USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 978 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 73 TYR OH : rot -104:sc= 1.21 USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -0.616! F(o=-3.4,f=0.59!) USER MOD Set 2.1: A 62 HIS :FLIP no HD1:sc= -1.13 F(o=-1.3,f=-0.75) USER MOD Set 2.2: A 67 TYR OH : rot 35:sc= 0.375 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 52 GLN : amide:sc= -0.0173 K(o=-0.3,f=-2!) USER MOD Set 3.3: A 54 ASN : amide:sc= -0.282 K(o=-0.3,f=-4.2!) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0026) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.572 (180deg=-5.08!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 6 GLN : amide:sc=-0.00121 K(o=-0.0012,f=-1.4) USER MOD Single : A 8 LYS NZ :NH3+ 135:sc= 0.0475 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-5!) USER MOD Single : A 10 TYR OH : rot 76:sc= 1.2 USER MOD Single : A 12 THR OG1 : rot -108:sc= -0.0523 USER MOD Single : A 13 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.8!) USER MOD Single : A 16 ASN : amide:sc= -5.5! C(o=-5.5!,f=-5.2!) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.0356 (180deg=-0.38) USER MOD Single : A 25 CYS SG : rot 10:sc= 0.579 USER MOD Single : A 39 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= 0.319 (180deg=0.182) USER MOD Single : A 53 THR OG1 : rot 18:sc= -0.652 USER MOD Single : A 55 THR OG1 : rot -129:sc= -1.36! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 145:sc= 0.367 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -25:sc= 0.576 USER MOD Single : A 65 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.07) USER MOD Single : A 72 TYR OH : rot 30:sc= -0.0354 USER MOD Single : A 75 LYS NZ :NH3+ -161:sc=-0.00674 (180deg=-0.198) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 86 ASN : amide:sc= -0.0601 K(o=-0.06,f=-1.8!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.44! C(o=-4.1!,f=-2.4!) USER MOD Single : A 89 MET CE :methyl -133:sc= 0 (180deg=-0.164) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-10!) USER MOD Single : A 96 ASN : amide:sc= -2.07 K(o=-2.1,f=-4.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.28) USER MOD Single : A 106 TYR OH : rot 180:sc= 0.00395 USER MOD Single : A 109 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 112 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.9!) USER MOD Single : A 115 HIS : no HD1:sc= -0.0679 K(o=-0.068,f=-1.1) USER MOD Single : A 116 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-4.7!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.083 X(o=-0.083,f=-0.041) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 120 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.862 -10.260 15.195 1.00 0.00 N ATOM 2 CA MET A 1 -9.582 -10.404 16.487 1.00 0.00 C ATOM 3 C MET A 1 -10.015 -9.027 16.990 1.00 0.00 C ATOM 4 O MET A 1 -9.636 -8.006 16.447 1.00 0.00 O ATOM 5 CB MET A 1 -8.655 -11.070 17.512 1.00 0.00 C ATOM 6 CG MET A 1 -8.392 -12.521 17.091 1.00 0.00 C ATOM 7 SD MET A 1 -7.325 -13.328 18.312 1.00 0.00 S ATOM 8 CE MET A 1 -5.736 -12.775 17.643 1.00 0.00 C ATOM 0 H1 MET A 1 -9.317 -10.858 14.476 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.893 -9.266 14.889 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.872 -10.555 15.315 1.00 0.00 H new ATOM 0 HA MET A 1 -10.468 -11.024 16.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.715 -10.523 17.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.110 -11.043 18.502 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.335 -13.061 17.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.920 -12.545 16.109 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.925 -13.196 18.237 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.641 -13.108 16.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.685 -11.687 17.679 1.00 0.00 H new ATOM 20 N THR A 2 -10.824 -8.996 18.025 1.00 0.00 N ATOM 21 CA THR A 2 -11.313 -7.709 18.596 1.00 0.00 C ATOM 22 C THR A 2 -11.876 -6.829 17.491 1.00 0.00 C ATOM 23 O THR A 2 -13.064 -6.825 17.218 1.00 0.00 O ATOM 24 CB THR A 2 -10.164 -6.983 19.295 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.155 -6.672 18.344 1.00 0.00 O ATOM 26 CG2 THR A 2 -9.574 -7.882 20.386 1.00 0.00 C ATOM 0 H THR A 2 -11.169 -9.828 18.503 1.00 0.00 H new ATOM 0 HA THR A 2 -12.100 -7.920 19.320 1.00 0.00 H new ATOM 0 HB THR A 2 -10.538 -6.064 19.747 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.418 -6.205 18.790 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.755 -7.362 20.883 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.347 -8.123 21.116 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.200 -8.802 19.937 1.00 0.00 H new ATOM 34 N LEU A 3 -11.022 -6.065 16.860 1.00 0.00 N ATOM 35 CA LEU A 3 -11.461 -5.150 15.773 1.00 0.00 C ATOM 36 C LEU A 3 -12.009 -5.957 14.618 1.00 0.00 C ATOM 37 O LEU A 3 -12.993 -5.601 14.001 1.00 0.00 O ATOM 38 CB LEU A 3 -10.258 -4.321 15.289 1.00 0.00 C ATOM 39 CG LEU A 3 -9.844 -3.325 16.381 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.476 -2.728 16.041 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.887 -2.199 16.465 1.00 0.00 C ATOM 0 H LEU A 3 -10.022 -6.039 17.059 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.238 -4.486 16.151 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.423 -4.979 15.048 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.516 -3.787 14.375 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.784 -3.841 17.339 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.184 -2.021 16.818 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.736 -3.526 15.980 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.532 -2.211 15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.595 -1.490 17.240 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.945 -1.685 15.506 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.861 -2.623 16.709 1.00 0.00 H new ATOM 53 N GLU A 4 -11.359 -7.057 14.307 1.00 0.00 N ATOM 54 CA GLU A 4 -11.803 -7.915 13.177 1.00 0.00 C ATOM 55 C GLU A 4 -13.221 -8.386 13.443 1.00 0.00 C ATOM 56 O GLU A 4 -14.054 -8.419 12.559 1.00 0.00 O ATOM 57 CB GLU A 4 -10.866 -9.134 13.066 1.00 0.00 C ATOM 58 CG GLU A 4 -11.265 -9.967 11.848 1.00 0.00 C ATOM 59 CD GLU A 4 -10.313 -11.153 11.674 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.258 -11.141 12.285 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.655 -12.053 10.921 1.00 0.00 O ATOM 0 H GLU A 4 -10.531 -7.394 14.799 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.773 -7.350 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.831 -8.805 12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.928 -9.739 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.287 -10.328 11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.248 -9.345 10.953 1.00 0.00 H new ATOM 68 N LEU A 5 -13.507 -8.746 14.674 1.00 0.00 N ATOM 69 CA LEU A 5 -14.871 -9.224 15.033 1.00 0.00 C ATOM 70 C LEU A 5 -15.863 -8.089 14.837 1.00 0.00 C ATOM 71 O LEU A 5 -16.938 -8.271 14.308 1.00 0.00 O ATOM 72 CB LEU A 5 -14.881 -9.653 16.513 1.00 0.00 C ATOM 73 CG LEU A 5 -14.030 -10.919 16.691 1.00 0.00 C ATOM 74 CD1 LEU A 5 -13.850 -11.214 18.184 1.00 0.00 C ATOM 75 CD2 LEU A 5 -14.728 -12.114 16.015 1.00 0.00 C ATOM 0 H LEU A 5 -12.843 -8.727 15.448 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.146 -10.069 14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.490 -8.850 17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.904 -9.842 16.840 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.054 -10.761 16.231 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.246 -12.113 18.307 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.350 -10.372 18.664 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.826 -11.367 18.645 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.121 -13.010 16.144 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.706 -12.270 16.471 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.852 -11.909 14.952 1.00 0.00 H new ATOM 87 N GLN A 6 -15.493 -6.898 15.260 1.00 0.00 N ATOM 88 CA GLN A 6 -16.388 -5.715 15.118 1.00 0.00 C ATOM 89 C GLN A 6 -16.535 -5.369 13.644 1.00 0.00 C ATOM 90 O GLN A 6 -17.581 -4.952 13.190 1.00 0.00 O ATOM 91 CB GLN A 6 -15.774 -4.520 15.872 1.00 0.00 C ATOM 92 CG GLN A 6 -15.867 -4.767 17.383 1.00 0.00 C ATOM 93 CD GLN A 6 -15.178 -3.627 18.143 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.157 -3.133 17.728 1.00 0.00 O ATOM 95 NE2 GLN A 6 -15.708 -3.190 19.259 1.00 0.00 N ATOM 0 H GLN A 6 -14.595 -6.701 15.702 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.369 -5.942 15.536 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.733 -4.387 15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.300 -3.602 15.610 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.912 -4.837 17.685 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.398 -5.718 17.634 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.570 -3.606 19.611 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.258 -2.434 19.775 1.00 0.00 H new ATOM 104 N LEU A 7 -15.471 -5.532 12.885 1.00 0.00 N ATOM 105 CA LEU A 7 -15.511 -5.206 11.434 1.00 0.00 C ATOM 106 C LEU A 7 -16.506 -6.121 10.740 1.00 0.00 C ATOM 107 O LEU A 7 -17.252 -5.705 9.878 1.00 0.00 O ATOM 108 CB LEU A 7 -14.114 -5.416 10.825 1.00 0.00 C ATOM 109 CG LEU A 7 -14.137 -5.024 9.344 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.356 -3.507 9.209 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.811 -5.414 8.684 1.00 0.00 C ATOM 0 H LEU A 7 -14.573 -5.881 13.220 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.815 -4.168 11.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.379 -4.815 11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.812 -6.458 10.932 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.953 -5.550 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.371 -3.234 8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.306 -3.234 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.546 -2.976 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.832 -5.133 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.991 -4.896 9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.665 -6.491 8.769 1.00 0.00 H new ATOM 123 N LYS A 8 -16.504 -7.386 11.097 1.00 0.00 N ATOM 124 CA LYS A 8 -17.432 -8.358 10.460 1.00 0.00 C ATOM 125 C LYS A 8 -18.858 -7.951 10.770 1.00 0.00 C ATOM 126 O LYS A 8 -19.721 -7.956 9.916 1.00 0.00 O ATOM 127 CB LYS A 8 -17.165 -9.765 11.025 1.00 0.00 C ATOM 128 CG LYS A 8 -18.056 -10.779 10.311 1.00 0.00 C ATOM 129 CD LYS A 8 -17.756 -12.189 10.826 1.00 0.00 C ATOM 130 CE LYS A 8 -18.638 -13.206 10.094 1.00 0.00 C ATOM 131 NZ LYS A 8 -18.319 -14.575 10.587 1.00 0.00 N ATOM 0 H LYS A 8 -15.891 -7.783 11.809 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.277 -8.367 9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.116 -10.029 10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.364 -9.782 12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.105 -10.536 10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.886 -10.731 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.704 -12.427 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.939 -12.241 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.691 -12.981 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.469 -13.145 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.202 -15.095 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.758 -15.080 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.774 -14.508 11.470 1.00 0.00 H new ATOM 145 N HIS A 9 -19.116 -7.596 12.008 1.00 0.00 N ATOM 146 CA HIS A 9 -20.486 -7.188 12.416 1.00 0.00 C ATOM 147 C HIS A 9 -20.850 -5.886 11.725 1.00 0.00 C ATOM 148 O HIS A 9 -21.959 -5.698 11.273 1.00 0.00 O ATOM 149 CB HIS A 9 -20.523 -6.986 13.943 1.00 0.00 C ATOM 150 CG HIS A 9 -20.325 -8.314 14.626 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.159 -9.395 14.391 1.00 0.00 N ATOM 152 CD2 HIS A 9 -19.397 -8.750 15.542 1.00 0.00 C ATOM 153 CE1 HIS A 9 -20.723 -10.419 15.148 1.00 0.00 C ATOM 154 NE2 HIS A 9 -19.651 -10.080 15.870 1.00 0.00 N ATOM 0 H HIS A 9 -18.423 -7.574 12.756 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.199 -7.962 12.133 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.744 -6.288 14.248 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.476 -6.550 14.241 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.593 -8.152 15.946 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.184 -11.396 15.169 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -19.131 -10.668 16.521 1.00 0.00 H new ATOM 162 N TYR A 10 -19.911 -4.968 11.652 1.00 0.00 N ATOM 163 CA TYR A 10 -20.171 -3.652 11.007 1.00 0.00 C ATOM 164 C TYR A 10 -20.482 -3.838 9.531 1.00 0.00 C ATOM 165 O TYR A 10 -21.449 -3.312 9.017 1.00 0.00 O ATOM 166 CB TYR A 10 -18.916 -2.770 11.154 1.00 0.00 C ATOM 167 CG TYR A 10 -19.116 -1.474 10.412 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.860 -0.442 10.996 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.565 -1.306 9.137 1.00 0.00 C ATOM 170 CE1 TYR A 10 -20.046 0.761 10.307 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.751 -0.103 8.447 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.494 0.930 9.031 1.00 0.00 C ATOM 173 OH TYR A 10 -19.676 2.117 8.352 1.00 0.00 O ATOM 0 H TYR A 10 -18.966 -5.083 12.019 1.00 0.00 H new ATOM 0 HA TYR A 10 -21.026 -3.179 11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.721 -2.571 12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -18.044 -3.294 10.762 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -20.290 -0.575 11.978 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.996 -2.105 8.685 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.615 1.560 10.759 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.322 0.029 7.465 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.091 2.805 8.733 1.00 0.00 H new ATOM 183 N ILE A 11 -19.651 -4.586 8.838 1.00 0.00 N ATOM 184 CA ILE A 11 -19.860 -4.808 7.380 1.00 0.00 C ATOM 185 C ILE A 11 -21.144 -5.587 7.159 1.00 0.00 C ATOM 186 O ILE A 11 -21.937 -5.265 6.298 1.00 0.00 O ATOM 187 CB ILE A 11 -18.668 -5.614 6.816 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.410 -4.735 6.845 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.964 -6.036 5.377 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.182 -5.570 6.468 1.00 0.00 C ATOM 0 H ILE A 11 -18.833 -5.053 9.229 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.931 -3.846 6.872 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.510 -6.505 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.522 -3.902 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.278 -4.306 7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.121 -6.604 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.860 -6.656 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.122 -5.149 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.293 -4.940 6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.066 -6.388 7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.313 -5.977 5.465 1.00 0.00 H new ATOM 202 N THR A 12 -21.347 -6.620 7.943 1.00 0.00 N ATOM 203 CA THR A 12 -22.561 -7.471 7.805 1.00 0.00 C ATOM 204 C THR A 12 -23.803 -6.680 8.199 1.00 0.00 C ATOM 205 O THR A 12 -24.845 -6.796 7.585 1.00 0.00 O ATOM 206 CB THR A 12 -22.417 -8.691 8.732 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.084 -8.262 10.046 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.305 -9.610 8.210 1.00 0.00 C ATOM 0 H THR A 12 -20.708 -6.910 8.684 1.00 0.00 H new ATOM 0 HA THR A 12 -22.663 -7.794 6.769 1.00 0.00 H new ATOM 0 HB THR A 12 -23.363 -9.232 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.148 -8.482 10.