1.00 0.00 C ATOM 923 CG LEU A 60 3.421 -9.083 9.276 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.230 -8.382 8.603 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.998 -10.512 9.664 1.00 0.00 C ATOM 0 H LEU A 60 6.080 -7.059 8.832 1.00 0.00 H new ATOM 0 HA LEU A 60 5.841 -9.825 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.627 -8.266 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.559 -10.017 7.664 1.00 0.00 H new ATOM 0 HG LEU A 60 3.716 -8.526 10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.388 -8.351 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.513 -7.365 8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.944 -8.932 7.706 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.147 -10.468 10.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.718 -11.065 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.829 -11.017 10.156 1.00 0.00 H new ATOM 937 N ASP A 61 8.038 -8.901 7.873 1.00 0.00 N ATOM 938 CA ASP A 61 9.200 -9.342 7.042 1.00 0.00 C ATOM 939 C ASP A 61 8.730 -10.172 5.838 1.00 0.00 C ATOM 940 O ASP A 61 9.174 -11.287 5.642 1.00 0.00 O ATOM 941 CB ASP A 61 10.149 -10.186 7.908 1.00 0.00 C ATOM 942 CG ASP A 61 10.821 -9.300 8.964 1.00 0.00 C ATOM 943 OD1 ASP A 61 10.754 -8.089 8.828 1.00 0.00 O ATOM 944 OD2 ASP A 61 11.392 -9.849 9.891 1.00 0.00 O ATOM 0 H ASP A 61 8.053 -7.916 8.137 1.00 0.00 H new ATOM 0 HA ASP A 61 9.718 -8.458 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.594 -10.989 8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.906 -10.656 7.280 1.00 0.00 H new ATOM 949 N PHE A 62 7.840 -9.646 5.023 1.00 0.00 N ATOM 950 CA PHE A 62 7.360 -10.429 3.832 1.00 0.00 C ATOM 951 C PHE A 62 6.939 -9.482 2.697 1.00 0.00 C ATOM 952 O PHE A 62 6.384 -9.907 1.705 1.00 0.00 O ATOM 953 CB PHE A 62 6.197 -11.358 4.250 1.00 0.00 C ATOM 954 CG PHE A 62 4.865 -10.614 4.279 1.00 0.00 C ATOM 955 CD1 PHE A 62 4.720 -9.475 5.079 1.00 0.00 C ATOM 956 CD2 PHE A 62 3.776 -11.068 3.513 1.00 0.00 C ATOM 957 CE1 PHE A 62 3.496 -8.795 5.118 1.00 0.00 C ATOM 958 CE2 PHE A 62 2.558 -10.388 3.556 1.00 0.00 C ATOM 959 CZ PHE A 62 2.418 -9.251 4.356 1.00 0.00 C ATOM 0 H PHE A 62 7.429 -8.719 5.129 1.00 0.00 H new ATOM 0 HA PHE A 62 8.176 -11.048 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.132 -12.195 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.402 -11.777 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.553 -9.120 5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.883 -11.944 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.386 -7.917 5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.722 -10.741 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.476 -8.724 4.385 1.00 0.00 H new ATOM 969 N LEU A 63 7.220 -8.211 2.833 1.00 0.00 N ATOM 970 CA LEU A 63 6.871 -7.218 1.761 1.00 0.00 C ATOM 971 C LEU A 63 8.043 -6.246 1.583 1.00 0.00 C ATOM 972 O LEU A 63 8.757 -5.934 2.512 1.00 0.00 O ATOM 973 CB LEU A 63 5.579 -6.438 2.155 1.00 0.00 C ATOM 974 CG LEU A 63 4.306 -7.142 1.595 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.054 -6.681 2.362 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.114 -6.799 0.094 1.00 0.00 C ATOM 0 H LEU A 63 7.682 -7.810 3.649 1.00 0.00 H new ATOM 0 HA LEU A 63 6.685 -7.740 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.511 -6.366 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.634 -5.419 1.771 1.00 0.00 H new ATOM 0 HG LEU A 63 4.439 -8.217 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.175 -7.182 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.161 -6.931 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.938 -5.603 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.221 -7.298 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.003 -5.721 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.983 -7.137 -0.470 1.00 0.00 H new ATOM 988 N THR A 64 8.221 -5.757 0.387 1.00 0.00 N ATOM 989 CA THR A 64 9.318 -4.787 0.117 1.00 0.00 C ATOM 990 C THR A 64 8.767 -3.402 0.435 