USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -150:sc= -3.58! USER MOD Single : A 27 ASN : amide:sc= 0.18 K(o=0.18,f=-4.4!) USER MOD Single : A 28 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.17) USER MOD Single : A 29 SER OG : rot 150:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : A 42 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.959 K(o=-0.96,f=-5.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -167:sc= -0.011 (180deg=-0.259) USER MOD Single : A 49 THR OG1 : rot -129:sc= -6.86! USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0131 (180deg=-0.148) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.876 4.825 10.479 1.00 0.00 N ATOM 2 CA GLY A 17 -7.912 5.647 9.283 1.00 0.00 C ATOM 3 C GLY A 17 -6.804 5.314 8.302 1.00 0.00 C ATOM 4 O GLY A 17 -6.044 6.192 7.895 1.00 0.00 O ATOM 0 HA2 GLY A 17 -8.876 5.520 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.835 6.696 9.567 1.00 0.00 H new ATOM 8 N LEU A 18 -6.716 4.044 7.914 1.00 0.00 N ATOM 9 CA LEU A 18 -5.696 3.606 6.966 1.00 0.00 C ATOM 10 C LEU A 18 -6.242 3.649 5.542 1.00 0.00 C ATOM 11 O LEU A 18 -6.971 2.734 5.111 1.00 0.00 O ATOM 12 CB LEU A 18 -5.219 2.195 7.304 1.00 0.00 C ATOM 13 CG LEU A 18 -4.680 2.015 8.724 1.00 0.00 C ATOM 14 CD1 LEU A 18 -5.824 1.816 9.708 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.714 0.841 8.782 1.00 0.00 C ATOM 0 H LEU A 18 -7.336 3.303 8.240 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.847 4.286 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.048 1.503 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.438 1.913 6.597 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.140 2.919 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.422 1.690 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.478 2.687 9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.392 0.928 9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.340 0.727 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.231 -0.070 8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.878 1.024 8.107 1.00 0.00 H new ATOM 27 N MET A 19 -5.859 4.701 4.806 1.00 0.00 N ATOM 28 CA MET A 19 -6.291 4.867 3.419 1.00 0.00 C ATOM 29 C MET A 19 -5.132 4.508 2.525 1.00 0.00 C ATOM 30 O MET A 19 -4.021 5.011 2.725 1.00 0.00 O ATOM 31 CB MET A 19 -6.744 6.307 3.161 1.00 0.00 C ATOM 32 CG MET A 19 -8.057 6.406 2.403 1.00 0.00 C ATOM 33 SD MET A 19 -9.112 7.737 3.008 1.00 0.00 S ATOM 34 CE MET A 19 -9.702 8.429 1.466 1.00 0.00 C ATOM 0 H MET A 19 -5.253 5.446 5.150 1.00 0.00 H new ATOM 0 HA MET A 19 -7.141 4.216 3.212 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.846 6.823 4.116 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.969 6.827 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.850 6.565 1.345 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.591 5.459 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.369 9.266 1.674 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.855 8.779 0.876 1.00 0.00 H new ATOM 0 HE3 MET A 19 -10.242 7.665 0.907 1.00 0.00 H new ATOM 44 N VAL A 20 -5.333 3.603 1.585 1.00 0.00 N ATOM 45 CA VAL A 20 -4.223 3.178 0.764 1.00 0.00 C ATOM 46 C VAL A 20 -4.603 2.894 -0.676 1.00 0.00 C ATOM 47 O VAL A 20 -5.781 2.856 -1.032 1.00 0.00 O ATOM 48 CB VAL A 20 -3.638 1.895 1.378 1.00 0.00 C ATOM 49 CG1 VAL A 20 -3.386 2.094 2.864 1.00 0.00 C ATOM 50 CG2 VAL A 20 -4.573 0.711 1.160 1.00 0.00 C ATOM 0 H VAL A 20 -6.228 3.161 1.377 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.504 3.997 0.744 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.692 1.680 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.972 1.179 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.680 2.912 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.325 2.333 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.136 -0.184 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.535 0.916 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.717 0.553 0.091 1.00 0.00 H new ATOM 60 N GLU A 21 -3.593 2.596 -1.475 1.00 0.00 N ATOM 61 CA GLU A 21 -3.792 2.174 -2.852 1.00 0.00 C ATOM 62 C GLU A 21 -3.202 0.782 -2.896 1.00 0.00 C ATOM 63 O GLU A 21 -2.033 0.601 -2.541 1.00 0.00 O ATOM 64 CB GLU A 21 -3.077 3.093 -3.848 1.00 0.00 C ATOM 65 CG GLU A 21 -4.025 3.942 -4.679 1.00 0.00 C ATOM 66 CD GLU A 21 -4.495 3.232 -5.934 1.00 0.00 C ATOM 67 OE1 GLU A 21 -3.634 2.839 -6.751 1.00 0.00 O ATOM 68 OE2 GLU A 21 -5.721 3.071 -6.102 1.00 0.00 O ATOM 0 H GLU A 21 -2.615 2.639 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.844 2.206 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.398 3.749 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.466 2.486 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.890 4.213 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.527 4.871 -4.956 1.00 0.00 H new ATOM 75 N VAL A 22 -3.988 -0.218 -3.256 1.00 0.00 N ATOM 76 CA VAL A 22 -3.463 -1.574 -3.210 1.00 0.00 C ATOM 77 C VAL A 22 -3.677 -2.402 -4.455 1.00 0.00 C ATOM 78 O VAL A 22 -4.761 -2.422 -5.039 1.00 0.00 O ATOM 79 CB VAL A 22 -4.094 -2.343 -2.041 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.373 -3.665 -1.810 1.00 0.00 C ATOM 81 CG2 VAL A 22 -4.090 -1.498 -0.774 1.00 0.00 C ATOM 0 H VAL A 22 -4.954 -0.127 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.387 -1.436 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.130 -2.563 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.838 -4.192 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.439 -4.277 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.325 -3.472 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.542 -2.063 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.064 -1.240 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.661 -0.585 -0.943 1.00 0.00 H new ATOM 91 N VAL A 23 -2.645 -3.178 -4.778 1.00 0.00 N ATOM 92 CA VAL A 23 -2.717 -4.126 -5.860 1.00 0.00 C ATOM 93 C VAL A 23 -2.354 -5.508 -5.300 1.00 0.00 C ATOM 94 O VAL A 23 -1.243 -5.742 -4.818 1.00 0.00 O ATOM 95 CB VAL A 23 -1.754 -3.766 -7.007 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.287 -2.584 -7.801 1.00 0.00 C ATOM 97 CG2 VAL A 23 -0.363 -3.471 -6.464 1.00 0.00 C ATOM 0 H VAL A 23 -1.747 -3.160 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.726 -4.116 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.682 -4.621 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.593 -2.344 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.259 -2.838 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.391 -1.721 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.304 -3.219 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.414 -2.633 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.019 -4.350 -5.945 1.00 0.00 H new ATOM 107 N GLU A 24 -3.309 -6.414 -5.389 1.00 0.00 N ATOM 108 CA GLU A 24 -3.154 -7.780 -4.910 1.00 0.00 C ATOM 109 C GLU A 24 -3.936 -8.762 -5.781 1.00 0.00 C ATOM 110 O GLU A 24 -4.650 -8.366 -6.715 1.00 0.00 O ATOM 111 CB GLU A 24 -3.623 -7.887 -3.458 1.00 0.00 C ATOM 112 CG GLU A 24 -4.929 -7.158 -3.182 1.00 0.00 C ATOM 113 CD GLU A 24 -5.873 -7.960 -2.309 1.00 0.00 C ATOM 114 OE1 GLU A 24 -5.414 -8.936 -1.678 1.00 0.00 O ATOM 115 OE2 GLU A 24 -7.072 -7.611 -2.254 1.00 0.00 O ATOM 0 H GLU A 24 -4.223 -6.224 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.097 -8.038 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.743 -8.939 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.848 -7.486 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.713 -6.206 -2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.420 -6.930 -4.128 1.00 0.00 H new ATOM 122 N SER A 25 -3.798 -10.048 -5.472 1.00 0.00 N ATOM 123 CA SER A 25 -4.489 -11.096 -6.211 1.00 0.00 C ATOM 124 C SER A 25 -4.017 -11.158 -7.661 1.00 0.00 C ATOM 125 O SER A 25 -4.395 -10.320 -8.479 1.00 0.00 O ATOM 126 CB SER A 25 -6.003 -10.867 -6.168 1.00 0.00 C ATOM 127 OG SER A 25 -6.383 -10.157 -4.999 1.00 0.00 O ATOM 0 H SER A 25 -3.211 -10.389 -4.711 1.00 0.00 H new ATOM 0 HA SER A 25 -4.254 -12.048 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.314 -10.310 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.519 -11.826 -6.198 1.00 0.00 H new ATOM 0 HG SER A 25 -7.290 -10.419 -4.738 1.00 0.00 H new ATOM 133 N PRO A 26 -3.190 -12.164 -8.006 1.00 0.00 N ATOM 134 CA PRO A 26 -2.683 -12.336 -9.372 1.00 0.00 C ATOM 135 C PRO A 26 -3.793 -12.708 -10.355 1.00 0.00 C ATOM 136 O PRO A 26 -3.560 -12.798 -11.560 1.00 0.00 O ATOM 137 CB PRO A 26 -1.670 -13.486 -9.251 1.00 0.00 C ATOM 138 CG PRO A 26 -1.433 -13.659 -7.788 1.00 0.00 C ATOM 139 CD PRO A 26 -2.694 -13.214 -7.108 1.00 0.00 C ATOM 0 HA PRO A 26 -2.248 -11.414 -9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.061 -14.401 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.743 -13.249 -9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.207 -14.698 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.581 -13.064 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.409 -14.030 -7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.501 -12.832 -6.106 1.00 0.00 H new ATOM 147 N ASN A 27 -5.000 -12.923 -9.824 1.00 0.00 N ATOM 148 CA ASN A 27 -6.162 -13.288 -10.632 1.00 0.00 C ATOM 149 C ASN A 27 -6.190 -12.537 -11.962 1.00 0.00 C ATOM 150 O ASN A 27 -5.577 -11.478 -12.103 1.00 0.00 O ATOM 151 CB ASN A 27 -7.442 -12.995 -9.846 1.00 0.00 C ATOM 152 CG ASN A 27 -8.566 -13.952 -10.193 1.00 0.00 C ATOM 153 OD1 ASN A 27 -8.476 -14.710 -11.159 1.00 0.00 O ATOM 154 ND2 ASN A 27 -9.634 -13.921 -9.404 1.00 0.00 N ATOM 0 H ASN A 27 -5.196 -12.849 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.094 -14.353 -10.855 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.232 -13.058 -8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.763 -11.973 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.422 -14.542 -9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.666 -13.277 -8.614 1.00 0.00 H new ATOM 161 N HIS A 28 -6.906 -13.096 -12.935 1.00 0.00 N ATOM 162 CA HIS A 28 -7.018 -12.486 -14.256 1.00 0.00 C ATOM 163 C HIS A 28 -7.426 -11.019 -14.149 1.00 0.00 C ATOM 164 O HIS A 28 -6.777 -10.142 -14.719 1.00 0.00 O ATOM 165 CB HIS A 28 -8.037 -13.247 -15.105 1.00 0.00 C ATOM 166 CG HIS A 28 -7.817 -14.728 -15.122 1.00 0.00 C ATOM 167 ND1 HIS A 28 -8.795 -15.639 -14.781 1.00 0.00 N ATOM 168 CD2 HIS A 28 -6.722 -15.457 -15.442 1.00 0.00 C ATOM 169 CE1 HIS A 28 -8.312 -16.864 -14.891 1.00 0.00 C ATOM 170 NE2 HIS A 28 -7.057 -16.781 -15.292 1.00 0.00 N ATOM 0 H HIS A 28 -7.418 -13.972 -12.832 1.00 0.00 H new ATOM 0 HA HIS A 28 -6.040 -12.538 -14.735 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.038 -13.041 -14.727 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.999 -12.871 -16.127 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.764 -15.070 -15.756 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.852 -17.777 -14.688 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.436 -17.572 -15.463 1.00 0.00 H new ATOM 179 N SER A 29 -8.501 -10.761 -13.412 1.00 0.00 N ATOM 180 CA SER A 29 -8.991 -9.402 -13.230 1.00 0.00 C ATOM 181 C SER A 29 -8.168 -8.668 -12.176 1.00 0.00 C ATOM 182 O SER A 29 -7.945 -7.463 -12.277 1.00 0.00 O ATOM 183 CB SER A 29 -10.467 -9.415 -12.828 1.00 0.00 C ATOM 184 OG SER A 29 -11.295 -9.701 -13.942 1.00 0.00 O ATOM 0 H SER A 29 -9.048 -11.475 -12.932 1.00 0.00 H new ATOM 0 HA SER A 29 -8.889 -8.875 -14.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.629 -10.160 -12.049 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.741 -8.448 -12.406 1.00 0.00 H new ATOM 0 HG SER A 29 -12.103 -10.165 -13.638 1.00 0.00 H new ATOM 190 N GLU A 30 -7.716 -9.406 -11.165 1.00 0.00 N ATOM 191 CA GLU A 30 -6.912 -8.827 -10.095 1.00 0.00 C ATOM 192 C GLU A 30 -7.705 -7.772 -9.332 1.00 0.00 C ATOM 193 O GLU A 30 -8.558 -7.092 -9.903 1.00 0.00 O ATOM 194 CB GLU A 30 -5.636 -8.205 -10.675 1.00 0.00 C ATOM 195 CG GLU A 30 -4.676 -7.673 -9.624 1.00 0.00 C ATOM 196 CD GLU A 30 -4.045 -6.353 -10.027 1.00 0.00 C ATOM 197 OE1 GLU A 30 -3.149 -6.366 -10.897 1.00 0.00 O ATOM 198 OE2 GLU A 30 -4.447 -5.309 -9.473 1.00 0.00 O ATOM 0 H GLU A 30 -7.893 -10.406 -11.065 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.640 -9.622 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.121 -8.953 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.913 -7.391 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.209 -7.544 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.891 -8.408 -9.448 1.00 0.00 H new ATOM 205 N VAL A 31 -7.409 -7.625 -8.043 1.00 0.00 N ATOM 206 CA VAL A 31 -8.086 -6.632 -7.217 1.00 0.00 C ATOM 207 C VAL A 31 -7.108 -5.544 -6.848 1.00 0.00 C ATOM 208 O VAL A 31 -6.424 -5.591 -5.805 1.00 0.00 O ATOM 209 CB VAL A 31 -8.701 -7.262 -5.966 1.00 0.00 C ATOM 210 CG1 VAL A 31 -7.651 -7.643 -4.933 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.752 -6.351 -5.366 1.00 0.00 C ATOM 0 H VAL A 31 -6.708 -8.179 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.907 -6.202 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.184 -8.188 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.139 -8.086 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.958 -8.364 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.102 -6.752 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.175 -6.820 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.296 -5.400 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.542 -6.177 -6.096 1.00 0.00 H new ATOM 221 N GLY A 32 -7.104 -4.518 -7.649 1.00 0.00 N ATOM 222 CA GLY A 32 -6.258 -3.393 -7.384 1.00 0.00 C ATOM 223 C GLY A 32 -7.042 -2.133 -7.585 1.00 0.00 C ATOM 224 O GLY A 32 -7.388 -1.756 -8.683 1.00 0.00 O ATOM 0 H GLY A 32 -7.676 -4.438 -8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.878 -3.441 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.393 -3.408 -8.048 1.00 0.00 H new ATOM 228 N ILE A 33 -7.239 -1.419 -6.534 1.00 0.00 N ATOM 229 CA ILE A 33 -7.938 -0.187 -6.606 1.00 0.00 C ATOM 230 C ILE A 33 -7.680 0.613 -5.377 1.00 0.00 C ATOM 231 O ILE A 33 -6.835 0.268 -4.541 1.00 0.00 O ATOM 232 CB ILE A 33 -9.450 -0.295 -6.883 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.258 -0.573 -5.624 1.00 0.00 C ATOM 234 CG2 ILE A 33 -9.767 -1.315 -7.965 1.00 0.00 C ATOM 235 CD1 ILE A 33 -11.415 0.384 -5.425 1.00 0.00 C ATOM 0 H ILE A 33 -6.920 -1.673 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.540 0.320 -7.485 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.752 0.685 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.643 -1.592 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.598 -0.517 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.845 -1.354 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.274 -1.026 -8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.410 -2.297 -7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.947 0.127 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.036 1.403 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.097 0.312 -6.272 1.00 0.00 H new ATOM 247 N LYS A 34 -8.384 1.698 -5.301 1.00 0.00 N ATOM 248 CA LYS A 34 -8.291 2.539 -4.132 1.00 0.00 C ATOM 249 C LYS A 34 -9.040 1.753 -3.060 1.00 0.00 C ATOM 250 O LYS A 34 -10.190 1.369 -3.263 1.00 0.00 O ATOM 251 CB LYS A 34 -8.939 3.906 -4.373 1.00 0.00 C ATOM 252 CG LYS A 34 -7.986 4.935 -4.963 1.00 0.00 C ATOM 253 CD LYS A 34 -8.364 5.292 -6.393 1.00 0.00 C ATOM 254 CE LYS A 34 -9.078 6.634 -6.465 1.00 0.00 C ATOM 255 NZ LYS A 34 -8.222 7.686 -7.081 1.00 0.00 N ATOM 0 H LYS A 34 -9.026 2.027 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.260 2.756 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.789 3.783 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.331 4.285 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.995 5.835 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.969 4.544 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.466 5.323 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.007 4.514 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.995 6.527 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.369 6.945 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.744 8.585 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.358 7.807 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.965 7.402 -8.048 1.00 0.00 H new ATOM 269 N GLY A 35 -8.379 1.442 -1.963 1.00 0.00 N ATOM 270 CA GLY A 35 -8.998 0.618 -0.947 1.00 0.00 C ATOM 271 C GLY A 35 -8.634 0.984 0.472 1.00 0.00 C ATOM 272 O GLY A 35 -7.830 1.889 0.723 1.00 0.00 O ATOM 0 H GLY A 35 -7.427 1.743 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.081 0.681 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.720 -0.421 -1.122 1.00 0.00 H new ATOM 276 N GLU A 36 -9.249 0.259 1.401 1.00 0.00 N ATOM 277 CA GLU A 36 -9.023 0.479 2.827 1.00 0.00 C ATOM 278 C GLU A 36 -8.259 -0.687 3.448 1.00 0.00 C ATOM 279 O GLU A 36 -8.393 -1.836 3.005 1.00 0.00 O ATOM 280 CB GLU A 36 -10.355 0.675 3.552 1.00 0.00 C ATOM 281 CG GLU A 36 -10.253 1.557 4.787 1.00 0.00 C ATOM 282 CD GLU A 36 -11.096 1.044 5.939 1.00 0.00 C ATOM 283 OE1 GLU A 36 -12.299 1.376 5.986 1.00 0.00 O ATOM 284 OE2 GLU A 36 -10.553 0.313 6.793 1.00 0.00 O ATOM 0 H GLU A 36 -9.910 -0.489 1.192 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.421 1.381 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.074 1.114 2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.747 -0.299 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.211 1.617 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.568 2.569 4.533 1.00 0.00 H new ATOM 291 N VAL A 37 -7.455 -0.385 4.474 1.00 0.00 N ATOM 292 CA VAL A 37 -6.670 -1.427 5.145 1.00 0.00 C ATOM 293 C VAL A 37 -6.856 -1.420 6.657 1.00 0.00 C ATOM 294 O VAL A 37 -6.884 -0.372 7.297 1.00 0.00 O ATOM 295 CB VAL A 37 -5.167 -1.306 4.828 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.808 -2.145 3.612 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.781 0.146 4.613 1.00 0.00 C ATOM 0 H VAL A 37 -7.332 0.554 4.852 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.049 -2.371 4.753 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.604 -1.685 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.743 -2.047 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.044 -3.191 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.379 -1.800 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.716 0.210 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.351 0.554 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.998 0.718 5.515 1.00 0.00 H new ATOM 307 N VAL A 38 -6.963 -2.619 7.214 1.00 0.00 N ATOM 308 CA VAL A 38 -7.126 -2.804 8.645 1.00 0.00 C ATOM 309 C VAL A 38 -6.061 -3.761 9.175 1.00 0.00 C ATOM 310 O VAL A 38 -5.833 -4.830 8.603 1.00 0.00 O ATOM 311 CB VAL A 38 -8.525 -3.355 8.988 1.00 0.00 C ATOM 312 CG1 VAL A 38 -8.745 -4.708 8.329 1.00 0.00 C ATOM 313 CG2 VAL A 38 -8.708 -3.448 10.496 1.00 0.00 C ATOM 0 H VAL A 38 -6.939 -3.490 6.684 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.015 -1.829 9.119 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.273 -2.664 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.738 -5.079 8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.663 -4.603 7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.992 -5.412 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.701 -3.839 10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.954 -4.115 10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.601 -2.457 10.937 1.00 0.00 H new ATOM 323 N ASP A 39 -5.404 -3.362 10.258 1.00 0.00 N ATOM 324 CA ASP A 39 -4.353 -4.167 10.874 1.00 0.00 C ATOM 325 C ASP A 39 -3.095 -4.166 10.013 1.00 0.00 C ATOM 326 O ASP A 39 -2.784 -5.151 9.345 1.00 0.00 O ATOM 327 CB ASP A 39 -4.834 -5.603 11.105 1.00 0.00 C ATOM 328 CG ASP A 39 -6.118 -5.663 11.910 1.00 0.00 C ATOM 329 OD1 ASP A 39 -6.522 -4.618 12.464 1.00 0.00 O ATOM 330 OD2 ASP A 39 -6.720 -6.754 11.988 1.00 0.00 O ATOM 0 H ASP A 39 -5.582 -2.477 10.732 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.112 -3.722 11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.989 -6.090 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.057 -6.164 11.624 1.00 0.00 H new ATOM 335 N GLU A 40 -2.374 -3.049 10.036 1.00 0.00 N ATOM 336 CA GLU A 40 -1.147 -2.911 9.260 1.00 0.00 C ATOM 337 C GLU A 40 0.058 -3.401 10.055 1.00 0.00 C ATOM 338 O GLU A 40 0.702 -4.381 9.682 1.00 0.00 O ATOM 339 CB GLU A 40 -0.942 -1.451 8.848 1.00 0.00 C ATOM 340 CG GLU A 40 -0.235 -1.289 7.513 1.00 0.00 C ATOM 341 CD GLU A 40 1.249 -1.592 7.597 1.00 0.00 C ATOM 342 OE1 GLU A 40 1.958 -0.875 8.335 1.00 0.00 O ATOM 343 OE2 GLU A 40 1.700 -2.544 6.928 1.00 0.00 O ATOM 0 H GLU A 40 -2.619 -2.225 10.585 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.242 -3.525 8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.912 -0.957 8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.364 -0.942 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.696 -1.951 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.374 -0.269 7.154 1.00 0.00 H new ATOM 350 N THR A 41 0.356 -2.713 11.152 1.00 0.00 N ATOM 351 CA THR A 41 1.485 -3.080 12.001 1.00 0.00 C ATOM 352 C THR A 41 1.011 -3.797 13.263 1.00 0.00 C ATOM 353 O THR A 41 1.697 -3.792 14.285 1.00 0.00 O ATOM 354 CB THR A 41 2.293 -1.838 12.380 1.00 0.00 C ATOM 355 OG1 THR A 41 1.435 -0.789 12.790 1.00 0.00 O ATOM 356 CG2 THR A 41 3.152 -1.315 11.250 1.00 0.00 C ATOM 0 H THR A 41 -0.167 -1.899 11.474 1.00 0.00 H new ATOM 0 HA THR A 41 2.122 -3.761 11.436 1.00 0.00 H new ATOM 0 HB THR A 41 2.946 -2.155 13.193 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.970 -0.004 13.030 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.698 -0.434 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.859 -2.086 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.518 -1.048 10.404 1.00 0.00 H new ATOM 364 N GLN A 42 -0.163 -4.416 13.184 1.00 0.00 N ATOM 365 CA GLN A 42 -0.721 -5.139 14.321 1.00 0.00 C ATOM 366 C GLN A 42 -0.474 -6.637 14.179 1.00 0.00 C ATOM 367 O GLN A 42 0.431 -7.189 14.806 1.00 0.00 O ATOM 368 CB GLN A 42 -2.220 -4.862 14.443 1.00 0.00 C ATOM 369 CG GLN A 42 -2.541 -3.584 15.201 1.00 0.00 