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.206 -10.472 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.555 -9.949 7.204 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.363 -9.063 8.185 1.00 0.00 H new ATOM 216 N ASN A 13 -23.701 -5.878 9.237 1.00 0.00 N ATOM 217 CA ASN A 13 -24.870 -5.078 9.709 1.00 0.00 C ATOM 218 C ASN A 13 -25.277 -4.070 8.643 1.00 0.00 C ATOM 219 O ASN A 13 -26.445 -3.854 8.394 1.00 0.00 O ATOM 220 CB ASN A 13 -24.480 -4.323 10.993 1.00 0.00 C ATOM 221 CG ASN A 13 -24.473 -5.292 12.180 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.041 -6.355 12.112 1.00 0.00 O ATOM 223 ND2 ASN A 13 -23.841 -4.957 13.274 1.00 0.00 N ATOM 0 H ASN A 13 -22.847 -5.746 9.779 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.706 -5.749 9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.496 -3.870 10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.184 -3.512 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.828 -5.594 14.071 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.361 -4.059 13.331 1.00 0.00 H new ATOM 230 N LEU A 14 -24.310 -3.431 8.017 1.00 0.00 N ATOM 231 CA LEU A 14 -24.614 -2.415 6.971 1.00 0.00 C ATOM 232 C LEU A 14 -25.267 -3.080 5.775 1.00 0.00 C ATOM 233 O LEU A 14 -26.196 -2.562 5.189 1.00 0.00 O ATOM 234 CB LEU A 14 -23.308 -1.721 6.535 1.00 0.00 C ATOM 235 CG LEU A 14 -23.592 -0.737 5.395 1.00 0.00 C ATOM 236 CD1 LEU A 14 -24.679 0.258 5.830 1.00 0.00 C ATOM 237 CD2 LEU A 14 -22.310 0.025 5.050 1.00 0.00 C ATOM 0 H LEU A 14 -23.316 -3.577 8.194 1.00 0.00 H new ATOM 0 HA LEU A 14 -25.300 -1.673 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.867 -1.193 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.581 -2.466 6.211 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.937 -1.287 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.879 0.957 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -25.592 -0.285 6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.338 0.809 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.510 0.725 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.966 0.574 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.540 -0.681 4.738 1.00 0.00 H new ATOM 249 N PHE A 15 -24.764 -4.231 5.382 1.00 0.00 N ATOM 250 CA PHE A 15 -25.327 -4.953 4.198 1.00 0.00 C ATOM 251 C PHE A 15 -26.221 -6.090 4.674 1.00 0.00 C ATOM 252 O PHE A 15 -26.633 -6.935 3.907 1.00 0.00 O ATOM 253 CB PHE A 15 -24.176 -5.507 3.348 1.00 0.00 C ATOM 254 CG PHE A 15 -23.523 -4.376 2.588 1.00 0.00 C ATOM 255 CD1 PHE A 15 -24.045 -3.976 1.352 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.404 -3.723 3.119 1.00 0.00 C ATOM 257 CE1 PHE A 15 -23.446 -2.926 0.646 1.00 0.00 C ATOM 258 CE2 PHE A 15 -21.805 -2.674 2.412 1.00 0.00 C ATOM 259 CZ PHE A 15 -22.327 -2.275 1.176 1.00 0.00 C ATOM 0 H PHE A 15 -23.982 -4.702 5.837 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.919 -4.266 3.594 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.444 -6.001 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.552 -6.258 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.910 -4.477 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -22.003 -4.029 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.848 -2.618 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.940 -2.172 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 15 -21.866 -1.464 0.631 1.00 0.00 H new ATOM 269 N ASN A 16 -26.529 -6.108 5.952 1.00 0.00 N ATOM 270 CA ASN A 16 -27.419 -7.160 6.534 1.00 0.00 C ATOM 271 C ASN A 16 -27.044 -8.518 5.987 1.00 0.00 C ATOM 272 O ASN A 16 -27.879 -9.274 5.530 1.00 0.00 O ATOM 273 CB ASN A 16 -28.880 -6.835 6.216 1.00 0.00 C ATOM 274 CG ASN A 16 -29.081 -6.733 4.701 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.881 -7.687 3.990 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.475 -5.599 4.177 1.00 0.00 N ATOM 0 H ASN A 16 -26.192 -5.422 6.627 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.293 -7.179 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -29.530 -7.609 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.163 -5.896 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.612 -5.523 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.644 -4.792 4.777 1.00 0.00 H new ATOM 283 N LEU A 17 -25.770 -8.845 6.034 1.00 0.00 N ATOM 284 CA LEU A 17 -25.301 -10.161 5.523 1.00 0.00 C ATOM 285 C LEU A 17 -25.217 -11.157 6.688 1.00 0.00 C ATOM 286 O LEU A 17 -24.961 -10.786 7.819 1.00 0.00 O ATOM 287 CB LEU A 17 -23.908 -10.015 4.898 1.00 0.00 C ATOM 288 CG LEU A 17 -23.944 -8.934 3.817 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.514 -8.600 3.380 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.746 -9.439 2.609 1.00 0.00 C ATOM 0 H LEU A 17 -25.035 -8.245 6.409 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.003 -10.520 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.179 -9.753 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.590 -10.964 4.467 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.420 -8.039 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.540 -7.829 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.947 -8.237 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.037 -9.495 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.770 -8.667 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.274 -10.336 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.764 -9.673 2.920 1.00 0.00 H new ATOM 302 N PRO A 18 -25.443 -12.407 6.408 1.00 0.00 N ATOM 303 CA PRO A 18 -25.406 -13.493 7.429 1.00 0.00 C ATOM 304 C PRO A 18 -24.049 -13.611 8.114 1.00 0.00 C ATOM 305 O PRO A 18 -23.009 -13.661 7.478 1.00 0.00 O ATOM 306 CB PRO A 18 -25.745 -14.769 6.632 1.00 0.00 C ATOM 307 CG PRO A 18 -25.457 -14.432 5.209 1.00 0.00 C ATOM 308 CD PRO A 18 -25.750 -12.950 5.068 1.00 0.00 C ATOM 0 HA PRO A 18 -26.105 -13.302 8.243 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.142 -15.613 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.789 -15.051 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -24.419 -14.651 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -26.079 -15.020 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.131 -12.490 4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.789 -12.771 4.791 1.00 0.00 H new ATOM 316 N ARG A 19 -24.059 -13.660 9.425 1.00 0.00 N ATOM 317 CA ARG A 19 -22.796 -13.769 10.211 1.00 0.00 C ATOM 318 C ARG A 19 -22.498 -15.237 10.487 1.00 0.00 C ATOM 319 O ARG A 19 -21.423 -15.593 10.929 1.00 0.00 O ATOM 320 CB ARG A 19 -22.967 -13.013 11.543 1.00 0.00 C ATOM 321 CG ARG A 19 -23.094 -11.505 11.267 1.00 0.00 C ATOM 322 CD ARG A 19 -23.282 -10.746 12.584 1.00 0.00 C ATOM 323 NE ARG A 19 -24.606 -11.079 13.182 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.693 -10.449 12.810 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.644 -9.515 11.887 1.00 0.00 N ATOM 326 NH2 ARG A 19 -26.836 -10.750 13.359 1.00 0.00 N ATOM 0 H ARG A 19 -24.907 -13.628 9.991 1.00 0.00 H new ATOM 0 HA ARG A 19 -21.969 -13.335 9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -23.853 -13.373 12.066 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.113 -13.203 12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.203 -11.144 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -23.940 -11.318 10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -22.484 -11.006 13.280 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.214 -9.673 12.407 1.00 0.00 H new ATOM 0 HE ARG A 19 -24.667 -11.809 13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -24.753 -9.274 11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.497 -9.031 11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.882 -11.474 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.684 -10.262 13.072 1.00 0.00 H new ATOM 340 N ASP A 20 -23.461 -16.102 10.241 1.00 0.00 N ATOM 341 CA ASP A 20 -23.268 -17.563 10.498 1.00 0.00 C ATOM 342 C ASP A 20 -22.571 -18.196 9.305 1.00 0.00 C ATOM 343 O ASP A 20 -22.367 -19.396 9.247 1.00 0.00 O ATOM 344 CB ASP A 20 -24.635 -18.228 10.708 1.00 0.00 C ATOM 345 CG ASP A 20 -25.556 -17.947 9.513 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.158 -17.195 8.645 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.649 -18.496 9.496 1.00 0.00 O ATOM 0 H ASP A 20 -24.378 -15.851 9.870 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.657 -17.701 11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.508 -19.303 10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.092 -17.853 11.624 1.00 0.00 H new ATOM 352 N GLU A 21 -22.191 -17.388 8.336 1.00 0.00 N ATOM 353 CA GLU A 21 -21.495 -17.912 7.119 1.00 0.00 C ATOM 354 C GLU A 21 -19.999 -17.621 7.219 1.00 0.00 C ATOM 355 O GLU A 21 -19.561 -16.477 7.250 1.00 0.00 O ATOM 356 CB GLU A 21 -22.064 -17.234 5.872 1.00 0.00 C ATOM 357 CG GLU A 21 -21.405 -17.833 4.628 1.00 0.00 C ATOM 358 CD GLU A 21 -22.006 -17.206 3.369 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.040 -16.569 3.481 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.423 -17.379 2.310 1.00 0.00 O ATOM 0 H GLU A 21 -22.337 -16.379 8.341 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.651 -18.989 7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.144 -17.373 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.883 -16.160 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.330 -17.657 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.551 -18.913 4.612 1.00 0.00 H new ATOM 367 N LYS A 22 -19.211 -18.663 7.255 1.00 0.00 N ATOM 368 CA LYS A 22 -17.732 -18.520 7.351 1.00 0.00 C ATOM 369 C LYS A 22 -17.157 -18.234 5.970 1.00 0.00 C ATOM 370 O LYS A 22 -17.508 -18.863 4.977 1.00 0.00 O ATOM 371 CB LYS A 22 -17.123 -19.816 7.901 1.00 0.00 C ATOM 372 CG LYS A 22 -15.614 -19.635 8.077 1.00 0.00 C ATOM 373 CD LYS A 22 -15.013 -20.888 8.718 1.00 0.00 C ATOM 374 CE LYS A 22 -13.510 -20.685 8.921 1.00 0.00 C ATOM 375 NZ LYS A 22 -12.838 -20.582 7.597 1.00 0.00 N ATOM 0 H LYS A 22 -19.540 -19.628 7.221 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.492 -17.695 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.583 -20.070 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.324 -20.643 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.146 -19.449 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.413 -18.764 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.496 -21.088 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.191 -21.756 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.330 -19.781 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.093 -21.517 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.821 -20.767 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.247 -21.281 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.976 -19.626 7.211 1.00 0.00 H new ATOM 389 N TRP A 23 -16.271 -17.277 5.899 1.00 0.00 N ATOM 390 CA TRP A 23 -15.646 -16.891 4.603 1.00 0.00 C ATOM 391 C TRP A 23 -14.288 -17.560 4.476 1.00 0.00 C ATOM 392 O TRP A 23 -13.848 -18.296 5.352 1.00 0.00 O ATOM 393 CB TRP A 23 -15.456 -15.369 4.549 1.00 0.00 C ATOM 394 CG TRP A 23 -16.702 -14.688 5.029 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.939 -15.239 5.035 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.856 -13.341 5.569 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.838 -14.322 5.543 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.221 -13.137 5.887 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.955 -12.287 5.812 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.675 -11.933 6.425 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.410 -11.073 6.354 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.768 -10.897 6.660 1.00 0.00 C ATOM 0 H TRP A 23 -15.949 -16.737 6.702 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.296 -17.208 3.787 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.608 -15.076 5.168 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.229 -15.057 3.530 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.183 -16.235 4.697 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.837 -14.499 5.651 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.908 -12.412 5.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.721 -11.802 6.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.710 -10.271 6.536 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.112 -9.962 7.077 1.00 0.00 H new ATOM 413 N GLU A 24 -13.623 -17.324 3.376 1.00 0.00 N ATOM 414 CA GLU A 24 -12.288 -17.948 3.121 1.00 0.00 C ATOM 415 C GLU A 24 -11.203 -16.880 3.177 1.00 0.00 C ATOM 416 O GLU A 24 -11.181 -15.935 2.399 1.00 0.00 O ATOM 417 CB GLU A 24 -12.302 -18.602 1.734 1.00 0.00 C ATOM 418 CG GLU A 24 -13.304 -19.761 1.725 1.00 0.00 C ATOM 419 CD GLU A 24 -12.830 -20.863 2.675 1.00 0.00 C ATOM 420 OE1 GLU A 24 -11.653 -20.880 2.993 1.00 0.00 O ATOM 421 OE2 GLU A 24 -13.654 -21.675 3.065 1.00 0.00 O ATOM 0 H GLU A 24 -13.954 -16.714 2.629 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.081 -18.702 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.573 -17.867 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.306 -18.966 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.289 -19.405 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.406 -20.158 0.715 1.00 0.00 H new ATOM 428 N CYS A 25 -10.299 -17.027 4.109 1.00 0.00 N ATOM 429 CA CYS A 25 -9.194 -16.048 4.288 1.00 0.00 C ATOM 430 C CYS A 25 -8.081 -16.302 3.285 1.00 0.00 C ATOM 431 O CYS A 25 -7.820 -17.429 2.876 1.00 0.00 O ATOM 432 CB CYS A 25 -8.630 -16.175 5.708 1.00 0.00 C ATOM 433 SG CYS A 25 -7.602 -17.664 5.842 1.00 0.00 S ATOM 0 H CYS A 25 -10.283 -17.805 4.768 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.589 -15.045 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.039 -15.293 5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.446 -16.222 6.429 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.410 -18.167 4.659 1.00 0.00 H new ATOM 439 N GLU A 26 -7.408 -15.252 2.895 1.00 0.00 N ATOM 440 CA GLU A 26 -6.284 -15.365 1.915 1.00 0.00 C ATOM 441 C GLU A 26 -5.104 -14.533 2.410 1.00 0.00 C ATOM 442 O GLU A 26 -5.113 -13.309 2.378 1.00 0.00 O ATOM 443 CB GLU A 26 -6.738 -14.861 0.546 1.00 0.00 C ATOM 444 CG GLU A 26 -5.607 -15.064 -0.461 1.00 0.00 C ATOM 445 CD GLU A 26 -6.069 -14.632 -1.853 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.648 -13.564 -1.962 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.834 -15.379 -2.791 1.00 0.00 O ATOM 0 H GLU A 26 -7.592 -14.303 3.220 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.982 -16.408 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.630 -15.399 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.006 -13.806 0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.733 -14.485 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.305 -16.111 -0.477 1.00 0.00 H new ATOM 454 N SER A 27 -4.077 -15.204 2.867 1.00 0.00 N ATOM 455 CA SER A 27 -2.860 -14.517 3.387 1.00 0.00 C ATOM 456 C SER A 27 -1.776 -14.516 2.310 1.00 0.00 C ATOM 457 O SER A 27 -1.395 -15.548 1.772 1.00 0.00 O ATOM 458 CB SER A 27 -2.347 -15.256 4.626 1.00 0.00 C ATOM 459 OG SER A 27 -1.110 -14.691 5.031 1.00 0.00 O ATOM 0 H SER A 27 -4.032 -16.222 2.901 1.00 0.00 H new ATOM 0 HA SER A 27 -3.109 -13.490 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.075 -15.183 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.221 -16.316 4.405 1.00 0.00 H new ATOM 0 HG SER A 27 -0.780 -15.161 5.825 1.00 0.00 H new ATOM 465 N ILE A 28 -1.280 -13.350 2.000 1.00 0.00 N ATOM 466 CA ILE A 28 -0.216 -13.208 0.967 1.00 0.00 C ATOM 467 C ILE A 28 0.558 -11.907 1.208 1.00 0.00 C ATOM 468 O ILE A 28 0.034 -10.931 1.728 1.00 0.00 O ATOM 469 CB ILE A 28 -0.846 -13.191 -0.424 1.00 0.00 C ATOM 470 CG1 ILE A 28 0.253 -13.120 -1.486 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.773 -11.977 -0.562 1.00 0.00 C ATOM 472 CD1 ILE A 28 -0.350 -13.404 -2.863 1.00 0.00 C ATOM 0 H ILE A 28 -1.574 -12.472 2.428 1.00 0.00 H new ATOM 0 