1.00 0.00 C ATOM 991 O THR A 64 7.758 -3.001 -0.107 1.00 0.00 O ATOM 992 CB THR A 64 9.689 -4.876 -1.369 1.00 0.00 C ATOM 993 OG1 THR A 64 10.049 -6.212 -1.682 1.00 0.00 O ATOM 994 CG2 THR A 64 10.864 -3.948 -1.685 1.00 0.00 C ATOM 0 H THR A 64 7.647 -5.991 -0.423 1.00 0.00 H new ATOM 0 HA THR A 64 10.205 -4.993 0.716 1.00 0.00 H new ATOM 0 HB THR A 64 8.830 -4.570 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.285 -6.273 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.113 -4.024 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.589 -2.920 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.728 -4.238 -1.087 1.00 0.00 H new ATOM 1002 N VAL A 65 9.403 -2.674 1.325 1.00 0.00 N ATOM 1003 CA VAL A 65 8.908 -1.310 1.706 1.00 0.00 C ATOM 1004 C VAL A 65 9.895 -0.264 1.192 1.00 0.00 C ATOM 1005 O VAL A 65 11.047 -0.245 1.576 1.00 0.00 O ATOM 1006 CB VAL A 65 8.832 -1.236 3.239 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.181 0.077 3.669 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.998 -2.409 3.764 1.00 0.00 C ATOM 0 H VAL A 65 10.251 -2.970 1.808 1.00 0.00 H new ATOM 0 HA VAL A 65 7.925 -1.123 1.274 1.00 0.00 H new ATOM 0 HB VAL A 65 9.841 -1.286 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.132 0.120 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.773 0.915 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.173 0.135 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.943 -2.358 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.992 -2.356 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.465 -3.349 3.468 1.00 0.00 H new ATOM 1018 N GLN A 66 9.452 0.614 0.326 1.00 0.00 N ATOM 1019 CA GLN A 66 10.354 1.676 -0.224 1.00 0.00 C ATOM 1020 C GLN A 66 9.539 2.955 -0.415 1.00 0.00 C ATOM 1021 O GLN A 66 8.384 2.912 -0.795 1.00 0.00 O ATOM 1022 CB GLN A 66 10.929 1.223 -1.576 1.00 0.00 C ATOM 1023 CG GLN A 66 11.923 0.075 -1.354 1.00 0.00 C ATOM 1024 CD GLN A 66 12.564 -0.335 -2.687 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.226 0.285 -3.785 1.00 0.00 O flip ATOM 1026 NE2 GLN A 66 13.387 -1.228 -2.725 1.00 0.00 N flip ATOM 0 H GLN A 66 8.495 0.641 -0.027 1.00 0.00 H new ATOM 0 HA GLN A 66 11.178 1.857 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.124 0.898 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.427 2.058 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.696 0.384 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.411 -0.779 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.652 -1.714 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.812 -1.492 -3.614 1.00 0.00 H new ATOM 1035 N GLU A 67 10.129 4.096 -0.154 1.00 0.00 N ATOM 1036 CA GLU A 67 9.392 5.390 -0.315 1.00 0.00 C ATOM 1037 C GLU A 67 9.676 5.966 -1.699 1.00 0.00 C ATOM 1038 O GLU A 67 10.718 5.729 -2.283 1.00 0.00 O ATOM 1039 CB GLU A 67 9.872 6.393 0.741 1.00 0.00 C ATOM 1040 CG GLU A 67 9.585 5.867 2.152 1.00 0.00 C ATOM 1041 CD GLU A 67 8.080 5.764 2.384 1.00 0.00 C ATOM 1042 OE1 GLU A 67 7.400 6.755 2.175 1.00 0.00 O ATOM 1043 OE2 GLU A 67 7.632 4.697 2.767 1.00 0.00 O ATOM 0 H GLU A 67 11.093 4.188 0.165 1.00 0.00 H new ATOM 0 HA GLU A 67 8.324 5.209 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.941 6.570 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.372 7.351 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.048 4.889 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.029 6.532 2.893 1.00 0.00 H new ATOM 1050 N SER A 68 8.756 6.732 -2.224 1.00 0.00 N ATOM 1051 CA SER A 68 8.944 7.353 -3.570 1.00 0.00 C ATOM 1052 C SER A 68 8.331 8.750 -3.549 1.00 0.00 C ATOM 1053 O SER A 68 7.209 8.938 -3.119 1.00 0.00 O ATOM 1054 CB SER A 68 8.237 6.507 -4.627 1.00 0.00 C ATOM 1055 OG SER A 68 8.503 7.047 -5.916 1.00 0.00 O ATOM 0 H SER A 68 7.870 6.957 -1.771 1.00 0.00 H new ATOM 0 HA SER A 68 10.006 7.411 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.583 5.475 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.163 6.494 -4.440 1.00 