C ATOM 370 CD GLN A 42 -3.653 -2.782 14.551 1.00 0.00 C ATOM 371 OE1 GLN A 42 -3.489 -1.598 14.259 1.00 0.00 O ATOM 372 NE2 GLN A 42 -4.790 -3.427 14.319 1.00 0.00 N ATOM 0 H GLN A 42 -0.745 -4.431 12.346 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.224 -4.790 15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.653 -4.801 13.444 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.697 -5.703 14.946 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.828 -3.834 16.222 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.644 -2.969 15.264 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.881 -4.409 14.578 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.572 -2.940 13.882 1.00 0.00 H new ATOM 381 N ASN A 43 -1.277 -7.289 13.345 1.00 0.00 N ATOM 382 CA ASN A 43 -1.134 -8.725 13.116 1.00 0.00 C ATOM 383 C ASN A 43 -1.271 -9.040 11.624 1.00 0.00 C ATOM 384 O ASN A 43 -0.366 -8.743 10.842 1.00 0.00 O ATOM 385 CB ASN A 43 -2.158 -9.508 13.950 1.00 0.00 C ATOM 386 CG ASN A 43 -3.500 -8.805 14.041 1.00 0.00 C ATOM 387 OD1 ASN A 43 -3.794 -7.899 13.262 1.00 0.00 O ATOM 388 ND2 ASN A 43 -4.322 -9.222 14.999 1.00 0.00 N ATOM 0 H ASN A 43 -2.031 -6.849 12.818 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.139 -9.036 13.436 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.299 -10.496 13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.763 -9.659 14.955 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.238 -8.787 15.110 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.037 -9.977 15.623 1.00 0.00 H new ATOM 395 N THR A 44 -2.401 -9.616 11.217 1.00 0.00 N ATOM 396 CA THR A 44 -2.625 -9.923 9.811 1.00 0.00 C ATOM 397 C THR A 44 -3.123 -8.671 9.109 1.00 0.00 C ATOM 398 O THR A 44 -3.746 -7.817 9.740 1.00 0.00 O ATOM 399 CB THR A 44 -3.641 -11.057 9.660 1.00 0.00 C ATOM 400 OG1 THR A 44 -4.838 -10.752 10.352 1.00 0.00 O ATOM 401 CG2 THR A 44 -3.137 -12.385 10.178 1.00 0.00 C ATOM 0 H THR A 44 -3.168 -9.877 11.837 1.00 0.00 H new ATOM 0 HA THR A 44 -1.689 -10.251 9.359 1.00 0.00 H new ATOM 0 HB THR A 44 -3.816 -11.147 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.476 -11.488 10.242 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.906 -13.145 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.240 -12.673 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.900 -12.296 11.238 1.00 0.00 H new ATOM 409 N LEU A 45 -2.852 -8.544 7.816 1.00 0.00 N ATOM 410 CA LEU A 45 -3.291 -7.361 7.091 1.00 0.00 C ATOM 411 C LEU A 45 -4.437 -7.686 6.147 1.00 0.00 C ATOM 412 O LEU A 45 -4.313 -8.543 5.277 1.00 0.00 O ATOM 413 CB LEU A 45 -2.121 -6.762 6.304 1.00 0.00 C ATOM 414 CG LEU A 45 -1.644 -5.392 6.798 1.00 0.00 C ATOM 415 CD1 LEU A 45 -0.177 -5.440 7.199 1.00 0.00 C ATOM 416 CD2 LEU A 45 -1.881 -4.323 5.741 1.00 0.00 C ATOM 0 H LEU A 45 -2.342 -9.229 7.259 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.647 -6.633 7.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.283 -7.458 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.414 -6.673 5.258 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.227 -5.130 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.138 -4.456 7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.042 -6.167 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.426 -5.731 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.535 -3.359 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.333 -4.580 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.946 -4.264 5.516 1.00 0.00 H new ATOM 427 N LYS A 46 -5.545 -6.974 6.304 1.00 0.00 N ATOM 428 CA LYS A 46 -6.697 -7.175 5.439 1.00 0.00 C ATOM 429 C LYS A 46 -6.837 -5.975 4.519 1.00 0.00 C ATOM 430 O LYS A 46 -6.927 -4.838 4.987 1.00 0.00 O ATOM 431 CB LYS A 46 -7.972 -7.354 6.271 1.00 0.00 C ATOM 432 CG LYS A 46 -8.337 -8.808 6.522 1.00 0.00 C ATOM 433 CD LYS A 46 -8.902 -9.010 7.919 1.00 0.00 C ATOM 434 CE LYS A 46 -10.411 -9.194 7.890 1.00 0.00 C ATOM 435 NZ LYS A 46 -11.070 -8.581 9.077 1.00 0.00 N ATOM 0 H LYS A 46 -5.669 -6.256 7.018 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.550 -8.079 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.844 -6.850 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.801 -6.863 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.069 -9.133 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.454 -9.433 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.437 -9.883 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.651 -8.151 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.813 -8.747 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.646 -10.258 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.098 -8.729 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.705 -9.024 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.868 -7.561 9.098 1.00 0.00 H new ATOM 449 N ILE A 47 -6.844 -6.216 3.217 1.00 0.00 N ATOM 450 CA ILE A 47 -6.951 -5.127 2.260 1.00 0.00 C ATOM 451 C ILE A 47 -8.100 -5.347 1.293 1.00 0.00 C ATOM 452 O ILE A 47 -8.208 -6.409 0.681 1.00 0.00 O ATOM 453 CB ILE A 47 -5.639 -4.971 1.468 1.00 0.00 C ATOM 454 CG1 ILE A 47 -5.787 -3.916 0.366 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.206 -6.310 0.887 1.00 0.00 C ATOM 456 CD1 ILE A 47 -6.548 -4.394 -0.858 1.00 0.00 C ATOM 0 H ILE A 47 -6.778 -7.146 2.803 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.144 -4.216 2.826 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.863 -4.629 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.296 -3.045 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.794 -3.588 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.278 -6.182 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.049 -7.024 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.981 -6.684 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.607 -3.587 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.030 -5.245 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.555 -4.694 -0.566 1.00 0.00 H new ATOM 468 N MET A 48 -8.954 -4.344 1.134 1.00 0.00 N ATOM 469 CA MET A 48 -10.078 -4.466 0.208 1.00 0.00 C ATOM 470 C MET A 48 -10.046 -3.338 -0.818 1.00 0.00 C ATOM 471 O MET A 48 -10.017 -2.156 -0.434 1.00 0.00 O ATOM 472 CB MET A 48 -11.402 -4.437 0.976 1.00 0.00 C ATOM 473 CG MET A 48 -11.706 -3.093 1.622 1.00 0.00 C ATOM 474 SD MET A 48 -13.182 -3.140 2.656 1.00 0.00 S ATOM 475 CE MET A 48 -14.453 -3.397 1.420 1.00 0.00 C ATOM 0 H MET A 48 -8.895 -3.451 1.623 1.00 0.00 H new ATOM 0 HA MET A 48 -9.993 -5.418 -0.315 1.00 0.00 H new ATOM 0 HB2 MET A 48 -12.213 -4.694 0.294 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.380 -5.205 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 48 -10.853 -2.783 2.226 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.836 -2.341 0.844 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.433 -3.219 1.863 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.299 -2.706 0.591 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.401 -4.422 1.053 1.00 0.00 H new ATOM 485 N THR A 49 -10.043 -3.678 -2.126 1.00 0.00 N ATOM 486 CA THR A 49 -10.011 -2.648 -3.139 1.00 0.00 C ATOM 487 C THR A 49 -11.326 -2.607 -3.919 1.00 0.00 C ATOM 488 O THR A 49 -12.252 -1.891 -3.535 1.00 0.00 O ATOM 489 CB THR A 49 -8.805 -2.871 -4.052 1.00 0.00 C ATOM 490 OG1 THR A 49 -8.628 -4.246 -4.322 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.519 -2.360 -3.445 1.00 0.00 C ATOM 0 H THR A 49 -10.062 -4.635 -2.479 1.00 0.00 H new ATOM 0 HA THR A 49 -9.902 -1.673 -2.663 1.00 0.00 H new ATOM 0 HB THR A 49 -9.017 -2.317 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.699 -4.498 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.694 -2.543 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.605 -1.290 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.329 -2.878 -2.505 1.00 0.00 H new ATOM 499 N GLU A 50 -11.410 -3.353 -5.016 1.00 0.00 N ATOM 500 CA GLU A 50 -12.622 -3.361 -5.834 1.00 0.00 C ATOM 501 C GLU A 50 -13.092 -4.778 -6.117 1.00 0.00 C ATOM 502 O GLU A 50 -14.217 -5.141 -5.773 1.00 0.00 O ATOM 503 CB GLU A 50 -12.385 -2.616 -7.147 1.00 0.00 C ATOM 504 CG GLU A 50 -13.564 -2.674 -8.107 1.00 0.00 C ATOM 505 CD GLU A 50 -14.004 -1.299 -8.576 1.00 0.00 C ATOM 506 OE1 GLU A 50 -14.343 -0.460 -7.716 1.00 0.00 O ATOM 507 OE2 GLU A 50 -14.009 -1.065 -9.803 1.00 0.00 O ATOM 0 H GLU A 50 -10.662 -3.955 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.404 -2.852 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.159 -1.573 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.507 -3.035 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.294 -3.279 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.401 -3.172 -7.618 1.00 0.00 H new ATOM 514 N LYS A 51 -12.235 -5.587 -6.738 1.00 0.00 N ATOM 515 CA LYS A 51 -12.609 -6.966 -7.039 1.00 0.00 C ATOM 516 C LYS A 51 -13.054 -7.694 -5.768 1.00 0.00 C ATOM 517 O LYS A 51 -13.689 -8.745 -5.838 1.00 0.00 O ATOM 518 CB LYS A 51 -11.450 -7.719 -7.691 1.00 0.00 C ATOM 519 CG LYS A 51 -11.899 -8.844 -8.610 1.00 0.00 C ATOM 520 CD LYS A 51 -11.860 -8.424 -10.069 1.00 0.00 C ATOM 521 CE LYS A 51 -12.946 -9.117 -10.878 1.00 0.00 C ATOM 522 NZ LYS A 51 -14.302 -8.596 -10.550 1.00 0.00 N ATOM 0 H LYS A 51 -11.297 -5.319 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.442 -6.938 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.844 -7.015 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.810 -8.131 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.257 -9.712 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.912 -9.148 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.985 -7.344 -10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.883 -8.661 -10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.751 -8.978 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.913 -10.189 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.966 -8.854 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.625 -9.009 -9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.264 -7.560 -10.461 1.00 0.00 H new ATOM 536 N GLY A 52 -12.722 -7.122 -4.608 1.00 0.00 N ATOM 537 CA GLY A 52 -13.102 -7.728 -3.352 1.00 0.00 C ATOM 538 C GLY A 52 -12.117 -7.445 -2.233 1.00 0.00 C ATOM 539 O GLY A 52 -11.298 -6.519 -2.315 1.00 0.00 O ATOM 0 H GLY A 52 -12.198 -6.251 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.087 -7.362 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.189 -8.806 -3.487 1.00 0.00 H new ATOM 543 N LEU A 53 -12.210 -8.257 -1.184 1.00 0.00 N ATOM 544 CA LEU A 53 -11.347 -8.129 -0.020 1.00 0.00 C ATOM 545 C LEU A 53 -10.575 -9.426 0.214 1.00 0.00 C ATOM 546 O LEU A 53 -11.165 -10.498 0.344 1.00 0.00 O ATOM 547 CB LEU A 53 -12.187 -7.782 1.216 1.00 0.00 C ATOM 548 CG LEU A 53 -11.526 -8.061 2.571 1.00 0.00 C ATOM 549 CD1 LEU A 53 -10.312 -7.166 2.767 1.00 0.00 C ATOM 550 CD2 LEU A 53 -12.527 -7.864 3.700 1.00 0.00 C ATOM 0 H LEU A 53 -12.885 -9.019 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.631 -7.327 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.447 -6.724 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.121 -8.342 1.166 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.191 -9.098 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.856 -7.378 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.588 -7.356 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.621 -6.121 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.042 -8.066 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.892 -6.837 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.365 -8.548 3.567 1.00 0.00 H new ATOM 562 N LYS A 54 -9.255 -9.315 0.273 1.00 0.00 N ATOM 563 CA LYS A 54 -8.398 -10.467 0.497 1.00 0.00 C ATOM 564 C LYS A 54 -7.521 -10.260 1.732 1.00 0.00 C ATOM 565 O LYS A 54 -7.225 -9.124 2.117 1.00 0.00 O ATOM 566 CB LYS A 54 -7.524 -10.728 -0.732 1.00 0.00 C ATOM 567 CG LYS A 54 -8.052 -11.839 -1.628 1.00 0.00 C ATOM 568 CD LYS A 54 -8.218 -13.145 -0.863 1.00 0.00 C ATOM 569 CE LYS A 54 -7.424 -14.273 -1.502 1.00 0.00 C ATOM 570 NZ LYS A 54 -7.690 -15.583 -0.845 1.00 0.00 N ATOM 0 H LYS A 54 -8.754 -8.433 0.168 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.034 -11.335 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.445 -9.810 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.517 -10.985 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.011 -11.541 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.368 -11.990 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.891 -13.008 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.273 -13.416 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.676 -14.340 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.359 -14.047 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.129 -16.325 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.425 -15.528 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.701 -15.812 -0.924 1.00 0.00 H new ATOM 584 N VAL A 55 -7.109 -11.365 2.348 1.00 0.00 N ATOM 585 CA VAL A 55 -6.269 -11.312 3.538 1.00 0.00 C ATOM 586 C VAL A 55 -4.887 -11.896 3.268 1.00 0.00 C ATOM 587 O VAL A 55 -4.758 -13.019 2.778 1.00 0.00 O ATOM 588 CB VAL A 55 -6.909 -12.065 4.717 1.00 0.00 C ATOM 589 CG1 VAL A 55 -8.239 -11.433 5.098 1.00 0.00 C ATOM 590 CG2 VAL A 55 -7.087 -13.538 4.380 1.00 0.00 C ATOM 0 H VAL A 55 -7.344 -12.309 2.041 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.170 -10.259 3.801 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.240 -11.992 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.676 -11.980 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.079 -10.395 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.917 -11.471 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.541 -14.053 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.732 -13.636 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.115 -13.982 4.164 1.00 0.00 H new ATOM 600 N VAL A 56 -3.860 -11.126 3.599 1.00 0.00 N ATOM 601 CA VAL A 56 -2.481 -11.553 3.400 1.00 0.00 C ATOM 602 C VAL A 56 -1.577 -11.060 4.532 1.00 0.00 C ATOM 603 O VAL A 56 -2.011 -10.319 5.419 1.00 0.00 O ATOM 604 CB VAL A 56 -1.912 -11.048 2.054 1.00 0.00 C ATOM 605 CG1 VAL A 56 -0.950 -12.069 1.462 1.00 0.00 C ATOM 606 CG2 VAL A 56 -3.031 -10.730 1.069 1.00 0.00 C ATOM 0 H VAL A 56 -3.956 -10.197 4.009 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.495 -12.643 3.393 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.362 -10.127 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.560 -11.695 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.124 -12.235 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.476 -13.009 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.601 -10.377 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.619 -11.629 