HA ILE A 28 0.470 -14.052 1.034 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.427 -14.103 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.719 -12.135 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.036 -13.845 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.219 -11.971 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.561 -12.034 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.199 -11.062 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.432 -13.354 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.795 -14.399 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.117 -12.662 -3.084 1.00 0.00 H new ATOM 484 N GLU A 29 1.817 -11.890 0.845 1.00 0.00 N ATOM 485 CA GLU A 29 2.666 -10.678 1.053 1.00 0.00 C ATOM 486 C GLU A 29 2.613 -9.798 -0.182 1.00 0.00 C ATOM 487 O GLU A 29 2.920 -10.218 -1.292 1.00 0.00 O ATOM 488 CB GLU A 29 4.119 -11.098 1.311 1.00 0.00 C ATOM 489 CG GLU A 29 4.201 -11.885 2.627 1.00 0.00 C ATOM 490 CD GLU A 29 3.812 -13.346 2.386 1.00 0.00 C ATOM 491 OE1 GLU A 29 3.400 -13.656 1.281 1.00 0.00 O ATOM 492 OE2 GLU A 29 3.947 -14.131 3.308 1.00 0.00 O ATOM 0 H GLU A 29 2.298 -12.676 0.407 1.00 0.00 H new ATOM 0 HA GLU A 29 2.289 -10.125 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.483 -11.710 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.759 -10.217 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.212 -11.831 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.537 -11.440 3.369 1.00 0.00 H new ATOM 499 N GLU A 30 2.222 -8.561 -0.002 1.00 0.00 N ATOM 500 CA GLU A 30 2.125 -7.603 -1.147 1.00 0.00 C ATOM 501 C GLU A 30 2.668 -6.230 -0.742 1.00 0.00 C ATOM 502 O GLU A 30 2.624 -5.828 0.414 1.00 0.00 O ATOM 503 CB GLU A 30 0.665 -7.457 -1.571 1.00 0.00 C ATOM 504 CG GLU A 30 0.173 -8.774 -2.169 1.00 0.00 C ATOM 505 CD GLU A 30 0.882 -9.031 -3.501 1.00 0.00 C ATOM 506 OE1 GLU A 30 1.559 -8.133 -3.974 1.00 0.00 O ATOM 507 OE2 GLU A 30 0.738 -10.122 -4.023 1.00 0.00 O ATOM 0 H GLU A 30 1.962 -8.169 0.903 1.00 0.00 H new ATOM 0 HA GLU A 30 2.716 -7.991 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.052 -7.184 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.566 -6.654 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.368 -9.594 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.906 -8.735 -2.321 1.00 0.00 H new ATOM 514 N VAL A 31 3.178 -5.507 -1.706 1.00 0.00 N ATOM 515 CA VAL A 31 3.749 -4.152 -1.461 1.00 0.00 C ATOM 516 C VAL A 31 2.623 -3.159 -1.203 1.00 0.00 C ATOM 517 O VAL A 31 1.541 -3.246 -1.770 1.00 0.00 O ATOM 518 CB VAL A 31 4.562 -3.703 -2.682 1.00 0.00 C ATOM 519 CG1 VAL A 31 5.404 -2.480 -2.315 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.485 -4.841 -3.128 1.00 0.00 C ATOM 0 H VAL A 31 3.222 -5.810 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 31 4.402 -4.191 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 31 3.882 -3.445 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.981 -2.162 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.749 -1.669 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.083 -2.737 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.063 -4.522 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.164 -5.099 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.886 -5.713 -3.391 1.00 0.00 H new ATOM 530 N ALA A 32 2.870 -2.222 -0.330 1.00 0.00 N ATOM 531 CA ALA A 32 1.845 -1.206 0.032 1.00 0.00 C ATOM 532 C ALA A 32 1.453 -0.412 -1.203 1.00 0.00 C ATOM 533 O ALA A 32 0.309 -0.056 -1.387 1.00 0.00 O ATOM 534 CB ALA A 32 2.439 -0.241 1.073 1.00 0.00 C ATOM 0 H ALA A 32 3.760 -2.117 0.158 1.00 0.00 H new ATOM 0 HA ALA A 32 0.967 -1.708 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.693 0.507 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.731 -0.800 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.314 0.255 0.652 1.00 0.00 H new ATOM 540 N ASP A 33 2.410 -0.119 -2.054 1.00 0.00 N ATOM 541 CA ASP A 33 2.126 0.677 -3.283 1.00 0.00 C ATOM 542 C ASP A 33 1.361 -0.173 -4.289 1.00 0.00 C ATOM 543 O ASP A 33 0.829 0.322 -5.262 1.00 0.00 O ATOM 544 CB ASP A 33 3.461 1.125 -3.908 1.00 0.00 C ATOM 545 CG ASP A 33 4.123 2.190 -3.022 1.00 0.00 C ATOM 546 OD1 ASP A 33 3.566 3.270 -2.911 1.00 0.00 O ATOM 547 OD2 ASP A 33 5.183 1.912 -2.482 1.00 0.00 O ATOM 0 H ASP A 33 3.384 -0.402 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 33 1.524 1.547 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.126 0.268 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.288 1.527 -4.906 1.00 0.00 H new ATOM 552 N ASP A 34 1.303 -1.468 -4.062 1.00 0.00 N ATOM 553 CA ASP A 34 0.579 -2.385 -4.996 1.00 0.00 C ATOM 554 C ASP A 34 -0.844 -2.583 -4.502 1.00 0.00 C ATOM 555 O ASP A 34 -1.635 -3.284 -5.103 1.00 0.00 O ATOM 556 CB ASP A 34 1.292 -3.739 -5.034 1.00 0.00 C ATOM 557 CG ASP A 34 2.634 -3.592 -5.756 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.835 -2.573 -6.393 1.00 0.00 O ATOM 559 OD2 ASP A 34 3.436 -4.509 -5.665 1.00 0.00 O ATOM 0 H ASP A 34 1.732 -1.930 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 34 0.565 -1.951 -5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.451 -4.106 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.671 -4.474 -5.545 1.00 0.00 H new ATOM 564 N ILE A 35 -1.186 -1.967 -3.392 1.00 0.00 N ATOM 565 CA ILE A 35 -2.567 -2.102 -2.831 1.00 0.00 C ATOM 566 C ILE A 35 -3.041 -0.746 -2.316 1.00 0.00 C ATOM 567 O ILE A 35 -4.138 -0.310 -2.602 1.00 0.00 O ATOM 568 CB ILE A 35 -2.557 -3.110 -1.679 1.00 0.00 C ATOM 569 CG1 ILE A 35 -3.961 -3.207 -1.079 1.00 0.00 C ATOM 570 CG2 ILE A 35 -1.558 -2.668 -0.598 1.00 0.00 C ATOM 571 CD1 ILE A 35 -4.046 -4.425 -0.160 1.00 0.00 C ATOM 0 H ILE A 35 -0.561 -1.372 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.242 -2.452 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.254 -4.086 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.191 -2.300 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.702 -3.287 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.559 -3.392 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.559 -2.608 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.847 -1.690 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.047 -4.491 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.835 -5.328 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.316 -4.326 0.644 1.00 0.00 H new ATOM 583 N LEU A 36 -2.219 -0.067 -1.536 1.00 0.00 N ATOM 584 CA LEU A 36 -2.616 1.251 -0.979 1.00 0.00 C ATOM 585 C LEU A 36 -2.288 2.355 -1.994 1.00 0.00 C ATOM 586 O LEU A 36 -1.143 2.531 -2.371 1.00 0.00 O ATOM 587 CB LEU A 36 -1.868 1.524 0.335 1.00 0.00 C ATOM 588 CG LEU A 36 -2.573 0.793 1.495 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.558 0.477 2.595 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.682 1.688 2.063 1.00 0.00 C ATOM 0 H LEU A 36 -1.287 -0.383 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.687 1.241 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.835 1.186 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.838 2.596 0.532 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.008 -0.136 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.058 -0.040 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.771 -0.160 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.121 1.405 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.181 1.172 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.247 2.618 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.407 1.911 1.280 1.00 0.00 H new ATOM 602 N PRO A 37 -3.269 3.126 -2.375 1.00 0.00 N ATOM 603 CA PRO A 37 -3.091 4.231 -3.348 1.00 0.00 C ATOM 604 C PRO A 37 -1.917 5.138 -2.952 1.00 0.00 C ATOM 605 O PRO A 37 -1.632 5.348 -1.791 1.00 0.00 O ATOM 606 CB PRO A 37 -4.418 5.004 -3.263 1.00 0.00 C ATOM 607 CG PRO A 37 -5.432 4.003 -2.813 1.00 0.00 C ATOM 608 CD PRO A 37 -4.687 2.981 -1.972 1.00 0.00 C ATOM 0 HA PRO A 37 -2.865 3.871 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.345 5.833 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.688 5.429 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.220 4.483 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.912 3.526 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.818 3.173 -0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.051 1.971 -2.161 1.00 0.00 H new ATOM 616 N ASP A 38 -1.214 5.645 -3.939 1.00 0.00 N ATOM 617 CA ASP A 38 -0.023 6.505 -3.679 1.00 0.00 C ATOM 618 C ASP A 38 -0.394 7.609 -2.709 1.00 0.00 C ATOM 619 O ASP A 38 0.426 8.093 -1.960 1.00 0.00 O ATOM 620 CB ASP A 38 0.458 7.119 -5.006 1.00 0.00 C ATOM 621 CG ASP A 38 1.679 7.998 -4.746 1.00 0.00 C ATOM 622 OD1 ASP A 38 2.205 7.932 -3.646 1.00 0.00 O ATOM 623 OD2 ASP A 38 2.073 8.715 -5.648 1.00 0.00 O ATOM 0 H ASP A 38 -1.422 5.495 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 38 0.776 5.903 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.709 6.330 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.340 7.710 -5.456 1.00 0.00 H new ATOM 628 N GLN A 39 -1.643 8.018 -2.729 1.00 0.00 N ATOM 629 CA GLN A 39 -2.121 9.107 -1.830 1.00 0.00 C ATOM 630 C GLN A 39 -2.015 8.663 -0.377 1.00 0.00 C ATOM 631 O GLN A 39 -1.707 9.444 0.500 1.00 0.00 O ATOM 632 CB GLN A 39 -3.592 9.408 -2.164 1.00 0.00 C ATOM 633 CG GLN A 39 -4.103 10.543 -1.280 1.00 0.00 C ATOM 634 CD GLN A 39 -5.499 10.972 -1.741 1.00 0.00 C ATOM 635 OE1 GLN A 39 -5.893 10.715 -2.854 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.271 11.625 -0.910 1.00 0.00 N ATOM 0 H GLN A 39 -2.360 7.632 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.510 9.998 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.687 9.683 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.199 8.515 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.137 10.219 -0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.418 11.390 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.940 11.843 0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.204 11.916 -1.202 1.00 0.00 H new ATOM 645 N TYR A 40 -2.291 7.402 -0.103 1.00 0.00 N ATOM 646 CA TYR A 40 -2.235 6.898 1.307 1.00 0.00 C ATOM 647 C TYR A 40 -0.855 6.332 1.596 1.00 0.00 C ATOM 648 O TYR A 40 -0.601 5.813 2.669 1.00 0.00 O ATOM 649 CB TYR A 40 -3.285 5.787 1.495 1.00 0.00 C ATOM 650 CG TYR A 40 -4.651 6.411 1.662 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.004 6.989 2.888 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.550 6.438 0.590 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.267 7.572 3.048 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.813 7.020 0.751 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.168 7.597 1.977 1.00 0.00 C ATOM 656 OH TYR A 40 -8.410 8.174 2.132 1.00 0.00 O ATOM 0 H TYR A 40 -2.552 6.704 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.441 7.722 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.281 5.118 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.039 5.183 2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.303 6.985 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.270 6.010 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.546 8.003 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.514 7.024 -0.071 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.909 8.107 1.291 1.00 0.00 H new ATOM 666 N VAL A 41 0.052 6.429 0.646 1.00 0.00 N ATOM 667 CA VAL A 41 1.440 5.899 0.854 1.00 0.00 C ATOM 668 C VAL A 41 2.426 7.071 0.918 1.00 0.00 C ATOM 669 O VAL A 41 3.624 6.889 1.018 1.00 0.00 O ATOM 670 CB VAL A 41 1.822 4.978 -0.315 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.221 4.399 -0.070 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.804 3.834 -0.414 1.00 0.00 C ATOM 0 H VAL A 41 -0.112 6.854 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 41 1.476 5.336 1.786 1.00 0.00 H new ATOM 0 HB VAL A 41 1.822 5.547 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.494 3.745 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.943 5.212 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.221 3.828 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.072 3.179 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.806 3.264 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.191 4.246 -0.585 1.00 0.00 H new ATOM 682 N ARG A 42 1.926 8.285 0.865 1.00 0.00 N ATOM 683 CA ARG A 42 2.811 9.485 0.910 1.00 0.00 C ATOM 684 C ARG A 42 3.616 9.464 2.208 1.00 0.00 C ATOM 685 O ARG A 42 4.637 10.112 2.328 1.00 0.00 O ATOM 686 CB ARG A 42 1.946 10.762 0.865 1.00 0.00 C ATOM 687 CG ARG A 42 1.279 10.884 -0.514 1.00 0.00 C ATOM 688 CD ARG A 42 0.432 12.163 -0.574 1.00 0.00 C ATOM 689 NE ARG A 42 -0.726 12.040 0.356 1.00 0.00 N ATOM 690 CZ ARG A 42 -1.539 13.048 0.541 1.00 0.00 C ATOM 691 NH1 ARG A 42 -1.343 14.185 -0.089 1.00 0.00 N ATOM 692 NH2 ARG A 42 -2.546 12.930 1.358 1.00 0.00 N ATOM 0 H ARG A 42 0.930 8.493 0.792 1.00 0.00 H new ATOM 0 HA ARG A 42 3.488 9.475 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.186 10.727 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.563 11.639 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.039 10.904 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.652 10.013 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.039 13.026 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.078 12.329 -1.591 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.886 11.163 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.553 14.285 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.981 14.967 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.701 12.052 1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.180 13.716 1.503 1.00 0.00 H new ATOM 706 N LEU A 43 3.153 8.719 3.189 1.00 0.00 N ATOM 707 CA LEU A 43 3.859 8.641 4.504 1.00 0.00 C ATOM 708 C LEU A 43 5.340 8.381 4.291 1.00 0.00 C ATOM 709 O LEU A 43 6.106 9.282 4.011 1.00 0.00 O ATOM 710 CB LEU A 43 3.270 7.481 5.339 1.00 0.00 C ATOM 711 CG LEU A 43 1.960 7.920 6.004 1.00 0.00 C ATOM 712 CD1 LEU A 43 2.252 9.001 7.063 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.002 8.484 4.947 1.00 0.00 C ATOM 0 H LEU A 43 2.304 8.156 3.129 1.00 0.00 H new ATOM 0 HA LEU A 43 3.726 9.588 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.090 6.617 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.986 7.170 6.100 1.00 0.00 H new ATOM 0 HG LEU A 43 1.498 7.057 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.319 9.311 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.924 8.596 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.720 9.861 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.073 8.794 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.463 9.343 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.788 7.716 4.203 1.00 0.00 H new ATOM 725 N GLY A 44 5.755 7.143 4.440 1.00 0.00 N ATOM 726 CA GLY A 44 7.192 6.795 4.261 1.00 0.00 C ATOM 727 C GLY A 44 7.464 5.381 4.803 1.00 0.00 C ATOM 728 O GLY A 44 7.766 4.478 4.061 1.00 0.00 O ATOM 0 H GLY A 44 5.150 6.357 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.458 6.846 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.818 7.520 4.782 1.00 0.00 H new ATOM 732 N PRO A 45 7.354 5.193 6.094 1.00 0.00 N ATOM 733 CA PRO A 45 7.613 3.875 6.736 1.00 0.00 C ATOM 734 C PRO A 45 6.811 2.770 6.057 1.00 0.00 C ATOM 735 O PRO A 45 7.251 1.637 5.945 1.00 0.00 O ATOM 736 CB PRO A 45 7.130 4.066 8.187 1.00 0.00 C ATOM 737 CG PRO A 45 7.216 5.539 8.439 1.00 0.00 C ATOM 738 CD PRO A 45 6.997 6.226 7.088 1.00 0.00 C ATOM 0 HA PRO A 45 8.660 3.581 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.110 3.704 8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.754 3.510 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.462 5.854 9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.187 5.805 8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.964 6.552 6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.624 