0.00 H new ATOM 0 HG SER A 68 8.052 6.506 -6.597 1.00 0.00 H new ATOM 1061 N ARG A 69 9.051 9.730 -4.005 1.00 0.00 N ATOM 1062 CA ARG A 69 8.504 11.113 -4.005 1.00 0.00 C ATOM 1063 C ARG A 69 7.443 11.250 -5.100 1.00 0.00 C ATOM 1064 O ARG A 69 7.642 10.865 -6.236 1.00 0.00 O ATOM 1065 CB ARG A 69 9.645 12.095 -4.238 1.00 0.00 C ATOM 1066 CG ARG A 69 10.399 11.770 -5.545 1.00 0.00 C ATOM 1067 CD ARG A 69 11.615 12.728 -5.710 1.00 0.00 C ATOM 1068 NE ARG A 69 12.922 11.985 -5.563 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.006 12.635 -5.178 1.00 0.00 C ATOM 1070 NH1 ARG A 69 13.922 13.782 -4.555 1.00 0.00 N ATOM 1071 NH2 ARG A 69 15.190 12.124 -5.360 1.00 0.00 N ATOM 0 H ARG A 69 9.995 9.635 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 69 8.035 11.329 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.251 13.110 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.337 12.060 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.740 10.735 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.727 11.872 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.574 13.206 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.559 13.522 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 69 12.968 10.985 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.008 14.190 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.771 14.269 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.289 11.211 -5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.019 12.637 -5.058 1.00 0.00 H new ATOM 1085 N ASN A 70 6.298 11.778 -4.757 1.00 0.00 N ATOM 1086 CA ASN A 70 5.202 11.938 -5.758 1.00 0.00 C ATOM 1087 C ASN A 70 4.310 13.119 -5.360 1.00 0.00 C ATOM 1088 O ASN A 70 4.223 13.485 -4.203 1.00 0.00 O ATOM 1089 CB ASN A 70 4.372 10.654 -5.799 1.00 0.00 C ATOM 1090 CG ASN A 70 5.247 9.500 -6.286 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.607 8.627 -5.520 1.00 0.00 O ATOM 1092 ND2 ASN A 70 5.611 9.459 -7.538 1.00 0.00 N ATOM 0 H ASN A 70 6.073 12.108 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 70 5.628 12.130 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.976 10.432 -4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.517 10.782 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.197 8.695 -7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.309 10.191 -8.181 1.00 0.00 H new ATOM 1099 N GLY A 71 3.644 13.712 -6.312 1.00 0.00 N ATOM 1100 CA GLY A 71 2.751 14.859 -5.994 1.00 0.00 C ATOM 1101 C GLY A 71 3.551 15.961 -5.297 1.00 0.00 C ATOM 1102 O GLY A 71 4.607 16.357 -5.751 1.00 0.00 O ATOM 0 H GLY A 71 3.680 13.451 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.302 15.246 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.934 14.529 -5.352 1.00 0.00 H new ATOM 1106 N SER A 72 3.040 16.460 -4.195 1.00 0.00 N ATOM 1107 CA SER A 72 3.732 17.552 -3.428 1.00 0.00 C ATOM 1108 C SER A 72 4.182 17.017 -2.067 1.00 0.00 C ATOM 1109 O SER A 72 4.604 17.765 -1.208 1.00 0.00 O ATOM 1110 CB SER A 72 2.750 18.707 -3.214 1.00 0.00 C ATOM 1111 OG SER A 72 2.379 19.247 -4.477 1.00 0.00 O ATOM 0 H SER A 72 2.157 16.152 -3.786 1.00 0.00 H new ATOM 0 HA SER A 72 4.601 17.898 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.866 18.355 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.208 19.479 -2.595 1.00 0.00 H new ATOM 0 HG SER A 72 1.749 19.986 -4.345 1.00 0.00 H new ATOM 1117 N LYS A 73 4.075 15.727 -1.850 1.00 0.00 N ATOM 1118 CA LYS A 73 4.478 15.136 -0.530 1.00 0.00 C ATOM 1119 C LYS A 73 5.028 13.719 -0.734 1.00 0.00 C ATOM 1120 O LYS A 73 4.692 13.040 -1.683 1.00 0.00 O ATOM 1121 CB LYS A 73 3.256 15.101 0.403 1.00 0.00 C ATOM 1122 CG LYS A 73 2.048 14.505 -0.326 1.00 0.00 C ATOM 1123 CD LYS A 73 0.834 14.509 0.606 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.381 13.940 -0.131 1.00 0.00 C ATOM 1125 NZ LYS A 73 -0.673 14.778 -1.331 1.00 0.00 N ATOM 0 H LYS A 73 3.725 15.054 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 73 5.259 15.749 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.483 14.508 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.022 16.109 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.831 15.082 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.270 13.487 -0.