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.675 -9.956 1.487 1.00 0.00 H new ATOM 616 N ALA A 57 -0.318 -11.479 4.483 1.00 0.00 N ATOM 617 CA ALA A 57 0.665 -11.086 5.484 1.00 0.00 C ATOM 618 C ALA A 57 1.742 -10.213 4.850 1.00 0.00 C ATOM 619 O ALA A 57 1.745 -10.002 3.638 1.00 0.00 O ATOM 620 CB ALA A 57 1.285 -12.315 6.130 1.00 0.00 C ATOM 0 H ALA A 57 0.047 -12.094 3.756 1.00 0.00 H new ATOM 0 HA ALA A 57 0.162 -10.508 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.017 -12.004 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.505 -12.905 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.778 -12.918 5.367 1.00 0.00 H new ATOM 626 N LYS A 58 2.650 -9.703 5.673 1.00 0.00 N ATOM 627 CA LYS A 58 3.727 -8.850 5.183 1.00 0.00 C ATOM 628 C LYS A 58 4.719 -9.647 4.336 1.00 0.00 C ATOM 629 O LYS A 58 5.868 -9.841 4.730 1.00 0.00 O ATOM 630 CB LYS A 58 4.450 -8.186 6.357 1.00 0.00 C ATOM 631 CG LYS A 58 3.518 -7.420 7.284 1.00 0.00 C ATOM 632 CD LYS A 58 3.350 -5.976 6.839 1.00 0.00 C ATOM 633 CE LYS A 58 3.439 -5.013 8.012 1.00 0.00 C ATOM 634 NZ LYS A 58 4.715 -4.245 8.004 1.00 0.00 N ATOM 0 H LYS A 58 2.663 -9.864 6.680 1.00 0.00 H new ATOM 0 HA LYS A 58 3.287 -8.078 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.974 -8.950 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.207 -7.504 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.544 -7.910 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.913 -7.445 8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.118 -5.729 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.387 -5.858 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.598 -4.320 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.356 -5.569 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.737 -3.600 8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.517 -4.904 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.783 -3.694 7.125 1.00 0.00 H new ATOM 648 N ARG A 59 4.261 -10.103 3.168 1.00 0.00 N ATOM 649 CA ARG A 59 5.099 -10.876 2.254 1.00 0.00 C ATOM 650 C ARG A 59 4.275 -11.424 1.088 1.00 0.00 C ATOM 651 O ARG A 59 4.000 -12.622 1.017 1.00 0.00 O ATOM 652 CB ARG A 59 5.783 -12.028 2.994 1.00 0.00 C ATOM 653 CG ARG A 59 7.226 -11.726 3.355 1.00 0.00 C ATOM 654 CD ARG A 59 7.581 -12.251 4.737 1.00 0.00 C ATOM 655 NE ARG A 59 8.410 -11.308 5.483 1.00 0.00 N ATOM 656 CZ ARG A 59 9.636 -10.945 5.115 1.00 0.00 C ATOM 657 NH1 ARG A 59 10.186 -11.454 4.019 1.00 0.00 N ATOM 658 NH2 ARG A 59 10.316 -10.072 5.846 1.00 0.00 N ATOM 0 H ARG A 59 3.310 -9.948 2.834 1.00 0.00 H new ATOM 0 HA ARG A 59 5.863 -10.208 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.225 -12.250 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.749 -12.923 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.888 -12.174 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.392 -10.649 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.666 -12.450 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.109 -13.200 4.640 1.00 0.00 H new ATOM 0 HE ARG A 59 8.026 -10.904 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.668 -12.127 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.126 -11.172 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.899 -9.679 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.256 -9.793 5.564 1.00 0.00 H new ATOM 672 N GLY A 60 3.886 -10.536 0.176 1.00 0.00 N ATOM 673 CA GLY A 60 3.102 -10.948 -0.975 1.00 0.00 C ATOM 674 C GLY A 60 2.367 -9.787 -1.617 1.00 0.00 C ATOM 675 O GLY A 60 1.922 -8.871 -0.926 1.00 0.00 O ATOM 0 H GLY A 60 4.100 -9.539 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.758 -11.411 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.381 -11.706 -0.668 1.00 0.00 H new ATOM 679 N ARG A 61 2.240 -9.819 -2.942 1.00 0.00 N ATOM 680 CA ARG A 61 1.554 -8.751 -3.664 1.00 0.00 C ATOM 681 C ARG A 61 2.231 -7.409 -3.392 1.00 0.00 C ATOM 682 O ARG A 61 3.236 -7.354 -2.678 1.00 0.00 O ATOM 683 CB ARG A 61 0.089 -8.700 -3.244 1.00 0.00 C ATOM 684 CG ARG A 61 -0.718 -9.902 -3.710 1.00 0.00 C ATOM 685 CD ARG A 61 -0.686 -11.025 -2.684 1.00 0.00 C ATOM 686 NE ARG A 61 -0.548 -12.337 -3.312 1.00 0.00 N ATOM 687 CZ ARG A 61 -0.134 -13.426 -2.669 1.00 0.00 C ATOM 688 NH1 ARG A 61 0.182 -13.366 -1.382 1.00 0.00 N ATOM 689 NH2 ARG A 61 -0.036 -14.581 -3.316 1.00 0.00 N ATOM 0 H ARG A 61 2.601 -10.568 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 61 1.608 -8.955 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.033 -8.634 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.364 -7.792 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.750 -9.601 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.321 -10.263 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.144 -10.864 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.601 -11.001 -2.092 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.783 -12.423 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.108 -12.481 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.499 -14.204 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.278 -14.633 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.281 -15.416 -2.824 1.00 0.00 H new ATOM 703 N THR A 62 1.685 -6.325 -3.941 1.00 0.00 N ATOM 704 CA THR A 62 2.272 -5.007 -3.720 1.00 0.00 C ATOM 705 C THR A 62 1.240 -4.042 -3.154 1.00 0.00 C ATOM 706 O THR A 62 0.188 -3.831 -3.750 1.00 0.00 O ATOM 707 CB THR A 62 2.842 -4.453 -5.028 1.00 0.00 C ATOM 708 OG1 THR A 62 3.778 -5.357 -5.588 1.00 0.00 O ATOM 709 CG2 THR A 62 3.536 -3.119 -4.861 1.00 0.00 C ATOM 0 H THR A 62 0.853 -6.332 -4.531 1.00 0.00 H new ATOM 0 HA THR A 62 3.080 -5.113 -2.996 1.00 0.00 H new ATOM 0 HB THR A 62 1.982 -4.317 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.130 -4.987 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.917 -2.784 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.827 -2.386 -4.476 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.365 -3.225 -4.161 1.00 0.00 H new ATOM 717 N PHE A 63 1.540 -3.442 -2.007 1.00 0.00 N ATOM 718 CA PHE A 63 0.612 -2.494 -1.395 1.00 0.00 C ATOM 719 C PHE A 63 1.329 -1.202 -0.978 1.00 0.00 C ATOM 720 O PHE A 63 2.488 -1.226 -0.559 1.00 0.00 O ATOM 721 CB PHE A 63 -0.062 -3.096 -0.156 1.00 0.00 C ATOM 722 CG PHE A 63 -0.107 -4.597 -0.129 1.00 0.00 C ATOM 723 CD1 PHE A 63 -0.731 -5.303 -1.141 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.465 -5.300 0.919 1.00 0.00 C ATOM 725 CE1 PHE A 63 -0.781 -6.680 -1.112 1.00 0.00 C ATOM 726 CE2 PHE A 63 0.417 -6.679 0.956 1.00 0.00 C ATOM 727 CZ PHE A 63 -0.206 -7.371 -0.062 1.00 0.00 C ATOM 0 H PHE A 63 2.405 -3.591 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.143 -2.266 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.464 -2.746 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.081 -2.715 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.184 -4.769 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.955 -4.762 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.270 -7.219 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.866 -7.215 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.244 -8.450 -0.039 1.00 0.00 H new ATOM 737 N ARG A 64 0.613 -0.083 -1.054 1.00 0.00 N ATOM 738 CA ARG A 64 1.143 1.218 -0.638 1.00 0.00 C ATOM 739 C ARG A 64 0.190 1.799 0.401 1.00 0.00 C ATOM 740 O ARG A 64 -1.010 1.877 0.146 1.00 0.00 O ATOM 741 CB ARG A 64 