7.111 6.985 1.00 0.00 H new ATOM 746 N LEU A 46 5.624 3.099 5.606 1.00 0.00 N ATOM 747 CA LEU A 46 4.748 2.098 4.933 1.00 0.00 C ATOM 748 C LEU A 46 5.076 2.084 3.443 1.00 0.00 C ATOM 749 O LEU A 46 4.619 1.238 2.700 1.00 0.00 O ATOM 750 CB LEU A 46 3.272 2.501 5.125 1.00 0.00 C ATOM 751 CG LEU A 46 2.937 2.597 6.624 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.465 2.996 6.795 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.173 1.237 7.298 1.00 0.00 C ATOM 0 H LEU A 46 5.223 4.034 5.679 1.00 0.00 H new ATOM 0 HA LEU A 46 4.913 1.110 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.083 3.459 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.622 1.768 4.646 1.00 0.00 H new ATOM 0 HG LEU A 46 3.578 3.347 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.227 3.064 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.293 3.963 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.828 2.245 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.934 1.310 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.535 0.485 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.218 0.949 7.180 1.00 0.00 H new ATOM 765 N SER A 47 5.873 3.036 3.005 1.00 0.00 N ATOM 766 CA SER A 47 6.255 3.135 1.564 1.00 0.00 C ATOM 767 C SER A 47 7.189 1.991 1.169 1.00 0.00 C ATOM 768 O SER A 47 8.129 1.649 1.871 1.00 0.00 O ATOM 769 CB SER A 47 6.966 4.474 1.319 1.00 0.00 C ATOM 770 OG SER A 47 7.028 4.718 -0.075 1.00 0.00 O ATOM 0 H SER A 47 6.279 3.758 3.600 1.00 0.00 H new ATOM 0 HA SER A 47 5.350 3.072 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.430 5.281 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.971 4.449 1.741 1.00 0.00 H new ATOM 0 HG SER A 47 7.479 5.572 -0.238 1.00 0.00 H new ATOM 776 N ASN A 48 6.929 1.415 0.024 1.00 0.00 N ATOM 777 CA ASN A 48 7.749 0.291 -0.514 1.00 0.00 C ATOM 778 C ASN A 48 7.858 -0.816 0.516 1.00 0.00 C ATOM 779 O ASN A 48 8.557 -1.791 0.325 1.00 0.00 O ATOM 780 CB ASN A 48 9.140 0.801 -0.882 1.00 0.00 C ATOM 781 CG ASN A 48 9.052 1.703 -2.118 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.108 1.639 -2.869 1.00 0.00 O ATOM 783 ND2 ASN A 48 10.019 2.552 -2.358 1.00 0.00 N ATOM 0 H ASN A 48 6.154 1.689 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 48 7.265 -0.108 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.567 1.355 -0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.805 -0.040 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.974 3.158 -3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.817 2.608 -1.725 1.00 0.00 H new ATOM 790 N LYS A 49 7.165 -0.681 1.627 1.00 0.00 N ATOM 791 CA LYS A 49 7.236 -1.721 2.695 1.00 0.00 C ATOM 792 C LYS A 49 6.254 -2.845 2.384 1.00 0.00 C ATOM 793 O LYS A 49 5.134 -2.619 1.937 1.00 0.00 O ATOM 794 CB LYS A 49 6.898 -1.097 4.052 1.00 0.00 C ATOM 795 CG LYS A 49 7.154 -2.127 5.152 1.00 0.00 C ATOM 796 CD LYS A 49 6.853 -1.515 6.522 1.00 0.00 C ATOM 797 CE LYS A 49 7.133 -2.549 7.617 1.00 0.00 C ATOM 798 NZ LYS A 49 6.857 -1.946 8.953 1.00 0.00 N ATOM 0 H LYS A 49 6.554 0.109 1.835 1.00 0.00 H new ATOM 0 HA LYS A 49 8.247 -2.128 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.507 -0.208 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.856 -0.778 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.529 -3.005 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.191 -2.462 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.467 -0.628 6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.812 -1.194 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.509 -3.430 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.170 -2.880 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.764 -2.701 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.641 -1.316 9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.973 -1.400 8.911 1.00 0.00 H new ATOM 812 N ILE A 50 6.672 -4.061 2.612 1.00 0.00 N ATOM 813 CA ILE A 50 5.809 -5.243 2.325 1.00 0.00 C ATOM 814 C ILE A 50 4.891 -5.492 3.512 1.00 0.00 C ATOM 815 O ILE A 50 5.325 -5.804 4.614 1.00 0.00 O ATOM 816 CB ILE A 50 6.687 -6.484 2.081 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.474 -6.311 0.771 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.797 -7.724 1.982 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.428 -5.113 0.874 1.00 0.00 C ATOM 0 H ILE A 50 7.591 -4.289 2.992 1.00 0.00 H new ATOM 0 HA ILE A 50 5.212 -5.049 1.434 1.00 0.00 H new ATOM 0 HB ILE A 50 7.386 -6.602 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.040 -7.218 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.783 -6.163 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.417 -8.604 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.241 -7.848 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.098 -7.605 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.978 -5.004 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.854 -4.206 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.131 -5.277 1.691 1.00 0.00 H new ATOM 831 N LEU A 51 3.611 -5.366 3.287 1.00 0.00 N ATOM 832 CA LEU A 51 2.601 -5.584 4.366 1.00 0.00 C ATOM 833 C LEU A 51 1.865 -6.902 4.115 1.00 0.00 C ATOM 834 O LEU A 51 1.508 -7.238 2.992 1.00 0.00 O ATOM 835 CB LEU A 51 1.584 -4.429 4.371 1.00 0.00 C ATOM 836 CG LEU A 51 2.128 -3.258 5.198 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.439 -2.747 4.594 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.097 -2.123 5.221 1.00 0.00 C ATOM 0 H LEU A 51 3.214 -5.116 2.382 1.00 0.00 H new ATOM 0 HA LEU A 51 3.109 -5.622 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.386 -4.103 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.636 -4.770 4.787 1.00 0.00 H new ATOM 0 HG LEU A 51 2.317 -3.601 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.815 -1.916 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.175 -3.551 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.262 -2.410 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.485 -1.291 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.902 -1.788 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.170 -2.482 5.668 1.00 0.00 H new ATOM 850 N GLN A 52 1.629 -7.645 5.167 1.00 0.00 N ATOM 851 CA GLN A 52 0.920 -8.950 5.044 1.00 0.00 C ATOM 852 C GLN A 52 -0.555 -8.691 4.773 1.00 0.00 C ATOM 853 O GLN A 52 -1.329 -8.351 5.659 1.00 0.00 O ATOM 854 CB GLN A 52 1.080 -9.758 6.336 1.00 0.00 C ATOM 855 CG GLN A 52 0.392 -11.108 6.157 1.00 0.00 C ATOM 856 CD GLN A 52 0.719 -12.024 7.339 1.00 0.00 C ATOM 857 OE1 GLN A 52 1.662 -11.796 8.058 1.00 0.00 O ATOM 858 NE2 GLN A 52 -0.036 -13.069 7.565 1.00 0.00 N ATOM 0 H GLN A 52 1.902 -7.397 6.118 1.00 0.00 H new ATOM 0 HA GLN A 52 1.348 -9.521 4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.136 -9.900 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.641 -9.219 7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.686 -10.969 6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.719 -11.571 5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.833 -13.263 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.173 -13.689 8.347 1.00 0.00 H new ATOM 867 N THR A 53 -0.944 -8.855 3.538 1.00 0.00 N ATOM 868 CA THR A 53 -2.353 -8.623 3.129 1.00 0.00 C ATOM 869 C THR A 53 -3.213 -9.821 3.506 1.00 0.00 C ATOM 870 O THR A 53 -2.854 -10.971 3.290 1.00 0.00 O ATOM 871 CB THR A 53 -2.415 -8.417 1.607 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.595 -9.381 0.956 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.920 -7.008 1.261 1.00 0.00 C ATOM 0 H THR A 53 -0.327 -9.147 2.780 1.00 0.00 H new ATOM 0 HA THR A 53 -2.729 -7.737 3.641 1.00 0.00 H new ATOM 0 HB THR A 53 -3.445 -8.535 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.404 -10.118 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.964 -6.862 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.552 -6.269 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.891 -6.890 1.602 1.00 0.00 H new ATOM 881 N ASN A 54 -4.367 -9.552 4.054 1.00 0.00 N ATOM 882 CA ASN A 54 -5.307 -10.642 4.454 1.00 0.00 C ATOM 883 C ASN A 54 -6.698 -10.285 3.962 1.00 0.00 C ATOM 884 O ASN A 54 -7.436 -9.528 4.583 1.00 0.00 O ATOM 885 CB ASN A 54 -5.319 -10.800 5.970 1.00 0.00 C ATOM 886 CG ASN A 54 -4.031 -11.499 6.411 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.347 -12.092 5.609 1.00 0.00 O ATOM 888 ND2 ASN A 54 -3.676 -11.457 7.667 1.00 0.00 N ATOM 0 H ASN A 54 -4.705 -8.609 4.245 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.984 -11.585 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.400 -9.824 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.187 -11.381 6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.822 -11.924 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.253 -10.957 8.344 1.00 0.00 H new ATOM 895 N THR A 55 -7.068 -10.826 2.830 1.00 0.00 N ATOM 896 CA THR A 55 -8.404 -10.541 2.230 1.00 0.00 C ATOM 897 C THR A 55 -9.293 -11.773 2.319 1.00 0.00 C ATOM 898 O THR A 55 -8.896 -12.893 2.006 1.00 0.00 O ATOM 899 CB THR A 55 -8.235 -10.147 0.766 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.408 -8.997 0.694 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.604 -9.837 0.164 1.00 0.00 C ATOM 0 H THR A 55 -6.488 -11.466 2.287 1.00 0.00 H new ATOM 0 HA THR A 55 -8.869 -9.723 2.780 1.00 0.00 H new ATOM 0 HB THR A 55 -7.776 -10.964 0.209 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.844 -8.314 0.142 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.486 -9.555 -0.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.240 -10.720 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.064 -9.015 0.712 1.00 0.00 H new ATOM 909 N TYR A 56 -10.514 -11.564 2.738 1.00 0.00 N ATOM 910 CA TYR A 56 -11.494 -12.682 2.871 1.00 0.00 C ATOM 911 C TYR A 56 -12.592 -12.496 1.838 1.00 0.00 C ATOM 912 O TYR A 56 -13.056 -11.392 1.579 1.00 0.00 O ATOM 913 CB TYR A 56 -12.114 -12.665 4.269 1.00 0.00 C ATOM 914 CG TYR A 56 -11.020 -12.494 5.295 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.421 -11.239 5.484 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.617 -13.584 6.075 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.407 -11.085 6.436 1.00 0.00 C ATOM 918 CE2 TYR A 56 -9.604 -13.427 7.026 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.004 -12.176 7.215 1.00 0.00 C ATOM 920 OH TYR A 56 -8.006 -12.023 8.155 1.00 0.00 O ATOM 0 H TYR A 56 -10.879 -10.648 2.998 1.00 0.00 H new ATOM 0 HA TYR A 56 -10.986 -13.633 2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.835 -11.852 4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.657 -13.592 4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.742 -10.393 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.089 -14.547 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.935 -10.123 6.570 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.284 -14.273 7.616 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.850 -12.878 8.608 1.00 0.00 H new ATOM 930 N TYR A 57 -13.019 -13.572 1.235 1.00 0.00 N ATOM 931 CA TYR A 57 -14.089 -13.499 0.200 1.00 0.00 C ATOM 932 C TYR A 57 -15.132 -14.581 0.442 1.00 0.00 C ATOM 933 O TYR A 57 -14.835 -15.714 0.808 1.00 0.00 O ATOM 934 CB TYR A 57 -13.481 -13.665 -1.194 1.00 0.00 C ATOM 935 CG TYR A 57 -12.703 -14.964 -1.295 1.00 0.00 C ATOM 936 CD1 TYR A 57 -13.362 -16.153 -1.634 1.00 0.00 C ATOM 937 CD2 TYR A 57 -11.319 -14.973 -1.069 1.00 0.00 C ATOM 938 CE1 TYR A 57 -12.640 -17.348 -1.742 1.00 0.00 C ATOM 939 CE2 TYR A 57 -10.598 -16.169 -1.176 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.259 -17.356 -1.513 1.00 0.00 C ATOM 941 OH TYR A 57 -10.548 -18.535 -1.620 1.00 0.00 O ATOM 0 H TYR A 57 -12.667 -14.511 1.418 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.572 -12.524 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.272 -13.651 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.822 -12.824 -1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.427 -16.148 -1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.808 -14.057 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.149 -18.264 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.533 -16.175 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.602 -18.365 -1.431 1.00 0.00 H new ATOM 951 N SER A 58 -16.374 -14.226 0.236 1.00 0.00 N ATOM 952 CA SER A 58 -17.508 -15.174 0.434 1.00 0.00 C ATOM 953 C SER A 58 -18.504 -15.022 -0.720 1.00 0.00 C ATOM 954 O SER A 58 -18.445 -14.083 -1.506 1.00 0.00 O ATOM 955 CB SER A 58 -18.200 -14.876 1.762 1.00 0.00 C ATOM 956 OG SER A 58 -19.044 -15.963 2.103 1.00 0.00 O ATOM 0 H SER A 58 -16.655 -13.294 -0.069 1.00 0.00 H new ATOM 0 HA SER A 58 -17.131 -16.197 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.458 -14.717 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.783 -13.958 1.684 1.00 0.00 H new ATOM 0 HG SER A 58 -19.041 -16.087 3.075 1.00 0.00 H new ATOM 962 N ASP A 59 -19.414 -15.954 -0.833 1.00 0.00 N ATOM 963 CA ASP A 59 -20.424 -15.931 -1.931 1.00 0.00 C ATOM 964 C ASP A 59 -21.300 -14.696 -1.791 1.00 0.00 C ATOM 965 O ASP A 59 -21.601 -14.018 -2.753 1.00 0.00 O ATOM 966 CB ASP A 59 -21.321 -17.182 -1.830 1.00 0.00 C ATOM 967 CG ASP A 59 -20.539 -18.433 -2.251 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.482 -18.281 -2.836 1.00 0.00 O ATOM 969 OD2 ASP A 59 -21.021 -19.524 -1.986 1.00 0.00 O ATOM 0 H ASP A 59 -19.501 -16.746 -0.197 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.908 -15.916 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.682 -17.297 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.198 -17.062 -2.466 1.00 0.00 H new ATOM 974 N THR A 60 -21.733 -14.409 -0.583 1.00 0.00 N ATOM 975 CA THR A 60 -22.617 -13.235 -0.341 1.00 0.00 C ATOM 976 C THR A 60 -21.842 -11.949 -0.572 1.00 0.00 C ATOM 977 O THR A 60 -22.366 -10.974 -1.070 1.00 0.00 O ATOM 978 CB THR A 60 -23.113 -13.274 1.115 1.00 0.00 C ATOM 979 OG1 THR A 60 -22.003 -13.416 1.999 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.061 -14.462 1.300 1.00 0.00 C ATOM 0 H THR A 60 -21.505 -14.949 0.252 1.00 0.00 H new ATOM 0 HA THR A 60 -23.464 -13.271 -1.026 1.00 0.00 H new ATOM 0 HB THR A 60 -23.639 -12.346 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.323 -13.439 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.412 -14.490 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.913 -14.355 0.629 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.533 -15.388 1.072 1.00 0.00 H new ATOM 988 N LEU A 61 -20.579 -11.944 -0.200 1.00 0.00 N ATOM 989 CA LEU A 61 -19.725 -10.731 -0.361 1.00 0.00 C ATOM 990 C LEU A 61 -19.564 -10.390 -1.833 1.00 0.00 C ATOM 991 O LEU A 61 -19.589 -9.239 -2.222 1.00 0.00 O ATOM 992 CB LEU A 61 -18.339 -11.012 0.249 1.00 0.00 C ATOM 993 CG LEU A 61 -18.451 -11.070 1.779 1.00 0.00 C ATOM 994 CD1 LEU A 61 -17.152 -11.631 2.372 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.690 -9.653 2.326 1.00 0.00 C ATOM 0 H LEU A 61 -20.102 -12.745 0.214 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.198 -9.890 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.947 -11.955 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.636 -10.232 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.284 -11.717 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.235 -11.671 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.979 -12.635 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.318 -10.986 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.770 -9.691 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.856 -9.009 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.614 -9.253 1.908 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.375 -11.392 -2.661 1.00 0.00 N ATOM 1008 CA HIS A 62 -19.187 -11.162 -4.125 1.00 0.00 C ATOM 1009 C HIS A 62 -20.471 -10.613 -4.723 1.00 0.00 C ATOM 1010 O HIS A 62 -20.456 -9.727 -5.550 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.840 -12.495 -4.805 