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.044 13.915 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.625 15.524 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.188 12.910 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.246 13.922 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.660 14.633 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.525 15.781 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.038 14.505 -2.108 1.00 0.00 H new ATOM 1139 N LEU A 74 5.881 13.277 0.155 1.00 0.00 N ATOM 1140 CA LEU A 74 6.469 11.911 0.020 1.00 0.00 C ATOM 1141 C LEU A 74 5.353 10.869 0.125 1.00 0.00 C ATOM 1142 O LEU A 74 4.477 10.969 0.962 1.00 0.00 O ATOM 1143 CB LEU A 74 7.503 11.683 1.137 1.00 0.00 C ATOM 1144 CG LEU A 74 8.196 10.314 0.991 1.00 0.00 C ATOM 1145 CD1 LEU A 74 8.960 10.219 -0.352 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.174 10.136 2.164 1.00 0.00 C ATOM 0 H LEU A 74 6.196 13.804 0.969 1.00 0.00 H new ATOM 0 HA LEU A 74 6.962 11.817 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.251 12.476 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.011 11.742 2.108 1.00 0.00 H new ATOM 0 HG LEU A 74 7.443 9.526 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.440 9.243 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.261 10.346 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.718 11.001 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.674 9.171 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.917 10.933 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.625 10.177 3.105 1.00 0.00 H new ATOM 1158 N HIS A 75 5.384 9.868 -0.727 1.00 0.00 N ATOM 1159 CA HIS A 75 4.336 8.788 -0.711 1.00 0.00 C ATOM 1160 C HIS A 75 5.014 7.430 -0.503 1.00 0.00 C ATOM 1161 O HIS A 75 6.003 7.108 -1.132 1.00 0.00 O ATOM 1162 CB HIS A 75 3.579 8.798 -2.058 1.00 0.00 C ATOM 1163 CG HIS A 75 2.460 9.808 -2.020 1.00 0.00 C ATOM 1164 ND1 HIS A 75 1.225 9.507 -1.467 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.375 11.108 -2.450 1.00 0.00 C ATOM 1166 CE1 HIS A 75 0.454 10.603 -1.582 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.106 11.609 -2.174 1.00 0.00 N ATOM 0 H HIS A 75 6.101 9.751 -1.443 1.00 0.00 H new ATOM 0 HA HIS A 75 3.630 8.964 0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.267 9.038 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.177 7.806 -2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.171 11.658 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.568 10.663 -1.238 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.750 12.543 -2.379 1.00 0.00 H new ATOM 1175 N SER A 76 4.468 6.626 0.370 1.00 0.00 N ATOM 1176 CA SER A 76 5.047 5.279 0.628 1.00 0.00 C ATOM 1177 C SER A 76 4.643 4.329 -0.505 1.00 0.00 C ATOM 1178 O SER A 76 3.656 4.541 -1.184 1.00 0.00 O ATOM 1179 CB SER A 76 4.494 4.747 1.952 1.00 0.00 C ATOM 1180 OG SER A 76 3.081 4.886 1.948 1.00 0.00 O ATOM 0 H SER A 76 3.638 6.849 0.919 1.00 0.00 H new ATOM 0 HA SER A 76 6.134 5.346 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.770 3.701 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.925 5.297 2.789 1.00 0.00 H new ATOM 0 HG SER A 76 2.819 5.581 2.587 1.00 0.00 H new ATOM 1186 N GLU A 77 5.386 3.267 -0.695 1.00 0.00 N ATOM 1187 CA GLU A 77 5.048 2.268 -1.763 1.00 0.00 C ATOM 1188 C GLU A 77 5.418 0.873 -1.255 1.00 0.00 C ATOM 1189 O GLU A 77 6.397 0.702 -0.556 1.00 0.00 O ATOM 1190 CB GLU A 77 5.837 2.561 -3.047 1.00 0.00 C ATOM 1191 CG GLU A 77 5.329 3.853 -3.694 1.00 0.00 C ATOM 1192 CD GLU A 77 6.104 4.124 -4.989 1.00 0.00 C ATOM 1193 OE1 GLU A 77 7.024 3.373 -5.279 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.750 5.068 -5.681 1.00 0.00 O ATOM 0 H GLU A 77 6.221 3.045 