1.273 2.160 -1.838 1.00 0.00 C ATOM 742 CG ARG A 64 2.648 2.796 -1.965 1.00 0.00 C ATOM 743 CD ARG A 64 2.844 3.914 -0.952 1.00 0.00 C ATOM 744 NE ARG A 64 2.994 5.217 -1.597 1.00 0.00 N ATOM 745 CZ ARG A 64 4.140 5.671 -2.099 1.00 0.00 C ATOM 746 NH1 ARG A 64 5.240 4.930 -2.038 1.00 0.00 N ATOM 747 NH2 ARG A 64 4.187 6.871 -2.663 1.00 0.00 N ATOM 0 H ARG A 64 -0.345 -0.049 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 64 2.139 1.098 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.052 1.606 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.524 2.947 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.416 2.036 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.775 3.191 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.992 3.942 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.727 3.705 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 64 2.170 5.815 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.210 4.007 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.115 5.284 -2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.345 7.445 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.065 7.220 -3.048 1.00 0.00 H new ATOM 761 N VAL A 65 0.689 2.152 1.587 1.00 0.00 N ATOM 762 CA VAL A 65 -0.198 2.644 2.643 1.00 0.00 C ATOM 763 C VAL A 65 0.088 4.069 3.132 1.00 0.00 C ATOM 764 O VAL A 65 1.240 4.467 3.332 1.00 0.00 O ATOM 765 CB VAL A 65 -0.157 1.693 3.859 1.00 0.00 C ATOM 766 CG1 VAL A 65 -1.192 2.088 4.905 1.00 0.00 C ATOM 767 CG2 VAL A 65 -0.361 0.252 3.415 1.00 0.00 C ATOM 0 H VAL A 65 1.677 2.109 1.837 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.184 2.671 2.179 1.00 0.00 H new ATOM 0 HB VAL A 65 0.827 1.777 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.138 1.400 5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.991 3.102 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.188 2.046 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.329 -0.405 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.329 0.156 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.429 -0.029 2.719 1.00 0.00 H new ATOM 777 N TRP A 66 -1.011 4.799 3.367 1.00 0.00 N ATOM 778 CA TRP A 66 -0.988 6.160 3.887 1.00 0.00 C ATOM 779 C TRP A 66 -1.823 6.238 5.175 1.00 0.00 C ATOM 780 O TRP A 66 -3.011 5.883 5.197 1.00 0.00 O ATOM 781 CB TRP A 66 -1.566 7.159 2.881 1.00 0.00 C ATOM 782 CG TRP A 66 -1.065 7.012 1.478 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.186 7.298 1.014 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.823 6.570 0.350 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.251 7.058 -0.338 1.00 0.00 N ATOM 786 CE2 TRP A 66 -0.971 6.609 -0.768 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.140 6.142 0.178 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -1.400 6.238 -2.039 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.566 5.772 -1.076 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.698 5.823 -2.174 1.00 0.00 C ATOM 0 H TRP A 66 -1.953 4.448 3.196 1.00 0.00 H new ATOM 0 HA TRP A 66 0.053 6.417 4.083 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.651 7.058 2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.342 8.168 3.226 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.004 7.659 1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.074 7.192 -0.925 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.816 6.102 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.733 6.276 -2.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.583 5.438 -1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.060 5.529 -3.148 1.00 0.00 H new ATOM 801 N TYR A 67 -1.182 6.718 6.236 1.00 0.00 N ATOM 802 CA TYR A 67 -1.823 6.868 7.536 1.00 0.00 C ATOM 803 C TYR A 67 -1.720 8.318 8.005 1.00 0.00 C ATOM 804 O TYR A 67 -1.084 9.144 7.351 1.00 0.00 O ATOM 805 CB TYR A 67 -1.166 5.936 8.561 1.00 0.00 C ATOM 806 CG TYR A 67 -2.131 5.233 9.501 1.00 0.00 C ATOM 807 CD1 TYR A 67 -3.474 5.597 9.577 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.689 4.201 10.320 1.00 0.00 C ATOM 809 CE1 TYR A 67 -4.340 4.953 10.438 1.00 0.00 C ATOM 810 CE2 TYR A 67 -2.553 3.553 11.183 1.00 0.00 C ATOM 811 CZ TYR A 67 -3.876 3.933 11.239 1.00 0.00 C ATOM 812 OH TYR A 67 -4.738 3.290 12.098 1.00 0.00 O ATOM 0 H TYR A 67 -0.206 7.013 6.218 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.875 6.600 7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.589 5.182 8.026 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.460 6.515 9.156 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.844 6.396 8.952 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.653 3.900 10.282 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.378 5.248 10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.192 2.752 11.811 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.252 2.595 12.590 1.00 0.00 H new ATOM 822 N LYS A 68 -2.343 8.626 9.140 1.00 0.00 N ATOM 823 CA LYS A 68 -2.308 9.978 9.684 1.00 0.00 C ATOM 824 C LYS A 68 -0.994 10.256 10.421 1.00 0.00 C ATOM 825 O LYS A 68 -0.842 11.299 11.057 1.00 0.00 O ATOM 826 CB LYS A 68 -3.492 10.198 10.631 1.00 0.00 C ATOM 827 CG LYS A 68 -4.592 11.063 10.038 1.00 0.00 C ATOM 828 CD LYS A 68 -5.944 10.748 10.658 1.00 0.00 C ATOM 829 CE LYS A 68 -6.199 11.589 11.898 1.00 0.00 C ATOM 830 NZ LYS A 68 -5.974 10.817 13.151 1.00 0.00 N ATOM 0 H LYS A 68 -2.876 7.959 9.698 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.378 10.673 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.911 9.230 10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.131 10.662 11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.354 12.115 10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.639 10.905 8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.732 10.929 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.988 9.691 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.544 12.460 11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.224 11.960 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.159 11.427 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.617 10.000 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.989 10.484 13.182 1.00 0.00 H new ATOM 844 N GLY A 69 -0.049 9.322 10.336 1.00 0.00 N ATOM 845 CA GLY A 69 1.228 9.497 11.003 1.00 0.00 C ATOM 846 C GLY A 69 2.393 9.555 10.033 1.00 0.00 C ATOM 847 O GLY A 69 3.378 10.250 10.279 1.00 0.00 O ATOM 0 H GLY A 69 -0.146 8.449 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.204 10.415 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.383 8.675 11.702 1.00 0.00 H new ATOM 851 N LYS A 70 2.284 8.821 8.926 1.00 0.00 N ATOM 852 CA LYS A 70 3.338 8.790 7.917 1.00 0.00 C ATOM 853 C LYS A 70 2.954 7.867 6.760 1.00 0.00 C ATOM 854 O LYS A 70 1.840 7.340 6.720 1.00 0.00 O ATOM 855 CB LYS A 70 4.659 8.328 8.545 1.00 0.00 C ATOM 856 CG LYS A 70 5.886 9.081 8.046 1.00 0.00 C ATOM 857 CD LYS A 70 5.695 10.589 8.116 1.00 0.00 C ATOM 858 CE LYS A 70 5.399 11.179 6.748 1.00 0.00 C ATOM 859 NZ LYS A 70 6.641 11.409 5.961 1.00 0.00 N ATOM 0 H LYS A 70 1.475 8.240 8.707 1.00 0.00 H new ATOM 0 HA LYS A 70 3.466 9.799 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.593 8.441 9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.792 7.265 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.753 8.797 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.097 8.789 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.877 