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.546 -12.253 -6.258 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.366 -12.176 -6.959 1.00 0.00 N flip ATOM 1014 CD2 HIS A 62 -19.552 -12.055 -7.190 1.00 0.00 C flip ATOM 1015 CE1 HIS A 62 -17.634 -11.938 -8.304 1.00 0.00 C flip ATOM 1016 NE2 HIS A 62 -18.965 -11.872 -8.388 1.00 0.00 N flip ATOM 0 H HIS A 62 -19.343 -12.371 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.380 -10.447 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.977 -12.950 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.669 -13.195 -4.702 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -20.614 -12.049 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.919 -11.830 -9.107 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -19.475 -11.703 -9.255 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.599 -11.156 -4.313 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.911 -10.698 -4.853 1.00 0.00 C ATOM 1026 C LYS A 63 -23.136 -9.247 -4.465 1.00 0.00 C ATOM 1027 O LYS A 63 -23.606 -8.446 -5.246 1.00 0.00 O ATOM 1028 CB LYS A 63 -24.037 -11.566 -4.264 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.951 -12.987 -4.837 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.068 -13.850 -4.241 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.004 -15.262 -4.831 1.00 0.00 C ATOM 1032 NZ LYS A 63 -26.089 -16.097 -4.239 1.00 0.00 N ATOM 0 H LYS A 63 -21.659 -11.903 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.911 -10.789 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.955 -11.596 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -25.007 -11.128 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.040 -12.958 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.979 -13.424 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.967 -13.894 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.039 -13.401 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.113 -15.220 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -24.032 -15.710 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.046 -17.056 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -25.966 -16.146 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.013 -15.672 -4.457 1.00 0.00 H new ATOM 1046 N SER A 64 -22.802 -8.906 -3.238 1.00 0.00 N ATOM 1047 CA SER A 64 -22.990 -7.510 -2.743 1.00 0.00 C ATOM 1048 C SER A 64 -21.873 -6.631 -3.283 1.00 0.00 C ATOM 1049 O SER A 64 -21.869 -5.434 -3.110 1.00 0.00 O ATOM 1050 CB SER A 64 -22.947 -7.508 -1.211 1.00 0.00 C ATOM 1051 OG SER A 64 -21.639 -7.861 -0.767 1.00 0.00 O ATOM 0 H SER A 64 -22.402 -9.549 -2.554 1.00 0.00 H new ATOM 0 HA SER A 64 -23.952 -7.125 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 64 -23.217 -6.523 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 64 -23.678 -8.213 -0.816 1.00 0.00 H new ATOM 0 HG SER A 64 -21.193 -8.397 -1.456 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.921 -7.240 -3.953 1.00 0.00 N ATOM 1058 CA ASN A 65 -19.774 -6.498 -4.548 1.00 0.00 C ATOM 1059 C ASN A 65 -18.982 -5.816 -3.450 1.00 0.00 C ATOM 1060 O ASN A 65 -18.374 -4.779 -3.652 1.00 0.00 O ATOM 1061 CB ASN A 65 -20.295 -5.466 -5.552 1.00 0.00 C ATOM 1062 CG ASN A 65 -21.240 -6.150 -6.548 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -22.148 -5.535 -7.056 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -21.055 -7.408 -6.852 1.00 0.00 N ATOM 0 H ASN A 65 -20.896 -8.247 -4.113 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.119 -7.196 -5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.819 -4.666 -5.028 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.461 -5.007 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -21.676 -7.869 -7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.289 -7.929 -6.424 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.950 -6.412 -2.272 1.00 0.00 N ATOM 1072 CA ILE A 66 -18.176 -5.823 -1.131 1.00 0.00 C ATOM 1073 C ILE A 66 -17.046 -6.773 -0.771 1.00 0.00 C ATOM 1074 O ILE A 66 -17.246 -7.962 -0.557 1.00 0.00 O ATOM 1075 CB ILE A 66 -19.084 -5.634 0.087 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -20.309 -4.801 -0.317 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -18.309 -4.907 1.186 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.865 -3.494 -0.989 1.00 0.00 C ATOM 0 H ILE A 66 -19.431 -7.285 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.779 -4.852 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 66 -19.412 -6.606 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.938 -5.373 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.913 -4.579 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.952 -4.770 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -17.438 -5.498 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.984 -3.934 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.743 -2.913 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.255 -2.917 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.281 -3.723 -1.880 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.843 -6.261 -0.712 1.00 0.00 N ATOM 1091 CA TYR A 67 -14.659 -7.101 -0.390 1.00 0.00 C ATOM 1092 C TYR A 67 -13.961 -6.568 0.881 1.00 0.00 C ATOM 1093 O TYR A 67 -13.430 -5.474 0.891 1.00 0.00 O ATOM 1094 CB TYR A 67 -13.675 -7.077 -1.552 1.00 0.00 C ATOM 1095 CG TYR A 67 -14.287 -7.803 -2.728 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -14.235 -9.202 -2.791 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.907 -7.080 -3.755 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.804 -9.876 -3.880 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -15.477 -7.755 -4.843 1.00 0.00 C ATOM 1100 CZ TYR A 67 -15.423 -9.152 -4.905 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.985 -9.815 -5.977 1.00 0.00 O ATOM 0 H TYR A 67 -15.632 -5.277 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.992 -8.124 -0.217 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -13.440 -6.048 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.738 -7.552 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.756 -9.761 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.946 -6.002 -3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.765 -10.954 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.958 -7.197 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.372 -10.662 -5.671 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.952 -7.353 1.932 1.00 0.00 N ATOM 1112 CA PRO A 68 -13.307 -6.983 3.212 1.00 0.00 C ATOM 1113 C PRO A 68 -11.795 -7.138 3.131 1.00 0.00 C ATOM 1114 O PRO A 68 -11.269 -8.224 2.888 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.904 -7.966 4.220 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.258 -9.178 3.422 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.586 -8.690 2.018 1.00 0.00 C ATOM 0 HA PRO A 68 -13.482 -5.942 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.188 -8.207 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.783 -7.545 4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.429 -9.886 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.110 -9.697 3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.190 -9.366 1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.663 -8.630 1.860 1.00 0.00 H new ATOM 1125 N PHE A 69 -11.080 -6.052 3.329 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.586 -6.096 3.254 1.00 0.00 C ATOM 1127 C PHE A 69 -8.982 -5.613 4.566 1.00 0.00 C ATOM 1128 O PHE A 69 -9.307 -4.544 5.078 1.00 0.00 O ATOM 1129 CB PHE A 69 -9.113 -5.188 2.103 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.897 -5.805 1.446 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -6.739 -6.042 2.197 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -7.945 -6.173 0.097 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -5.622 -6.623 1.590 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.829 -6.752 -0.510 1.00 0.00 C ATOM 1135 CZ PHE A 69 -5.670 -6.988 0.236 1.00 0.00 C ATOM 0 H PHE A 69 -11.472 -5.134 3.540 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.263 -7.121 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.911 -5.063 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.871 -4.196 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.709 -5.776 3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.846 -6.009 -0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.722 -6.791 2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.861 -7.018 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.812 -7.451 -0.230 1.00 0.00 H new ATOM 1145 N ILE A 70 -8.084 -6.390 5.104 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.407 -6.027 6.383 1.00 0.00 C ATOM 1147 C ILE A 70 -5.897 -6.190 6.217 1.00 0.00 C ATOM 1148 O ILE A 70 -5.400 -7.181 5.688 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.893 -6.933 7.506 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.416 -6.818 7.614 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -7.246 -6.489 8.818 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.941 -7.836 8.627 1.00 0.00 C ATOM 0 H ILE A 70 -7.784 -7.279 4.704 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.643 -4.993 6.633 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.621 -7.968 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.693 -5.809 7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.873 -6.991 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.588 -7.132 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.162 -6.560 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.526 -5.457 9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.025 -7.750 8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.678 -8.842 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.495 -7.642 9.602 1.00 0.00 H new ATOM 1164 N LEU A 71 -5.154 -5.211 6.667 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.666 -5.245 6.550 1.00 0.00 C ATOM 1166 C LEU A 71 -3.045 -5.602 7.893 1.00 0.00 C ATOM 1167 O LEU A 71 -3.410 -5.087 8.947 1.00 0.00 O ATOM 1168 CB LEU A 71 -3.151 -3.869 6.112 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.909 -3.405 4.863 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.288 -2.105 4.344 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.829 -4.481 3.774 1.00 0.00 C ATOM 0 H LEU A 71 -5.524 -4.375 7.119 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.389 -5.996 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.283 -3.147 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.083 -3.920 5.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.954 -3.234 5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.826 -1.774 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.353 -1.337 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.242 -2.277 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.370 -4.144 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.785 -4.660 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.275 -5.405 4.142 1.00 0.00 H new ATOM 1183 N TYR A 72 -2.086 -6.487 7.854 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.378 -6.936 9.085 1.00 0.00 C ATOM 1185 C TYR A 72 0.129 -6.899 8.843 1.00 0.00 C ATOM 1186 O TYR A 72 0.608 -6.945 7.717 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.795 -8.370 9.429 1.00 0.00 C ATOM 1188 CG TYR A 72 -3.174 -8.354 10.041 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.349 -7.881 11.346 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -4.276 -8.813 9.310 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.624 -7.864 11.921 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.552 -8.799 9.885 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.726 -8.324 11.190 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.985 -8.304 11.754 1.00 0.00 O ATOM 0 H TYR A 72 -1.756 -6.929 6.996 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.638 -6.274 9.911 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.790 -8.988 8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.081 -8.812 10.124 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.498 -7.528 11.910 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.142 -9.178 8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.758 -7.496 12.928 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.402 -9.155 9.322 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.045 -7.564 12.394 1.00 0.00 H new ATOM 1204 N TYR A 73 0.891 -6.819 9.904 1.00 0.00 N ATOM 1205 CA TYR A 73 2.378 -6.784 9.789 1.00 0.00 C ATOM 1206 C TYR A 73 3.000 -7.524 10.979 1.00 0.00 C ATOM 1207 O TYR A 73 2.912 -7.102 12.120 1.00 0.00 O ATOM 1208 CB TYR A 73 2.861 -5.334 9.755 1.00 0.00 C ATOM 1209 CG TYR A 73 4.367 -5.304 9.778 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.091 -5.740 8.660 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.044 -4.852 10.917 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.492 -5.708 8.678 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.443 -4.819 10.933 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.167 -5.252 9.816 1.00 0.00 C ATOM 1215 OH TYR A 73 8.547 -5.216 9.832 1.00 0.00 O ATOM 0 H TYR A 73 0.538 -6.776 10.860 1.00 0.00 H new ATOM 0 HA TYR A 73 2.684 -7.276 8.865 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.491 -4.837 8.858 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.463 -4.787 10.610 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.570 -6.100 7.785 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.486 -4.529 11.784 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.051 -6.035 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.964 -4.459 11.808 1.00 0.00 H new ATOM 0 HH TYR A 73 8.888 -5.963 10.367 1.00 0.00 H new ATOM 1225 N GLN A 74 3.635 -8.638 10.692 1.00 0.00 N ATOM 1226 CA GLN A 74 4.304 -9.479 11.733 1.00 0.00 C ATOM 1227 C GLN A 74 3.294 -9.911 12.777 1.00 0.00 C ATOM 1228 O GLN A 74 2.918 -11.069 12.857 1.00 0.00 O ATOM 1229 CB GLN A 74 5.442 -8.705 12.397 1.00 0.00 C ATOM 1230 CG GLN A 74 6.570 -8.481 11.387 1.00 0.00 C ATOM 1231 CD GLN A 74 7.702 -7.683 12.045 1.00 0.00 C ATOM 1232 OE1 GLN A 74 8.738 -7.335 11.324 1.00 0.00 O flip ATOM 1233 NE2 GLN A 74 7.650 -7.380 13.213 1.00 0.00 N flip ATOM 0 H GLN A 74 3.718 -9.009 9.745 1.00 0.00 H new ATOM 0 HA GLN A 74 4.720 -10.363 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.076 -7.747 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.817 -9.257 13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.947 -9.439 11.030 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.191 -7.944 10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.843 -7.651 13.775 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.413 -6.853 13.638 1.00 0.00 H new ATOM 1242 N LYS A 75 2.843 -8.987 13.586 1.00 0.00 N ATOM 1243 CA LYS A 75 1.845 -9.317 14.642 1.00 0.00 C ATOM 1244 C LYS A 75 1.221 -8.025 15.171 1.00 0.00 C ATOM 1245 O LYS A 75 1.338 -7.684 16.337 1.00 0.00 O ATOM 1246 CB LYS A 75 2.538 -10.065 15.783 1.00 0.00 C ATOM 1247 CG LYS A 75 1.480 -10.698 16.687 1.00 0.00 C ATOM 1248 CD LYS A 75 2.159 -11.580 17.748 1.00 0.00 C ATOM 1249 CE LYS A 75 2.351 -12.999 17.202 1.00 0.00 C ATOM 1250 NZ LYS A 75 1.044 -13.716 17.197 1.00 0.00 N ATOM 0 H LYS A 75 3.128 -8.008 13.558 1.00 0.00 H new ATOM 0 HA LYS A 75 1.062 -9.949 14.223 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.197 -10.834 15.381 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.161 -9.379 16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.890 -9.920 17.171 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.791 -11.296 16.091 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.123 -11.154 18.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.552 -11.608 18.653 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.758 -12.958 16.192 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.072 -13.541 17.