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 77 3.983 2.328 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.899 2.653 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.733 1.730 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.263 3.769 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.451 4.688 -3.005 1.00 0.00 H new ATOM 1201 N ILE A 78 4.642 -0.124 -1.612 1.00 0.00 N ATOM 1202 CA ILE A 78 4.930 -1.529 -1.165 1.00 0.00 C ATOM 1203 C ILE A 78 4.825 -2.476 -2.362 1.00 0.00 C ATOM 1204 O ILE A 78 4.085 -2.236 -3.294 1.00 0.00 O ATOM 1205 CB ILE A 78 3.906 -1.935 -0.095 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.485 -1.619 -0.591 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.171 -1.157 1.196 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.455 -2.200 0.383 1.00 0.00 C ATOM 0 H ILE A 78 3.814 -0.025 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 78 5.936 -1.585 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 78 3.998 -3.004 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.351 -0.541 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.335 -2.038 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.442 -1.448 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.176 -1.380 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.084 -0.088 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.450 -1.974 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.583 -3.281 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.599 -1.760 1.370 1.00 0.00 H new ATOM 1220 N ARG A 79 5.555 -3.563 -2.336 1.00 0.00 N ATOM 1221 CA ARG A 79 5.493 -4.539 -3.466 1.00 0.00 C ATOM 1222 C ARG A 79 5.906 -5.913 -2.941 1.00 0.00 C ATOM 1223 O ARG A 79 6.684 -6.023 -2.010 1.00 0.00 O ATOM 1224 CB ARG A 79 6.452 -4.098 -4.579 1.00 0.00 C ATOM 1225 CG ARG A 79 6.262 -4.982 -5.823 1.00 0.00 C ATOM 1226 CD ARG A 79 7.252 -4.552 -6.924 1.00 0.00 C ATOM 1227 NE ARG A 79 6.815 -5.114 -8.246 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.669 -5.258 -9.233 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.950 -5.097 -9.038 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.236 -5.579 -10.418 1.00 0.00 N ATOM 0 H ARG A 79 6.192 -3.816 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 79 4.482 -4.584 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.270 -3.054 -4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.482 -4.165 -4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.423 -6.029 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.238 -4.897 -6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.300 -3.464 -6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.255 -4.904 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 79 5.841 -5.388 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.298 -4.856 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.602 -5.212 -9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.238 -5.717 -10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.895 -5.692 -11.188 1.00 0.00 H new ATOM 1244 N LEU A 80 5.394 -6.960 -3.521 1.00 0.00 N ATOM 1245 CA LEU A 80 5.755 -8.324 -3.042 1.00 0.00 C ATOM 1246 C LEU A 80 7.256 -8.544 -3.276 1.00 0.00 C ATOM 1247 O LEU A 80 7.774 -8.296 -4.345 1.00 0.00 O ATOM 1248 CB LEU A 80 4.908 -9.356 -3.831 1.00 0.00 C ATOM 1249 CG LEU A 80 4.626 -10.625 -2.992 1.00 0.00 C ATOM 1250 CD1 LEU A 80 5.941 -11.247 -2.488 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.696 -10.299 -1.789 1.00 0.00 C ATOM 0 H LEU A 80 4.742 -6.932 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 80 5.550 -8.439 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.964 -8.900 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.432 -9.633 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 80 4.121 -11.346 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.720 -12.138 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.565 -11.519 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.471 -10.525 