10.821 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.593 11.051 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.740 10.507 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.865 12.122 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.395 11.812 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.259 12.070 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.138 10.506 5.825 1.00 0.00 H new ATOM 873 N ILE A 71 3.875 7.679 5.820 1.00 0.00 N ATOM 874 CA ILE A 71 3.628 6.823 4.665 1.00 0.00 C ATOM 875 C ILE A 71 4.686 5.731 4.548 1.00 0.00 C ATOM 876 O ILE A 71 5.881 5.992 4.693 1.00 0.00 O ATOM 877 CB ILE A 71 3.603 7.641 3.358 1.00 0.00 C ATOM 878 CG1 ILE A 71 2.632 8.816 3.488 1.00 0.00 C ATOM 879 CG2 ILE A 71 3.219 6.752 2.184 1.00 0.00 C ATOM 880 CD1 ILE A 71 2.532 9.660 2.236 1.00 0.00 C ATOM 0 H ILE A 71 4.800 8.108 5.836 1.00 0.00 H new ATOM 0 HA ILE A 71 2.653 6.361 4.818 1.00 0.00 H new ATOM 0 HB ILE A 71 4.601 8.038 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.643 8.433 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.948 9.448 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.206 7.344 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.946 5.946 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.230 6.328 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.826 10.474 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.512 10.073 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.186 9.042 1.407 1.00 0.00 H new ATOM 892 N MET A 72 4.241 4.508 4.278 1.00 0.00 N ATOM 893 CA MET A 72 5.153 3.374 4.137 1.00 0.00 C ATOM 894 C MET A 72 4.784 2.526 2.923 1.00 0.00 C ATOM 895 O MET A 72 3.640 2.549 2.466 1.00 0.00 O ATOM 896 CB MET A 72 5.130 2.515 5.403 1.00 0.00 C ATOM 897 CG MET A 72 5.680 3.224 6.630 1.00 0.00 C ATOM 898 SD MET A 72 7.442 3.581 6.493 1.00 0.00 S ATOM 899 CE MET A 72 7.918 3.601 8.220 1.00 0.00 C ATOM 0 H MET A 72 3.256 4.275 4.152 1.00 0.00 H new ATOM 0 HA MET A 72 6.160 3.764 3.990 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.104 2.204 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.709 1.608 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.135 4.156 6.781 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.506 2.606 7.511 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.985 3.810 8.301 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.356 4.374 8.743 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.703 2.631 8.668 1.00 0.00 H new ATOM 909 N ARG A 73 5.752 1.780 2.402 1.00 0.00 N ATOM 910 CA ARG A 73 5.516 0.926 1.241 1.00 0.00 C ATOM 911 C ARG A 73 5.952 -0.510 1.520 1.00 0.00 C ATOM 912 O ARG A 73 7.034 -0.745 2.057 1.00 0.00 O ATOM 913 CB ARG A 73 6.264 1.470 0.021 1.00 0.00 C ATOM 914 CG ARG A 73 7.764 1.603 0.235 1.00 0.00 C ATOM 915 CD ARG A 73 8.524 1.502 -1.078 1.00 0.00 C ATOM 916 NE ARG A 73 9.752 0.721 -0.940 1.00 0.00 N ATOM 917 CZ ARG A 73 10.889 1.209 -0.449 1.00 0.00 C ATOM 918 NH1 ARG A 73 10.960 2.469 -0.041 1.00 0.00 N ATOM 919 NH2 ARG A 73 11.960 0.432 -0.364 1.00 0.00 N ATOM 0 H ARG A 73 6.705 1.748 2.763 1.00 0.00 H new ATOM 0 HA ARG A 73 4.446 0.927 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.084 0.811 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.855 2.446 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.982 2.560 0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.106 0.824 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.885 1.043 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.769 2.503 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 73 9.737 -0.255 -1.237 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.140 3.072 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.835 2.835 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.912 -0.538 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.832 0.805 0.012 1.00 0.00 H new ATOM 933 N ILE A 74 5.106 -1.469 1.153 1.00 0.00 N ATOM 934 CA ILE A 74 5.420 -2.878 1.371 1.00 0.00 C ATOM 935 C ILE A 74 5.360 -3.670 0.066 1.00 0.00 C ATOM 936 O ILE A 74 4.343 -3.669 -0.628 1.00 0.00 O ATOM 937 CB ILE A 74 4.461 -3.514 2.397 1.00 0.00 C ATOM 938 CG1 ILE A 74 4.876 -4.956 2.698 1.00 0.00 C ATOM 939 CG2 ILE A 74 3.029 -3.462 1.888 1.00 0.00 C ATOM 940 CD1 ILE A 74 6.067 -5.060 3.627 1.00 0.00 C ATOM 0 H ILE A 74 4.205 -1.298 0.707 1.00 0.00 H new ATOM 0 HA ILE A 74 6.436 -2.918 1.763 1.00 0.00 H new ATOM 0 HB ILE A 74 4.517 -2.943 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.032 -5.484 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.111 -5.461 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.365 -3.915 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.738 -2.424 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.957 -4.010 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.306 -6.110 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.925 -4.561 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.829 -4.584 4.578 1.00 0.00 H new ATOM 952 N LYS A 75 6.455 -4.352 -0.256 1.00 0.00 N ATOM 953 CA LYS A 75 6.528 -5.153 -1.472 1.00 0.00 C ATOM 954 C LYS A 75 6.941 -6.589 -1.157 1.00 0.00 C ATOM 955 O LYS A 75 7.926 -6.824 -0.459 1.00 0.00 O ATOM 956 CB LYS A 75 7.518 -4.531 -2.459 1.00 0.00 C ATOM 957 CG LYS A 75 8.915 -4.352 -1.888 1.00 0.00 C ATOM 958 CD LYS A 75 9.800 -5.550 -2.194 1.00 0.00 C ATOM 959 CE LYS A 75 10.837 -5.768 -1.104 1.00 0.00 C ATOM 960 NZ LYS A 75 12.165 -5.207 -1.482 1.00 0.00 N ATOM 0 H LYS A 75 7.304 -4.366 0.309 1.00 0.00 H new ATOM 0 HA LYS A 75 5.536 -5.171 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.576 -5.160 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.138 -3.561 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.366 -3.450 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.853 -4.210 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.183 -6.443 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.301 -5.399 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.496 -5.302 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.937 -6.835 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.845 -5.376 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.503 -5.669 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.076 -4.184 -1.647 1.00 0.00 H new ATOM 974 N GLY A 76 6.180 -7.547 -1.677 1.00 0.00 N ATOM 975 CA GLY A 76 6.486 -8.947 -1.441 1.00 0.00 C ATOM 976 C GLY A 76 6.766 -9.700 -2.726 1.00 0.00 C ATOM 977 O GLY A 76 6.383 -9.258 -3.808 1.00 0.00 O ATOM 0 H GLY A 76 5.358 -7.380 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.352 -9.021 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.650 -9.417 -0.922 1.00 0.00 H new ATOM 981 N ASP A 77 7.436 -10.842 -2.608 1.00 0.00 N ATOM 982 CA ASP A 77 7.767 -11.656 -3.772 1.00 0.00 C ATOM 983 C ASP A 77 8.447 -12.957 -3.355 1.00 0.00 C ATOM 984 O ASP A 77 9.378 -13.420 -4.011 1.00 0.00 O ATOM 985 CB ASP A 77 8.672 -10.875 -4.728 1.00 0.00 C ATOM 986 CG ASP A 77 8.187 -10.935 -6.163 1.00 0.00 C ATOM 987 OD1 ASP A 77 7.079 -10.425 -6.437 1.00 0.00 O ATOM 988 OD2 ASP A 77 8.913 -11.493 -7.012 1.00 0.00 O ATOM 0 H ASP A 77 7.760 -11.224 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 77 6.838 -11.904 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.722 -9.834 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.685 -11.274 -4.673 1.00 0.00 H new TER 993 ASP A 77