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.211 -14.741 17.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.524 -13.496 18.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.484 -13.412 16.375 1.00 0.00 H new ATOM 1264 N GLN A 76 0.531 -7.302 14.315 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.133 -6.037 14.744 1.00 0.00 C ATOM 1266 C GLN A 76 -1.012 -5.489 13.615 1.00 0.00 C ATOM 1267 O GLN A 76 -0.733 -5.658 12.435 1.00 0.00 O ATOM 1268 CB GLN A 76 0.911 -5.001 15.131 1.00 0.00 C ATOM 1269 CG GLN A 76 0.210 -3.720 15.571 1.00 0.00 C ATOM 1270 CD GLN A 76 1.240 -2.730 16.117 1.00 0.00 C ATOM 1271 OE1 GLN A 76 2.349 -3.098 16.427 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.909 -1.472 16.250 1.00 0.00 N ATOM 0 H GLN A 76 0.402 -7.541 13.332 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.760 -6.251 15.609 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.537 -5.382 15.938 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.569 -4.798 14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.323 -3.278 14.729 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.533 -3.945 16.336 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.026 -1.160 15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.586 -0.802 16.615 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.078 -4.828 13.986 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.026 -4.247 13.001 1.00 0.00 C ATOM 1283 C LEU A 77 -2.461 -2.954 12.433 1.00 0.00 C ATOM 1284 O LEU A 77 -2.021 -2.068 13.154 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.367 -3.961 13.691 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.371 -3.409 12.673 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.670 -4.478 11.611 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.665 -3.021 13.390 1.00 0.00 C ATOM 0 H LEU A 77 -2.334 -4.665 14.960 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.176 -4.957 12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.757 -4.874 14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.224 -3.244 14.499 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.948 -2.529 12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.384 -4.083 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.747 -4.750 11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.091 -5.361 12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.379 -2.628 12.666 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.088 -3.899 13.877 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.451 -2.258 14.139 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.485 -2.831 11.132 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.962 -1.607 10.455 1.00 0.00 C ATOM 1302 C ILE A 78 -3.130 -0.755 9.970 1.00 0.00 C ATOM 1303 O ILE A 78 -3.163 0.443 10.180 1.00 0.00 O ATOM 1304 CB ILE A 78 -1.106 -2.023 9.248 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.043 -2.919 9.733 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.543 -0.778 8.561 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.878 -2.183 10.795 1.00 0.00 C ATOM 0 H ILE A 78 -2.852 -3.541 10.498 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.358 -1.033 11.157 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.719 -2.572 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.358 -3.843 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.676 -3.198 8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.063 -1.077 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.364 -0.147 8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.074 -0.221 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.690 -2.828 11.131 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.293 -1.272 10.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.243 -1.926 11.643 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.098 -1.360 9.312 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.264 -0.580 8.805 1.00 0.00 C ATOM 1321 C ALA A 79 -6.429 -1.509 8.471 1.00 0.00 C ATOM 1322 O ALA A 79 -6.267 -2.703 8.241 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.860 0.176 7.542 1.00 0.00 C ATOM 0 H ALA A 79 -4.125 -2.359 9.108 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.576 0.119 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.712 0.746 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.040 0.857 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.539 -0.534 6.780 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.614 -0.955 8.433 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.841 -1.740 8.109 1.00 0.00 C ATOM 1331 C ILE A 80 -9.658 -0.991 7.059 1.00 0.00 C ATOM 1332 O ILE A 80 -9.878 0.213 7.147 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.688 -1.933 9.369 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.915 -2.801 10.363 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -11.002 -2.619 8.999 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.630 -2.798 11.716 1.00 0.00 C ATOM 0 H ILE A 80 -7.785 0.033 8.618 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.549 -2.716 7.722 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.904 -0.965 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.836 -3.820 9.985 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.899 -2.423 10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.606 -2.757 9.896 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.547 -2.000 8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.792 -3.590 8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.076 -3.417 12.422 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.686 -1.778 12.095 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.637 -3.197 11.596 1.00 0.00 H new ATOM 1348 N GLY A 81 -10.114 -1.695 6.056 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.918 -1.056 4.985 1.00 0.00 C ATOM 1350 C GLY A 81 -11.401 -2.093 3.980 1.00 0.00 C ATOM 1351 O GLY A 81 -10.750 -3.096 3.709 1.00 0.00 O ATOM 0 H GLY A 81 -9.959 -2.696 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.773 -0.542 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.319 -0.301 4.476 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.554 -1.845 3.406 1.00 0.00 N ATOM 1356 CA PHE A 82 -13.142 -2.771 2.396 1.00 0.00 C ATOM 1357 C PHE A 82 -13.243 -2.055 1.056 1.00 0.00 C ATOM 1358 O PHE A 82 -13.369 -0.837 0.978 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.531 -3.234 2.845 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.408 -2.053 3.205 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -16.087 -1.351 2.204 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.560 -1.678 4.548 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.908 -0.267 2.542 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.380 -0.595 4.885 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.056 0.108 3.883 1.00 0.00 C ATOM 0 H PHE A 82 -13.122 -1.021 3.602 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.500 -3.646 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.001 -3.811 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.437 -3.897 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.979 -1.644 1.170 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.044 -2.225 5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.427 0.279 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.491 -0.302 5.919 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.693 0.941 4.143 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.167 -2.806 -0.011 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.220 -2.212 -1.380 1.00 0.00 C ATOM 1377 C ILE A 83 -14.635 -2.319 -1.932 1.00 0.00 C ATOM 1378 O ILE A 83 -15.192 -3.400 -2.097 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.245 -2.958 -2.300 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.834 -2.873 -1.708 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.266 -2.309 -3.683 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.874 -3.742 -2.523 1.00 0.00 C ATOM 0 H ILE A 83 -13.069 -3.821 0.008 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.936 -1.161 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.539 -4.004 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.492 -1.838 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.845 -3.204 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.575 -2.835 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.273 -2.364 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.965 -1.265 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.873 -3.677 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.212 -4.778 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.852 -3.391 -3.555 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.220 -1.188 -2.222 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.605 -1.143 -2.766 1.00 0.00 C ATOM 1396 C ASP A 84 -16.579 -1.325 -4.280 1.00 0.00 C ATOM 1397 O ASP A 84 -15.664 -0.900 -4.970 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.249 0.212 -2.433 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.599 0.258 -0.943 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -17.598 -0.790 -0.320 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.874 1.343 -0.452 1.00 0.00 O ATOM 0 H ASP A 84 -14.784 -0.274 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.186 -1.948 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.565 1.023 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.147 0.357 -3.033 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.601 -1.956 -4.793 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.723 -2.206 -6.252 1.00 0.00 C ATOM 1408 C GLU A 85 -16.391 -2.659 -6.813 1.00 0.00 C ATOM 1409 O GLU A 85 -15.918 -3.753 -6.544 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.163 -0.925 -6.966 1.00 0.00 C ATOM 1411 CG GLU A 85 -19.593 -0.561 -6.556 1.00 0.00 C ATOM 1412 CD GLU A 85 -20.005 0.752 -7.229 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.212 1.285 -7.988 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.114 1.199 -6.979 1.00 0.00 O ATOM 0 H GLU A 85 -18.378 -2.318 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.468 -2.986 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.485 -0.109 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -18.110 -1.064 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.278 -1.359 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.657 -0.461 -5.472 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.785 -1.824 -7.620 1.00 0.00 N ATOM 1422 CA ASN A 86 -14.479 -2.160 -8.257 1.00 0.00 C ATOM 1423 C ASN A 86 -13.415 -1.178 -7.774 1.00 0.00 C ATOM 1424 O ASN A 86 -12.236 -1.362 -8.004 1.00 0.00 O ATOM 1425 CB ASN A 86 -14.638 -2.043 -9.775 1.00 0.00 C ATOM 1426 CG ASN A 86 -13.429 -2.662 -10.472 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -12.771 -3.518 -9.927 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -13.114 -2.260 -11.675 1.00 0.00 N ATOM 0 H ASN A 86 -16.151 -0.905 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.176 -3.173 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.550 -2.547 -10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.736 -0.995 -10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -12.312 -2.668 -12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.670 -1.538 -12.133 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.825 -0.125 -7.087 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.843 0.879 -6.564 1.00 0.00 C ATOM 1437 C HIS A 87 -13.382 1.514 -5.277 1.00 0.00 C ATOM 1438 O HIS A 87 -14.080 0.889 -4.493 1.00 0.00 O ATOM 1439 CB HIS A 87 -12.627 1.989 -7.609 1.00 0.00 C ATOM 1440 CG HIS A 87 -11.330 2.695 -7.329 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -10.494 2.675 -6.238 1.00 0.00 N flip ATOM 1442 CD2 HIS A 87 -10.742 3.556 -8.240 1.00 0.00 C flip ATOM 1443 CE1 HIS A 87 -9.404 3.510 -6.468 1.00 0.00 C flip ATOM 1444 NE2 HIS A 87 -9.604 4.016 -7.689 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.801 0.077 -6.869 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.900 0.373 -6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.612 1.561 -8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.454 2.699 -7.578 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.127 3.812 -9.216 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.576 3.707 -5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.971 4.671 -8.147 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.051 2.762 -5.065 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.504 3.509 -3.854 1.00 0.00 C ATOM 1454 C ASP A 88 -13.132 2.735 -2.602 1.00 0.00 C ATOM 1455 O ASP A 88 -13.894 1.922 -2.112 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.005 3.729 -3.917 1.00 0.00 C ATOM 1457 CG ASP A 88 -15.429 4.710 -2.828 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -14.956 5.835 -2.849 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -16.230 4.323 -1.993 1.00 0.00 O ATOM 0 H ASP A 88 -12.469 3.309 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.010 4.480 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.284 4.116 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.527 2.781 -3.788 1.00 0.00 H new ATOM 1464 N MET A 89 -11.956 2.984 -2.070 1.00 0.00 N ATOM 1465 CA MET A 89 -11.510 2.269 -0.839 1.00 0.00 C ATOM 1466 C MET A 89 -12.062 2.980 0.387 1.00 0.00 C ATOM 1467 O MET A 89 -11.921 4.186 0.554 1.00 0.00 O ATOM 1468 CB MET A 89 -9.980 2.250 -0.766 1.00 0.00 C ATOM 1469 CG MET A 89 -9.429 1.382 -1.898 1.00 0.00 C ATOM 1470 SD MET A 89 -7.622 1.327 -1.791 1.00 0.00 S ATOM 1471 CE MET A 89 -7.317 0.579 -3.411 1.00 0.00 C ATOM 0 H MET A 89 -11.286 3.657 -2.442 1.00 0.00 H new ATOM 0 HA MET A 89 -11.880 1.244 -0.870 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.588 3.264 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.656 1.859 0.198 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.839 0.374 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.735 1.787 -2.863 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.605 -0.240 -3.306 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.253 0.196 -3.817 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.909 1.330 -4.087 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.699 2.233 1.253 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.299 2.815 2.496 1.00 0.00 C ATOM 1483 C ASP A 90 -12.579 2.259 3.720 1.00 0.00 C ATOM 1484 O ASP A 90 -12.713 1.095 4.080 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.782 2.457 2.560 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.419 3.102 3.790 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.687 3.652 4.598 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.631 3.040 3.901 1.00 0.00 O ATOM 0 H ASP A 90 -12.832 1.227 1.151 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.191 3.899 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.287 2.799 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.902 1.375 2.602 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.813 3.095 4.374 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.054 2.675 5.590 1.00 0.00 C ATOM 1495 C PHE A 91 -11.818 3.112 6.838 1.00 0.00 C ATOM 1496 O PHE A 91 -12.277 4.240 6.955 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.674 3.334 5.593 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.814 2.681 4.540 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.081 1.529 4.853 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.760 3.215 3.246 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.284 0.920 3.877 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.963 2.605 2.269 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.230 1.454 2.583 1.00 0.00 C ATOM 0 H PHE A 91 -11.680 4.071 4.110 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.939 1.591 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.767 