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.512 -11.207 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.174 -9.556 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.749 -9.905 -2.158 1.00 0.00 H new ATOM 1263 N ARG A 81 7.957 -9.015 -2.283 1.00 0.00 N ATOM 1264 CA ARG A 81 9.422 -9.256 -2.437 1.00 0.00 C ATOM 1265 C ARG A 81 9.659 -10.501 -3.297 1.00 0.00 C ATOM 1266 O ARG A 81 10.549 -11.287 -3.040 1.00 0.00 O ATOM 1267 CB ARG A 81 10.043 -9.454 -1.054 1.00 0.00 C ATOM 1268 CG ARG A 81 9.296 -10.548 -0.296 1.00 0.00 C ATOM 1269 CD ARG A 81 9.960 -10.748 1.059 1.00 0.00 C ATOM 1270 NE ARG A 81 9.978 -9.439 1.780 1.00 0.00 N ATOM 1271 CZ ARG A 81 10.429 -9.356 2.998 1.00 0.00 C ATOM 1272 NH1 ARG A 81 10.742 -10.434 3.660 1.00 0.00 N ATOM 1273 NH2 ARG A 81 10.550 -8.188 3.562 1.00 0.00 N ATOM 0 H ARG A 81 7.577 -9.245 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 81 9.884 -8.399 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.095 -9.723 -1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.005 -8.521 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.250 -10.270 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.311 -11.478 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.416 -11.492 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.975 -11.123 0.931 1.00 0.00 H new ATOM 0 HE ARG A 81 9.633 -8.601 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.634 -11.350 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.095 -10.362 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.292 -7.345 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.903 -8.117 4.516 1.00 0.00 H new ATOM 1287 N HIS A 82 8.861 -10.689 -4.315 1.00 0.00 N ATOM 1288 CA HIS A 82 9.023 -11.881 -5.198 1.00 0.00 C ATOM 1289 C HIS A 82 10.192 -11.653 -6.175 1.00 0.00 C ATOM 1290 O HIS A 82 11.346 -11.733 -5.804 1.00 0.00 O ATOM 1291 CB HIS A 82 7.720 -12.096 -5.977 1.00 0.00 C ATOM 1292 CG HIS A 82 7.272 -10.786 -6.568 1.00 0.00 C ATOM 1293 ND1 HIS A 82 8.040 -9.633 -6.482 1.00 0.00 N ATOM 1294 CD2 HIS A 82 6.143 -10.431 -7.261 1.00 0.00 C ATOM 1295 CE1 HIS A 82 7.367 -8.650 -7.108 1.00 0.00 C ATOM 1296 NE2 HIS A 82 6.202 -9.083 -7.600 1.00 0.00 N ATOM 0 H HIS A 82 8.098 -10.063 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 82 9.241 -12.763 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 82 7.872 -12.831 -6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.949 -12.493 -5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.330 -11.098 -7.507 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.725 -7.635 -7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.506 -8.542 -8.113 1.00 0.00 H new ATOM 1304 N ASP A 83 9.901 -11.378 -7.420 1.00 0.00 N ATOM 1305 CA ASP A 83 10.985 -11.158 -8.419 1.00 0.00 C ATOM 1306 C ASP A 83 11.801 -9.921 -8.037 1.00 0.00 C ATOM 1307 O ASP A 83 11.263 -8.886 -7.703 1.00 0.00 O ATOM 1308 CB ASP A 83 10.359 -10.953 -9.802 1.00 0.00 C ATOM 1309 CG ASP A 83 11.463 -10.773 -10.846 1.00 0.00 C ATOM 1310 OD1 ASP A 83 12.070 -11.763 -11.215 1.00 0.00 O ATOM 1311 OD2 ASP A 83 11.678 -9.648 -11.261 1.00 0.00 O ATOM 0 H ASP A 83 8.953 -11.296 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 83 11.644 -12.026 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.737 -11.810 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.709 -10.078 -9.792 1.00 0.00 H new ATOM 1316 N GLY A 84 13.103 -10.023 -8.089 1.00 0.00 N ATOM 1317 CA GLY A 84 13.962 -8.857 -7.734 1.00 0.00 C ATOM 1318 C GLY A 84 15.414 -9.312 -7.573 1.00 0.00 C ATOM 1319 O GLY A 84 16.316 -8.764 -8.177 1.00 0.00 O ATOM 0 H GLY A 84 13.609 -10.865 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.894 -8.094 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.609 -8.402 -6.808 1.00 0.00 H new ATOM 1323 N LEU A 85 15.652 -10.309 -6.763 1.00 0.00 N ATOM 1324 CA LEU A 85 17.049 -10.791 -6.565 1.00 0.00 C ATOM 1325 C LEU A 85 17.590 -11.327 -7.893 1.00 0.00 C ATOM 1326 O LEU A 85 18.652 -10.941 -8.339 1.00 0.00 O ATOM 1327 CB LEU A 85 17.038 -11.911 -5.510 1.00 0.00 C ATOM 1328 CG LEU A 85 18.444 -12.505 -5.295 1.00 0.00 C ATOM 1329 CD1 LEU A 85 19.447 -11.414 -4.867 1.00 0.00 C ATOM 1330 CD2 LEU A 85 18.351 -13.582 -4.206 1.00 0.00 C ATOM 0 H LEU A 85 14.940 -10.810 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 85 17.687 -9.975 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 85 16.661 -11.518 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 85 16.354 -12.699 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 85 18.800 -12.936 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.431 -11.861 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.506 -10.650 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.114 -10.959 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.337 -14.016 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.990 -13.133 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.660 -14.363 -4.525 1.00 0.00 H new ATOM 1342 N GLU A 86 16.851 -12.207 -8.531 1.00 0.00 N ATOM 1343 CA GLU A 86 17.287 -12.791 -9.844 1.00 0.00 C ATOM 1344 C GLU A 86 18.797 -13.107 -9.820 1.00 0.00 C ATOM 1345 O GLU A 86 19.341 -13.469 -8.796 1.00 0.00 O ATOM 1346 CB GLU A 86 16.966 -11.792 -10.965 1.00 0.00 C ATOM 1347 CG GLU A 86 15.451 -11.554 -11.026 1.00 0.00 C ATOM 1348 CD GLU A 86 14.733 -12.838 -11.453 1.00 0.00 C ATOM 1349 OE1 GLU A 86 15.054 -13.350 -12.513 1.00 0.00 O ATOM 1350 OE2 GLU A 86 13.873 -13.287 -10.710 1.00 0.00 O ATOM 0 H GLU A 86 15.952 -12.550 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 86 16.752 -13.723 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.485 -10.850 -10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.323 -12.176 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.086 -11.231 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.229 -10.753 -11.731 1.00 0.00 H new ATOM 1357 N HIS A 87 19.475 -12.977 -10.932 1.00 0.00 N ATOM 1358 CA HIS A 87 20.942 -13.270 -10.960 1.00 0.00 C ATOM 1359 C HIS A 87 21.219 -14.646 -10.343 1.00 0.00 C ATOM 1360 O HIS A 87 22.335 -14.962 -9.984 1.00 0.00 O ATOM 1361 CB HIS A 87 21.696 -12.197 -10.166 1.00 0.00 C ATOM 1362 CG HIS A 87 21.540 -10.864 -10.848 1.00 0.00 C ATOM 1363 ND1 HIS A 87 20.541 -9.969 -10.499 1.00 0.00 N ATOM 1364 CD2 HIS A 87 22.246 -10.264 -11.860 1.00 0.00 C ATOM 1365 CE1 HIS A 87 20.671 -8.890 -11.292 1.00 0.00 C ATOM 1366 NE2 HIS A 87 21.696 -9.017 -12.140 1.00 0.00 N ATOM 0 H HIS A 87 19.077 -12.680 -11.823 1.00 0.00 H new ATOM 0 HA HIS A 87 21.282 -13.268 -11.996 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.309 -12.144 -9.148 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.752 -12.458 -10.093 1.00 0.00 H new ATOM 0 HD1 HIS A 87 19.836 -10.104 -9.774 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.099 -10.694 -12.363 1.00 0.00 H new ATOM 0 HE1 HIS A 87 20.025 -8.026 -11.249 1.00 0.00 H new ATOM 1374 N HIS A 88 20.211 -15.464 -10.217 1.00 0.00 N ATOM 1375 CA HIS A 88 20.420 -16.815 -9.623 1.00 0.00 C ATOM 1376 C HIS A 88 21.323 -17.637 -10.548 1.00 0.00 C ATOM 1377 O HIS A 88 22.196 -18.353 -10.104 1.00 0.00 O ATOM 1378 CB HIS A 88 19.069 -17.522 -9.473 1.00 0.00 C ATOM 1379 CG HIS A 88 18.231 -16.814 -8.443 1.00 0.00 C ATOM 1380 ND1 HIS A 88 17.277 -15.870 -8.788 1.00 0.00 N ATOM 1381 CD2 HIS A 88 18.188 -16.907 -7.074 1.00 0.00 C ATOM 1382 CE1 HIS A 88 16.705 -15.438 -7.650 1.00 0.00 C ATOM 1383 NE2 HIS A 88 17.224 -16.037 -6.575 1.00 0.00 N ATOM 0 H HIS A 88 19.253 -15.256 -10.499 1.00 0.00 H new ATOM 0 HA HIS A 88 20.888 -16.716 -8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.548 -17.537 -10.430 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.223 -18.560 -9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.809 -17.557 -6.475 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.921 -14.696 -7.610 1.00 0.00 H new ATOM 0 HE2 HIS A 88 16.969 -15.889 -5.599 1.00 0.00 H new ATOM 1391 N HIS A 89 21.115 -17.542 -11.835 1.00 0.00 N ATOM 1392 