4.402 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.210 3.232 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.131 1.111 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.333 4.097 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.710 0.038 4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.914 3.022 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.623 0.978 1.827 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.976 2.210 7.768 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.729 2.504 9.025 1.00 0.00 C ATOM 1515 C LEU A 92 -11.746 2.726 10.152 1.00 0.00 C ATOM 1516 O LEU A 92 -12.083 3.282 11.180 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.631 1.307 9.371 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.526 0.968 8.166 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.211 2.248 7.659 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -13.673 0.353 7.033 1.00 0.00 C ATOM 0 H LEU A 92 -11.607 1.261 7.710 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.340 3.396 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.021 0.444 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.247 1.542 10.239 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.283 0.247 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.845 2.008 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.821 2.674 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.453 2.971 7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.313 0.116 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.910 1.067 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.194 -0.558 7.392 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.518 2.299 9.972 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.489 2.489 11.033 1.00 0.00 C ATOM 1534 C TYR A 93 -8.100 2.397 10.416 1.00 0.00 C ATOM 1535 O TYR A 93 -7.678 1.360 9.916 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.652 1.418 12.105 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.582 1.587 13.152 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.687 2.617 14.095 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.481 0.725 13.176 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.695 2.775 15.070 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.490 0.883 14.151 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.593 1.912 15.094 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.613 2.071 16.052 1.00 0.00 O ATOM 0 H TYR A 93 -10.187 1.826 9.131 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.616 3.471 11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.638 1.494 12.563 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.584 0.427 11.657 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.532 3.289 14.070 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.396 -0.063 12.442 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.780 3.563 15.804 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.645 0.211 14.176 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.920 1.389 15.928 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.369 3.485 10.458 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.988 3.518 9.900 1.00 0.00 C ATOM 1555 C LEU A 94 -4.993 3.730 11.030 1.00 0.00 C ATOM 1556 O LEU A 94 -5.050 4.702 11.773 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.866 4.659 8.883 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.407 4.795 8.429 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.897 3.443 7.909 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.318 5.836 7.312 1.00 0.00 C ATOM 0 H LEU A 94 -7.681 4.367 10.864 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.776 2.572 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.507 4.463 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.207 5.594 9.328 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.794 5.110 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.860 3.544 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.959 2.700 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.509 3.123 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.282 5.934 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.933 5.519 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.675 6.797 7.681 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.051 2.831 11.146 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.004 2.933 12.205 1.00 0.00 C ATOM 1574 C HIS A 95 -1.632 2.703 11.584 1.00 0.00 C ATOM 1575 O HIS A 95 -1.251 1.589 11.248 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.263 1.891 13.287 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.193 1.975 14.343 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.075 2.788 14.212 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.054 1.343 15.555 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.320 2.624 15.316 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.872 1.754 16.168 1.00 0.00 N ATOM 0 H HIS A 95 -3.962 2.015 10.540 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.036 3.926 12.653 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.243 2.055 13.735 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.276 0.893 12.848 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.755 0.634 15.970 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.616 3.133 15.491 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.507 1.455 17.072 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.874 3.758 11.447 1.00 0.00 N ATOM 1590 CA ASN A 96 0.494 3.662 10.874 1.00 0.00 C ATOM 1591 C ASN A 96 1.462 3.275 11.988 1.00 0.00 C ATOM 1592 O ASN A 96 1.115 3.271 13.161 1.00 0.00 O ATOM 1593 CB ASN A 96 0.917 5.013 10.290 1.00 0.00 C ATOM 1594 CG ASN A 96 0.130 5.294 9.007 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.465 4.411 8.437 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.112 6.510 8.520 1.00 0.00 N ATOM 0 H ASN A 96 -1.155 4.701 11.715 1.00 0.00 H new ATOM 0 HA ASN A 96 0.505 2.914 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.739 5.805 11.017 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.986 5.009 10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.403 6.708 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.613 7.258 8.998 1.00 0.00 H new ATOM 1603 N THR A 97 2.668 2.937 11.629 1.00 0.00 N ATOM 1604 CA THR A 97 3.683 2.517 12.632 1.00 0.00 C ATOM 1605 C THR A 97 3.991 3.680 13.556 1.00 0.00 C ATOM 1606 O THR A 97 4.348 3.500 14.705 1.00 0.00 O ATOM 1607 CB THR A 97 4.971 2.080 11.912 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.429 3.124 11.055 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.692 0.825 11.080 1.00 0.00 C ATOM 0 H THR A 97 2.998 2.934 10.664 1.00 0.00 H new ATOM 0 HA THR A 97 3.293 1.682 13.214 1.00 0.00 H new ATOM 0 HB THR A 97 5.738 1.864 12.655 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.250 2.839 10.602 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.605 0.516 10.570 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.353 0.022 11.735 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.920 1.042 10.342 1.00 0.00 H new ATOM 1617 N VAL A 98 3.875 4.891 13.057 1.00 0.00 N ATOM 1618 CA VAL A 98 4.176 6.096 13.888 1.00 0.00 C ATOM 1619 C VAL A 98 2.926 6.546 14.627 1.00 0.00 C ATOM 1620 O VAL A 98 2.929 6.704 15.832 1.00 0.00 O ATOM 1621 CB VAL A 98 4.651 7.233 12.973 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.943 8.474 13.817 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.919 6.794 12.241 1.00 0.00 C ATOM 0 H VAL A 98 3.582 5.094 12.101 1.00 0.00 H new ATOM 0 HA VAL A 98 4.952 5.846 14.612 1.00 0.00 H new ATOM 0 HB VAL A 98 3.876 7.469 12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.281 9.283 13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.036 8.781 14.339 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.720 8.244 14.546 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.260 7.599 11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.697 6.561 12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.705 5.909 11.642 1.00 0.00 H new ATOM 1633 N MET A 99 1.847 6.765 13.911 1.00 0.00 N ATOM 1634 CA MET A 99 0.593 7.216 14.567 1.00 0.00 C ATOM 1635 C MET A 99 -0.564 7.194 13.553 1.00 0.00 C ATOM 1636 O MET A 99 -0.371 7.412 12.371 1.00 0.00 O ATOM 1637 CB MET A 99 0.787 8.645 15.082 1.00 0.00 C ATOM 1638 CG MET A 99 1.069 9.596 13.907 1.00 0.00 C ATOM 1639 SD MET A 99 1.703 11.168 14.551 1.00 0.00 S ATOM 1640 CE MET A 99 1.275 12.205 13.125 1.00 0.00 C ATOM 0 H MET A 99 1.788 6.649 12.899 1.00 0.00 H new ATOM 0 HA MET A 99 0.356 6.549 15.396 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.104 8.971 15.618 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.614 8.675 15.791 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.794 9.149 13.228 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.158 9.765 13.334 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.584 13.232 13.316 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.786 11.832 12.237 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.197 12.175 12.963 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.761 6.932 14.014 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.964 6.897 13.146 1.00 0.00 C ATOM 1652 C PRO A 100 -3.264 8.268 12.566 1.00 0.00 C ATOM 1653 O PRO A 100 -3.015 9.289 13.183 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.096 6.415 14.068 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.634 6.709 15.461 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.106 6.658 15.428 1.00 0.00 C ATOM 0 HA PRO A 100 -2.832 6.240 12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.029 6.933 13.847 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.284 5.350 13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.983 7.689 15.787 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.032 5.978 16.165 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.669 7.401 16.095 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.734 5.685 15.747 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.786 8.309 11.361 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.086 9.616 10.700 1.00 0.00 C ATOM 1666 C LEU A 101 -5.573 9.954 10.821 1.00 0.00 C ATOM 1667 O LEU A 101 -5.951 10.902 11.484 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.708 9.528 9.212 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.241 9.096 9.083 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.866 8.962 7.604 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.336 10.148 9.746 1.00 0.00 C ATOM 0 H LEU A 101 -4.018 7.486 10.806 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.507 10.398 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.355 8.814 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.858 10.494 8.730 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.107 8.134 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.824 8.655 7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.504 8.214 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.003 9.922 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.294 9.841 9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.476 11.110 9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.596 10.239 10.801 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.430 9.202 10.157 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.903 9.493 10.190 1.00 0.00 C ATOM 1685 C LEU A 102 -8.553 8.861 11.423 1.00 0.00 C ATOM 1686 O LEU A 102 -8.828 9.526 12.398 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.555 8.920 8.919 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.874 9.508 7.676 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.483 8.891 6.414 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.081 11.031 7.643 1.00 0.00 C ATOM 0 H LEU A 102 -6.168 8.395 9.591 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.049 10.572 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.468 7.833 8.913 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.619 9.155 8.907 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.808 9.285 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.997 9.311 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.336 7.811 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.550 9.111 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.596 11.445 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.148 11.253 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.646 11.477 8.538 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.814 7.565 11.367 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.457 6.822 12.505 1.00 0.00 C ATOM 1704 C ASP A 103 -10.810 7.451 12.832 1.00 0.00 C ATOM 1705 O ASP A 103 -11.210 7.539 13.979 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.554 6.832 13.738 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.421 5.813 13.564 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.254 5.310 12.465 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.747 5.542 14.546 1.00 0.00 O ATOM 0 H ASP A 103 -8.601 6.982 10.558 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.608 5.785 12.205 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.139 7.829 13.887 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.136 6.593 14.628 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.527 7.885 11.821 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.858 8.525 12.037 1.00 0.00 C ATOM 1716 C GLN A 104 -13.835 7.511 12.624 1.00 0.00 C ATOM 1717 O GLN A 104 -14.177 6.506 12.011 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.385 9.045 10.698 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.514 10.219 10.244 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.021 10.755 8.903 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.201 10.948 8.720 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.162 11.014 7.951 1.00 0.00 N ATOM 0 H GLN A 104 -11.239 7.820 10.844 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.755 9.355 12.736 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.366 8.251 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.423 9.363 10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.535 11.010 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.477 9.898 10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.167 10.852 8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.488 11.378 7.056 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.290 7.781 13.819 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.240 6.868 14.509 1.00 0.00 C ATOM 1733 C ARG A 105 -16.593 6.906 13.812 1.00 0.00 C ATOM 1734 O ARG A 105 -17.371 5.980 13.903 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.412 7.324 15.968 1.00 0.00 C ATOM 1736 CG ARG A 105 -15.953 8.758 16.020 1.00 0.00 C ATOM 1737 CD ARG A 105 -16.062 9.209 17.486 1.00 0.00 C ATOM 1738 NE ARG A 105 -16.599 10.599 17.544 1.00 0.00 N ATOM 1739 CZ ARG A 105 -16.503 11.304 18.643 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -15.939 10.793 19.716 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -16.980 12.514 18.681 1.00 0.00 N ATOM 0 H ARG A 105 -14.037 8.612 14.353 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.847 5.852 14.480 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.095 6.652 16.488 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.455 7.270 16.488 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -15.292 9.428 15.470 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.930 8.808 15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -16.715 8.533 18.037 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -15.083 9.166 17.964 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.045 11.004 16.721 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.573 9.841 19.695 