CA HIS A 89 21.958 -18.319 -12.791 1.00 0.00 C ATOM 1393 C HIS A 89 23.369 -17.724 -12.829 1.00 0.00 C ATOM 1394 O HIS A 89 24.318 -18.371 -13.226 1.00 0.00 O ATOM 1395 CB HIS A 89 21.333 -18.251 -14.188 1.00 0.00 C ATOM 1396 CG HIS A 89 21.262 -16.818 -14.646 1.00 0.00 C ATOM 1397 ND1 HIS A 89 20.344 -15.919 -14.126 1.00 0.00 N ATOM 1398 CD2 HIS A 89 21.997 -16.112 -15.566 1.00 0.00 C ATOM 1399 CE1 HIS A 89 20.546 -14.736 -14.732 1.00 0.00 C ATOM 1400 NE2 HIS A 89 21.543 -14.798 -15.620 1.00 0.00 N ATOM 0 H HIS A 89 20.397 -16.959 -12.266 1.00 0.00 H new ATOM 0 HA HIS A 89 22.014 -19.359 -12.468 1.00 0.00 H new ATOM 0 HB2 HIS A 89 21.925 -18.838 -14.890 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.334 -18.687 -14.171 1.00 0.00 H new ATOM 0 HD2 HIS A 89 22.805 -16.516 -16.158 1.00 0.00 H new ATOM 0 HE1 HIS A 89 19.973 -13.844 -14.526 1.00 0.00 H new ATOM 0 HE2 HIS A 89 21.895 -14.044 -16.210 1.00 0.00 H new ATOM 1408 N HIS A 90 23.510 -16.493 -12.420 1.00 0.00 N ATOM 1409 CA HIS A 90 24.856 -15.844 -12.427 1.00 0.00 C ATOM 1410 C HIS A 90 25.701 -16.411 -11.285 1.00 0.00 C ATOM 1411 O HIS A 90 26.368 -15.688 -10.572 1.00 0.00 O ATOM 1412 CB HIS A 90 24.681 -14.334 -12.242 1.00 0.00 C ATOM 1413 CG HIS A 90 26.008 -13.644 -12.393 1.00 0.00 C ATOM 1414 ND1 HIS A 90 26.803 -13.326 -11.304 1.00 0.00 N ATOM 1415 CD2 HIS A 90 26.686 -13.189 -13.497 1.00 0.00 C ATOM 1416 CE1 HIS A 90 27.903 -12.708 -11.771 1.00 0.00 C ATOM 1417 NE2 HIS A 90 27.883 -12.598 -13.102 1.00 0.00 N ATOM 0 H HIS A 90 22.749 -15.905 -12.080 1.00 0.00 H new ATOM 0 HA HIS A 90 25.358 -16.041 -13.374 1.00 0.00 H new ATOM 0 HB2 HIS A 90 23.975 -13.948 -12.977 1.00 0.00 H new ATOM 0 HB3 HIS A 90 24.262 -14.125 -11.257 1.00 0.00 H new ATOM 0 HD1 HIS A 90 26.593 -13.524 -10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 90 26.343 -13.276 -14.517 1.00 0.00 H new ATOM 0 HE1 HIS A 90 28.705 -12.345 -11.145 1.00 0.00 H new ATOM 1425 N HIS A 91 25.674 -17.704 -11.103 1.00 0.00 N ATOM 1426 CA HIS A 91 26.469 -18.325 -10.004 1.00 0.00 C ATOM 1427 C HIS A 91 27.963 -18.153 -10.281 1.00 0.00 C ATOM 1428 O HIS A 91 28.737 -17.837 -9.398 1.00 0.00 O ATOM 1429 CB HIS A 91 26.134 -19.817 -9.916 1.00 0.00 C ATOM 1430 CG HIS A 91 26.891 -20.441 -8.776 1.00 0.00 C ATOM 1431 ND1 HIS A 91 26.582 -20.180 -7.452 1.00 0.00 N ATOM 1432 CD2 HIS A 91 27.945 -21.320 -8.749 1.00 0.00 C ATOM 1433 CE1 HIS A 91 27.431 -20.890 -6.689 1.00 0.00 C ATOM 1434 NE2 HIS A 91 28.285 -21.603 -7.429 1.00 0.00 N ATOM 0 H HIS A 91 25.134 -18.359 -11.669 1.00 0.00 H new ATOM 0 HA HIS A 91 26.222 -17.837 -9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 91 25.062 -19.951 -9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 91 26.392 -20.313 -10.851 1.00 0.00 H new ATOM 0 HD2 HIS A 91 28.436 -21.730 -9.619 1.00 0.00 H new ATOM 0 HE1 HIS A 91 27.424 -20.885 -5.609 1.00 0.00 H new ATOM 0 HE2 HIS A 91 29.026 -22.221 -7.098 1.00 0.00 H new ATOM 1442 N HIS A 92 28.375 -18.363 -11.499 1.00 0.00 N ATOM 1443 CA HIS A 92 29.823 -18.220 -11.842 1.00 0.00 C ATOM 1444 C HIS A 92 30.326 -16.837 -11.406 1.00 0.00 C ATOM 1445 O HIS A 92 31.422 -16.769 -10.875 1.00 0.00 O ATOM 1446 CB HIS A 92 30.007 -18.377 -13.356 1.00 0.00 C ATOM 1447 CG HIS A 92 31.476 -18.423 -13.689 1.00 0.00 C ATOM 1448 ND1 HIS A 92 32.233 -17.274 -13.860 1.00 0.00 N ATOM 1449 CD2 HIS A 92 32.339 -19.473 -13.888 1.00 0.00 C ATOM 1450 CE1 HIS A 92 33.491 -17.656 -14.149 1.00 0.00 C ATOM 1451 NE2 HIS A 92 33.610 -18.986 -14.178 1.00 0.00 N ATOM 1452 OXT HIS A 92 29.605 -15.875 -11.613 1.00 0.00 O ATOM 0 H HIS A 92 27.771 -18.629 -12.277 1.00 0.00 H new ATOM 0 HA HIS A 92 30.394 -18.990 -11.323 1.00 0.00 H new ATOM 0 HB2 HIS A 92 29.518 -19.289 -13.698 1.00 0.00 H new ATOM 0 HB3 HIS A 92 29.532 -17.546 -13.878 1.00 0.00 H new ATOM 0 HD2 HIS A 92 32.072 -20.518 -13.828 1.00 0.00 H new ATOM 0 HE1 HIS A 92 34.305 -16.971 -14.335 1.00 0.00 H new ATOM 0 HE2 HIS A 92 34.452 -19.528 -14.371 1.00 0.00 H new TER 1460 HIS A 92