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.868 11.349 20.568 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.428 12.912 17.855 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -16.906 13.065 19.536 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.884 7.989 13.121 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.195 8.119 12.423 1.00 0.00 C ATOM 1757 C TYR A 106 -18.322 7.021 11.378 1.00 0.00 C ATOM 1758 O TYR A 106 -19.325 6.341 11.289 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.268 9.493 11.727 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.127 10.588 12.763 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.248 11.012 13.487 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.884 11.200 12.982 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.122 12.019 14.452 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.758 12.207 13.948 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.881 12.628 14.671 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.759 13.622 15.620 1.00 0.00 O ATOM 0 H TYR A 106 -16.261 8.789 13.014 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.004 8.030 13.148 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.477 9.578 10.982 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.216 9.596 11.199 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.212 10.562 13.301 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.023 10.895 12.405 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.983 12.326 15.027 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.795 12.658 14.135 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.831 13.937 15.646 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.292 6.837 10.582 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.313 5.784 9.533 1.00 0.00 C ATOM 1778 C LEU A 107 -17.341 4.425 10.203 1.00 0.00 C ATOM 1779 O LEU A 107 -18.026 3.515 9.780 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.040 5.909 8.677 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.086 7.213 7.870 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -14.742 7.427 7.167 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.209 7.137 6.819 1.00 0.00 C ATOM 0 H LEU A 107 -16.431 7.382 10.621 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.193 5.899 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.157 5.897 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.958 5.056 8.004 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.281 8.046 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -14.775 8.353 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.948 7.489 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -14.546 6.591 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.237 8.066 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.020 6.302 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.166 6.989 7.319 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.572 4.275 11.261 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.508 2.974 11.976 1.00 0.00 C ATOM 1797 C LEU A 108 -17.878 2.661 12.560 1.00 0.00 C ATOM 1798 O LEU A 108 -18.363 1.555 12.491 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.471 3.074 13.120 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.912 1.684 13.422 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.829 1.788 14.490 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -16.041 0.764 13.915 1.00 0.00 C ATOM 0 H LEU A 108 -15.985 5.010 11.656 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.214 2.184 11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.664 3.749 12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.937 3.492 14.012 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.482 1.265 12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.432 0.796 14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.025 2.431 14.132 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.254 2.212 15.400 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -15.637 -0.225 14.129 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -16.480 1.180 14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -16.808 0.684 13.144 1.00 0.00 H new ATOM 1814 N THR A 109 -18.520 3.651 13.146 1.00 0.00 N ATOM 1815 CA THR A 109 -19.867 3.435 13.758 1.00 0.00 C ATOM 1816 C THR A 109 -20.943 3.795 12.742 1.00 0.00 C ATOM 1817 O THR A 109 -22.124 3.675 12.999 1.00 0.00 O ATOM 1818 CB THR A 109 -20.014 4.320 15.002 1.00 0.00 C ATOM 1819 OG1 THR A 109 -19.996 5.694 14.626 1.00 0.00 O ATOM 1820 CG2 THR A 109 -18.861 4.042 15.973 1.00 0.00 C ATOM 0 H THR A 109 -18.162 4.603 13.224 1.00 0.00 H new ATOM 0 HA THR A 109 -19.975 2.390 14.048 1.00 0.00 H new ATOM 0 HB THR A 109 -20.963 4.093 15.489 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.089 5.947 14.353 1.00 0.00 H new ATOM 0 HG21 THR A 109 -18.969 4.672 16.856 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.881 2.994 16.271 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.912 4.262 15.484 1.00 0.00 H new ATOM 1828 N GLY A 110 -20.536 4.223 11.567 1.00 0.00 N ATOM 1829 CA GLY A 110 -21.511 4.570 10.497 1.00 0.00 C ATOM 1830 C GLY A 110 -22.081 5.962 10.722 1.00 0.00 C ATOM 1831 O GLY A 110 -21.700 6.669 11.641 1.00 0.00 O ATOM 0 H GLY A 110 -19.557 4.346 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.022 4.524 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.319 3.838 10.483 1.00 0.00 H new ATOM 1835 N GLY A 111 -22.994 6.360 9.876 1.00 0.00 N ATOM 1836 CA GLY A 111 -23.620 7.706 9.985 1.00 0.00 C ATOM 1837 C GLY A 111 -24.721 7.672 11.036 1.00 0.00 C ATOM 1838 O GLY A 111 -25.383 8.659 11.291 1.00 0.00 O ATOM 0 H GLY A 111 -23.337 5.795 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.868 8.447 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -24.032 8.006 9.021 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.925 6.526 11.647 1.00 0.00 N ATOM 1843 CA GLN A 112 -25.989 6.377 12.685 1.00 0.00 C ATOM 1844 C GLN A 112 -25.690 7.274 13.884 1.00 0.00 C ATOM 1845 O GLN A 112 -24.550 7.619 14.161 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.059 4.912 13.143 1.00 0.00 C ATOM 1847 CG GLN A 112 -26.748 4.070 12.063 1.00 0.00 C ATOM 1848 CD GLN A 112 -25.862 4.005 10.816 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -26.023 4.782 9.903 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -24.926 3.098 10.744 1.00 0.00 N ATOM 0 H GLN A 112 -24.389 5.677 11.465 1.00 0.00 H new ATOM 0 HA GLN A 112 -26.946 6.672 12.254 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -25.055 4.531 13.331 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -26.609 4.839 14.081 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -26.938 3.065 12.438 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -27.715 4.505 11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -24.790 2.443 11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -24.330 3.044 9.918 1.00 0.00 H new ATOM 1859 N LEU A 113 -26.723 7.663 14.588 1.00 0.00 N ATOM 1860 CA LEU A 113 -26.575 8.565 15.767 1.00 0.00 C ATOM 1861 C LEU A 113 -25.841 7.849 16.893 1.00 0.00 C ATOM 1862 O LEU A 113 -26.146 6.717 17.240 1.00 0.00 O ATOM 1863 CB LEU A 113 -27.965 9.007 16.257 1.00 0.00 C ATOM 1864 CG LEU A 113 -27.819 9.893 17.499 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -26.940 11.109 17.168 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -29.199 10.371 17.952 1.00 0.00 C ATOM 0 H LEU A 113 -27.684 7.386 14.389 1.00 0.00 H new ATOM 0 HA LEU A 113 -25.997 9.440 15.470 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -28.482 9.553 15.468 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -28.573 8.133 16.491 1.00 0.00 H new ATOM 0 HG LEU A 113 -27.353 9.317 18.298 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -26.839 11.736 18.053 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -25.955 10.770 16.849 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -27.402 11.685 16.366 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -29.094 11.001 18.835 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -29.667 10.944 17.151 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -29.822 9.509 18.193 1.00 0.00 H new ATOM 1878 N GLU A 114 -24.877 8.518 17.473 1.00 0.00 N ATOM 1879 CA GLU A 114 -24.072 7.931 18.583 1.00 0.00 C ATOM 1880 C GLU A 114 -24.946 7.693 19.813 1.00 0.00 C ATOM 1881 O GLU A 114 -25.769 8.513 20.191 1.00 0.00 O ATOM 1882 CB GLU A 114 -22.917 8.879 18.943 1.00 0.00 C ATOM 1883 CG GLU A 114 -23.464 10.197 19.512 1.00 0.00 C ATOM 1884 CD GLU A 114 -22.316 11.187 19.731 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -21.453 11.270 18.871 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -22.325 11.857 20.751 1.00 0.00 O ATOM 0 H GLU A 114 -24.610 9.468 17.216 1.00 0.00 H new ATOM 0 HA GLU A 114 -23.668 6.974 18.252 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -22.262 8.404 19.674 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -22.314 9.080 18.058 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -24.197 10.623 18.827 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -23.979 10.010 20.454 1.00 0.00 H new ATOM 1893 N HIS A 115 -24.763 6.554 20.436 1.00 0.00 N ATOM 1894 CA HIS A 115 -25.561 6.185 21.646 1.00 0.00 C ATOM 1895 C HIS A 115 -24.859 6.696 22.895 1.00 0.00 C ATOM 1896 O HIS A 115 -25.089 6.225 23.991 1.00 0.00 O ATOM 1897 CB HIS A 115 -25.703 4.658 21.724 1.00 0.00 C ATOM 1898 CG HIS A 115 -24.344 4.012 21.852 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -23.581 3.663 20.748 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -23.602 3.644 22.949 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -22.437 3.115 21.200 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -22.399 3.079 22.534 1.00 0.00 N ATOM 0 H HIS A 115 -24.081 5.852 20.151 1.00 0.00 H new ATOM 0 HA HIS A 115 -26.551 6.637 21.577 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -26.324 4.387 22.578 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -26.207 4.287 20.832 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -23.906 3.774 23.977 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.647 2.749 20.561 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.650 2.716 23.123 1.00 0.00 H new ATOM 1910 N HIS A 116 -23.998 7.671 22.726 1.00 0.00 N ATOM 1911 CA HIS A 116 -23.256 8.268 23.872 1.00 0.00 C ATOM 1912 C HIS A 116 -22.400 7.217 24.548 1.00 0.00 C ATOM 1913 O HIS A 116 -22.686 6.030 24.490 1.00 0.00 O ATOM 1914 CB HIS A 116 -24.243 8.872 24.871 1.00 0.00 C ATOM 1915 CG HIS A 116 -23.489 9.668 25.896 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -22.967 9.091 27.043 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -23.158 11.000 25.962 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -22.356 10.063 27.745 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -22.443 11.247 27.131 1.00 0.00 N ATOM 0 H HIS A 116 -23.777 8.084 21.820 1.00 0.00 H new ATOM 0 HA HIS A 116 -22.603 9.057 23.499 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -24.958 9.511 24.352 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -24.815 8.082 25.357 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -23.034 8.108 27.307 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -23.413 11.742 25.220 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -21.856 9.906 28.689 1.00 0.00 H new ATOM 1927 N HIS A 117 -21.338 7.645 25.181 1.00 0.00 N ATOM 1928 CA HIS A 117 -20.417 6.697 25.868 1.00 0.00 C ATOM 1929 C HIS A 117 -20.997 6.299 27.216 1.00 0.00 C ATOM 1930 O HIS A 117 -21.491 7.123 27.975 1.00 0.00 O ATOM 1931 CB HIS A 117 -19.044 7.356 26.080 1.00 0.00 C ATOM 1932 CG HIS A 117 -18.432 7.680 24.744 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -17.921 6.699 23.911 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -18.236 8.869 24.084 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -17.447 7.307 22.808 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -17.614 8.630 22.861 1.00 0.00 N ATOM 0 H HIS A 117 -21.068 8.626 25.251 1.00 0.00 H new ATOM 0 HA HIS A 117 -20.299 5.810 25.246 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.152 8.265 26.672 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.390 6.687 26.639 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -18.521 9.842 24.457 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -16.987 6.787 21.980 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -17.344 9.318 22.158 1.00 0.00 H new ATOM 1944 N HIS A 118 -20.936 5.033 27.519 1.00 0.00 N ATOM 1945 CA HIS A 118 -21.469 4.526 28.813 1.00 0.00 C ATOM 1946 C HIS A 118 -20.788 3.205 29.148 1.00 0.00 C ATOM 1947 O HIS A 118 -21.320 2.125 28.919 1.00 0.00 O ATOM 1948 CB HIS A 118 -22.977 4.319 28.707 1.00 0.00 C ATOM 1949 CG HIS A 118 -23.499 3.802 30.013 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -23.629 4.616 31.128 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -23.934 2.559 30.402 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -24.128 3.861 32.125 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -24.332 2.599 31.736 1.00 0.00 N ATOM 0 H HIS A 118 -20.533 4.317 26.915 1.00 0.00 H new ATOM 0 HA HIS A 118 -21.268 5.252 29.601 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -23.468 5.258 28.452 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -23.204 3.614 27.907 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -23.963 1.684 29.770 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -24.338 4.230 33.118 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -24.700 1.830 32.296 1.00 0.00 H new ATOM 1961 N HIS A 119 -19.599 3.283 29.703 1.00 0.00 N ATOM 1962 CA HIS A 119 -18.835 2.055 30.086 1.00 0.00 C ATOM 1963 C HIS A 119 -18.489 2.108 31.576 1.00 0.00 C ATOM 1964 O HIS A 119 -17.897 3.059 32.076 1.00 0.00 O ATOM 1965 CB HIS A 119 -17.547 1.964 29.265 1.00 0.00 C ATOM 1966 CG HIS A 119 -16.879 0.649 29.541 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -17.396 -0.551 29.076 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -15.742 0.324 30.236 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -16.577 -1.534 29.496 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -15.552 -1.056 30.207 1.00 0.00 N ATOM 0 H HIS A 119 -19.121 4.160 29.909 1.00 0.00 H new ATOM 0 HA HIS A 119 -19.450 1.177 29.886 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -17.772 2.056 28.202 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -16.879 2.786 29.522 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -15.092 1.031 30.731 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -16.730 -2.582 29.284 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.794 -1.587 30.636 1.00 0.00 H new ATOM 1978 N HIS A 120 -18.852 1.076 32.289 1.00 0.00 N ATOM 1979 CA HIS A 120 -18.563 0.998 33.752 1.00 0.00 C ATOM 1980 C HIS A 120 -18.730 -0.457 34.225 1.00 0.00 C ATOM 1981 O HIS A 120 -17.837 -1.250 33.965 1.00 0.00 O ATOM 1982 CB HIS A 120 -19.531 1.899 34.515 1.00 0.00 C ATOM 1983 CG HIS A 120 -19.236 1.814 35.984 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -18.099 2.381 36.538 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -19.918 1.242 37.029 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -18.131 2.143 37.863 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -19.219 1.451 38.216 1.00 0.00 N ATOM 1988 OXT HIS A 120 -19.742 -0.751 34.841 1.00 0.00 O ATOM 0 H HIS A 120 -19.347 0.267 31.912 1.00 0.00 H new ATOM 0 HA HIS A 120 -17.542 1.329 33.940 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -19.434 2.929 34.172 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -20.559 1.594 34.321 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -20.854 0.711 36.944 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.370 2.471 38.556 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -19.481 1.143 39.152 1.00 0.00 H new TER 1996 HIS A 120